---
_id: '9897'
article_number: '193104'
author:
- first_name: Maximilian
full_name: Protte, Maximilian
last_name: Protte
- first_name: Nils
full_name: Weber, Nils
last_name: Weber
- first_name: Christian
full_name: Golla, Christian
last_name: Golla
- first_name: Thomas
full_name: Zentgraf, Thomas
id: '30525'
last_name: Zentgraf
orcid: 0000-0002-8662-1101
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
citation:
ama: Protte M, Weber N, Golla C, Zentgraf T, Meier C. Strong nonlinear optical response
from ZnO by coupled and lattice-matched nanoantennas. Journal of Applied Physics.
2019;125. doi:10.1063/1.5093257
apa: Protte, M., Weber, N., Golla, C., Zentgraf, T., & Meier, C. (2019). Strong
nonlinear optical response from ZnO by coupled and lattice-matched nanoantennas.
Journal of Applied Physics, 125. https://doi.org/10.1063/1.5093257
bibtex: '@article{Protte_Weber_Golla_Zentgraf_Meier_2019, title={Strong nonlinear
optical response from ZnO by coupled and lattice-matched nanoantennas}, volume={125},
DOI={10.1063/1.5093257}, number={193104},
journal={Journal of Applied Physics}, author={Protte, Maximilian and Weber, Nils
and Golla, Christian and Zentgraf, Thomas and Meier, Cedrik}, year={2019} }'
chicago: Protte, Maximilian, Nils Weber, Christian Golla, Thomas Zentgraf, and Cedrik
Meier. “Strong Nonlinear Optical Response from ZnO by Coupled and Lattice-Matched
Nanoantennas.” Journal of Applied Physics 125 (2019). https://doi.org/10.1063/1.5093257.
ieee: M. Protte, N. Weber, C. Golla, T. Zentgraf, and C. Meier, “Strong nonlinear
optical response from ZnO by coupled and lattice-matched nanoantennas,” Journal
of Applied Physics, vol. 125, 2019.
mla: Protte, Maximilian, et al. “Strong Nonlinear Optical Response from ZnO by Coupled
and Lattice-Matched Nanoantennas.” Journal of Applied Physics, vol. 125,
193104, 2019, doi:10.1063/1.5093257.
short: M. Protte, N. Weber, C. Golla, T. Zentgraf, C. Meier, Journal of Applied
Physics 125 (2019).
date_created: 2019-05-21T08:35:49Z
date_updated: 2020-08-21T13:52:51Z
department:
- _id: '15'
- _id: '287'
- _id: '35'
- _id: '230'
- _id: '289'
doi: 10.1063/1.5093257
intvolume: ' 125'
language:
- iso: eng
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '56'
name: TRR 142 - Project Area C
- _id: '75'
name: TRR 142 - Subproject C5
publication: Journal of Applied Physics
publication_identifier:
issn:
- 0021-8979
- 1089-7550
publication_status: published
status: public
title: Strong nonlinear optical response from ZnO by coupled and lattice-matched nanoantennas
type: journal_article
user_id: '30525'
volume: 125
year: '2019'
...
---
_id: '12930'
article_number: '095009'
author:
- first_name: Ronja
full_name: Köthemann, Ronja
last_name: Köthemann
- first_name: Nils
full_name: Weber, Nils
last_name: Weber
- first_name: Jörg K N
full_name: Lindner, Jörg K N
last_name: Lindner
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
citation:
ama: 'Köthemann R, Weber N, Lindner JKN, Meier C. High-precision determination of
silicon nanocrystals: optical spectroscopy versus electron microscopy. Semiconductor
Science and Technology. 2019;34(9). doi:10.1088/1361-6641/ab3536'
apa: 'Köthemann, R., Weber, N., Lindner, J. K. N., & Meier, C. (2019). High-precision
determination of silicon nanocrystals: optical spectroscopy versus electron microscopy.
Semiconductor Science and Technology, 34(9). https://doi.org/10.1088/1361-6641/ab3536'
bibtex: '@article{Köthemann_Weber_Lindner_Meier_2019, title={High-precision determination
of silicon nanocrystals: optical spectroscopy versus electron microscopy}, volume={34},
DOI={10.1088/1361-6641/ab3536},
number={9095009}, journal={Semiconductor Science and Technology}, author={Köthemann,
Ronja and Weber, Nils and Lindner, Jörg K N and Meier, Cedrik}, year={2019} }'
chicago: 'Köthemann, Ronja, Nils Weber, Jörg K N Lindner, and Cedrik Meier. “High-Precision
Determination of Silicon Nanocrystals: Optical Spectroscopy versus Electron Microscopy.”
Semiconductor Science and Technology 34, no. 9 (2019). https://doi.org/10.1088/1361-6641/ab3536.'
ieee: 'R. Köthemann, N. Weber, J. K. N. Lindner, and C. Meier, “High-precision determination
of silicon nanocrystals: optical spectroscopy versus electron microscopy,” Semiconductor
Science and Technology, vol. 34, no. 9, 2019.'
mla: 'Köthemann, Ronja, et al. “High-Precision Determination of Silicon Nanocrystals:
Optical Spectroscopy versus Electron Microscopy.” Semiconductor Science and
Technology, vol. 34, no. 9, 095009, 2019, doi:10.1088/1361-6641/ab3536.'
short: R. Köthemann, N. Weber, J.K.N. Lindner, C. Meier, Semiconductor Science and
Technology 34 (2019).
date_created: 2019-08-14T11:12:33Z
date_updated: 2022-01-06T06:51:26Z
ddc:
- '530'
department:
- _id: '15'
- _id: '230'
- _id: '429'
- _id: '287'
doi: 10.1088/1361-6641/ab3536
intvolume: ' 34'
issue: '9'
language:
- iso: eng
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '56'
name: TRR 142 - Project Area C
- _id: '75'
name: TRR 142 - Subproject C5
publication: Semiconductor Science and Technology
publication_identifier:
issn:
- 0268-1242
- 1361-6641
publication_status: published
status: public
title: 'High-precision determination of silicon nanocrystals: optical spectroscopy
versus electron microscopy'
type: journal_article
user_id: '20798'
volume: 34
year: '2019'
...
---
_id: '14544'
author:
- first_name: J.
full_name: Vondran, J.
last_name: Vondran
- first_name: F.
full_name: Spitzer, F.
last_name: Spitzer
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
- first_name: I. A.
full_name: Akimov, I. A.
last_name: Akimov
- first_name: Alexander
full_name: Trautmann, Alexander
id: '38163'
last_name: Trautmann
- first_name: Matthias
full_name: Reichelt, Matthias
id: '138'
last_name: Reichelt
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
- first_name: N.
full_name: Weber, N.
last_name: Weber
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: R.
full_name: André, R.
last_name: André
- first_name: H.
full_name: Mariette, H.
last_name: Mariette
citation:
ama: Vondran J, Spitzer F, Bayer M, et al. Spatially asymmetric transients of propagating
exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. Physical
Review B. 2019;100(15):155308. doi:10.1103/physrevb.100.155308
apa: Vondran, J., Spitzer, F., Bayer, M., Akimov, I. A., Trautmann, A., Reichelt,
M., Meier, C., Weber, N., Meier, T., André, R., & Mariette, H. (2019). Spatially
asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe
guiding structure. Physical Review B, 100(15), 155308. https://doi.org/10.1103/physrevb.100.155308
bibtex: '@article{Vondran_Spitzer_Bayer_Akimov_Trautmann_Reichelt_Meier_Weber_Meier_André_et
al._2019, title={Spatially asymmetric transients of propagating exciton-polariton
modes in a planar CdZnTe/CdMgTe guiding structure}, volume={100}, DOI={10.1103/physrevb.100.155308},
number={15}, journal={Physical Review B}, author={Vondran, J. and Spitzer, F.
and Bayer, M. and Akimov, I. A. and Trautmann, Alexander and Reichelt, Matthias
and Meier, Cedrik and Weber, N. and Meier, Torsten and André, R. and et al.},
year={2019}, pages={155308} }'
chicago: 'Vondran, J., F. Spitzer, M. Bayer, I. A. Akimov, Alexander Trautmann,
Matthias Reichelt, Cedrik Meier, et al. “Spatially Asymmetric Transients of Propagating
Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” Physical
Review B 100, no. 15 (2019): 155308. https://doi.org/10.1103/physrevb.100.155308.'
ieee: 'J. Vondran et al., “Spatially asymmetric transients of propagating
exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” Physical
Review B, vol. 100, no. 15, p. 155308, 2019, doi: 10.1103/physrevb.100.155308.'
mla: Vondran, J., et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton
Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” Physical Review B,
vol. 100, no. 15, 2019, p. 155308, doi:10.1103/physrevb.100.155308.
short: J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt,
C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019)
155308.
date_created: 2019-11-05T13:30:07Z
date_updated: 2023-04-16T01:54:53Z
department:
- _id: '15'
- _id: '230'
- _id: '287'
- _id: '35'
- _id: '293'
- _id: '170'
- _id: '429'
doi: 10.1103/physrevb.100.155308
intvolume: ' 100'
issue: '15'
language:
- iso: eng
page: '155308'
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '53'
name: TRR 142
- _id: '54'
name: TRR 142 - Project Area A
- _id: '59'
name: TRR 142 - Subproject A2
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Spatially asymmetric transients of propagating exciton-polariton modes in a
planar CdZnTe/CdMgTe guiding structure
type: journal_article
user_id: '49063'
volume: 100
year: '2019'
...
---
_id: '10014'
abstract:
- lang: eng
text: The cubic, tetragonal, and orthorhombic phase of potassium niobate (KNbO3)
are studied based on density-functional theory. Starting from the relaxed atomic
geometries, we analyze the influence of self-energy corrections on the electronic
band structure within the GW approximation. We find that quasiparticle shifts
widen the direct (indirect) band gap by 1.21 (1.44), 1.58 (1.55), and 1.67 (1.64)
eV for the cubic, tetragonal, and orthorhombic phase, respectively. By solving
the Bethe-Salpeter equation, we obtain the linear dielectric function with excitonic
and local-field effects, which turn out to be essential for good agreement with
experimental data. From our results, we extract an exciton binding energy of 0.6,
0.5, and 0.5 eV for the cubic, tetragonal, and orthorhombic phase, respectively.
Furthermore, we investigate the nonlinear second-harmonic generation (SHG) both
theoretically and experimentally. The frequency-dependent second-order polarization
tensor of orthorhombic KNbO3 is measured for incoming photon energies between
1.2 and 1.6 eV. In addition, calculations within the independent-(quasi)particle
approximation are performed for the tetragonal and orthorhombic phase. The novel
experimental data are in excellent agreement with the quasiparticle calculations
and resolve persistent discrepancies between earlier experimental measurements
and ab initio results reported in the literature.
article_number: '054401'
article_type: original
author:
- first_name: Falko
full_name: Schmidt, Falko
id: '35251'
last_name: Schmidt
orcid: 0000-0002-5071-5528
- first_name: Arthur
full_name: Riefer, Arthur
last_name: Riefer
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Mirco
full_name: Imlau, Mirco
last_name: Imlau
- first_name: Florian
full_name: Dobener, Florian
last_name: Dobener
- first_name: Nils
full_name: Mengel, Nils
last_name: Mengel
- first_name: Sangam
full_name: Chatterjee, Sangam
last_name: Chatterjee
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Schmidt F, Riefer A, Schmidt WG, et al. Quasiparticle and excitonic effects
in the optical response of KNbO3. Physical Review Materials. 2019;3(5).
doi:10.1103/PhysRevMaterials.3.054401
apa: Schmidt, F., Riefer, A., Schmidt, W. G., Schindlmayr, A., Imlau, M., Dobener,
F., Mengel, N., Chatterjee, S., & Sanna, S. (2019). Quasiparticle and excitonic
effects in the optical response of KNbO3. Physical Review Materials, 3(5),
Article 054401. https://doi.org/10.1103/PhysRevMaterials.3.054401
bibtex: '@article{Schmidt_Riefer_Schmidt_Schindlmayr_Imlau_Dobener_Mengel_Chatterjee_Sanna_2019,
title={Quasiparticle and excitonic effects in the optical response of KNbO3},
volume={3}, DOI={10.1103/PhysRevMaterials.3.054401},
number={5054401}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Schmidt, Falko and Riefer, Arthur and Schmidt, Wolf Gero and
Schindlmayr, Arno and Imlau, Mirco and Dobener, Florian and Mengel, Nils and Chatterjee,
Sangam and Sanna, Simone}, year={2019} }'
chicago: Schmidt, Falko, Arthur Riefer, Wolf Gero Schmidt, Arno Schindlmayr, Mirco
Imlau, Florian Dobener, Nils Mengel, Sangam Chatterjee, and Simone Sanna. “Quasiparticle
and Excitonic Effects in the Optical Response of KNbO3.” Physical Review Materials
3, no. 5 (2019). https://doi.org/10.1103/PhysRevMaterials.3.054401.
ieee: 'F. Schmidt et al., “Quasiparticle and excitonic effects in the optical
response of KNbO3,” Physical Review Materials, vol. 3, no. 5, Art. no.
054401, 2019, doi: 10.1103/PhysRevMaterials.3.054401.'
mla: Schmidt, Falko, et al. “Quasiparticle and Excitonic Effects in the Optical
Response of KNbO3.” Physical Review Materials, vol. 3, no. 5, 054401, American
Physical Society, 2019, doi:10.1103/PhysRevMaterials.3.054401.
short: F. Schmidt, A. Riefer, W.G. Schmidt, A. Schindlmayr, M. Imlau, F. Dobener,
N. Mengel, S. Chatterjee, S. Sanna, Physical Review Materials 3 (2019).
date_created: 2019-05-29T06:55:29Z
date_updated: 2023-04-20T14:20:33Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '170'
- _id: '35'
doi: 10.1103/PhysRevMaterials.3.054401
external_id:
isi:
- '000467044000003'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-27T19:05:54Z
date_updated: 2020-08-30T14:34:33Z
description: © 2019 American Physical Society
file_id: '18465'
file_name: PhysRevMaterials.3.054401.pdf
file_size: 1949504
relation: main_file
title: Quasiparticle and excitonic effects in the optical response of KNbO3
file_date_updated: 2020-08-30T14:34:33Z
has_accepted_license: '1'
intvolume: ' 3'
isi: '1'
issue: '5'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review Materials
publication_identifier:
eissn:
- 2475-9953
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Quasiparticle and excitonic effects in the optical response of KNbO3
type: journal_article
user_id: '16199'
volume: 3
year: '2019'
...
---
_id: '29746'
article_number: '155107'
author:
- first_name: C. W.
full_name: Nicholson, C. W.
last_name: Nicholson
- first_name: M.
full_name: Puppin, M.
last_name: Puppin
- first_name: A.
full_name: Lücke, A.
last_name: Lücke
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Marvin
full_name: Krenz, Marvin
id: '52309'
last_name: Krenz
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: L.
full_name: Rettig, L.
last_name: Rettig
- first_name: R.
full_name: Ernstorfer, R.
last_name: Ernstorfer
- first_name: M.
full_name: Wolf, M.
last_name: Wolf
citation:
ama: Nicholson CW, Puppin M, Lücke A, et al. Excited-state band mapping and momentum-resolved
ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based
time- and angle-resolved photoemission spectroscopy. Physical Review B.
2019;99(15). doi:10.1103/physrevb.99.155107
apa: Nicholson, C. W., Puppin, M., Lücke, A., Gerstmann, U., Krenz, M., Schmidt,
W. G., Rettig, L., Ernstorfer, R., & Wolf, M. (2019). Excited-state band mapping
and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated
with XUV-based time- and angle-resolved photoemission spectroscopy. Physical
Review B, 99(15), Article 155107. https://doi.org/10.1103/physrevb.99.155107
bibtex: '@article{Nicholson_Puppin_Lücke_Gerstmann_Krenz_Schmidt_Rettig_Ernstorfer_Wolf_2019,
title={Excited-state band mapping and momentum-resolved ultrafast population dynamics
in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission
spectroscopy}, volume={99}, DOI={10.1103/physrevb.99.155107},
number={15155107}, journal={Physical Review B}, publisher={American Physical Society
(APS)}, author={Nicholson, C. W. and Puppin, M. and Lücke, A. and Gerstmann, Uwe
and Krenz, Marvin and Schmidt, Wolf Gero and Rettig, L. and Ernstorfer, R. and
Wolf, M.}, year={2019} }'
chicago: Nicholson, C. W., M. Puppin, A. Lücke, Uwe Gerstmann, Marvin Krenz, Wolf
Gero Schmidt, L. Rettig, R. Ernstorfer, and M. Wolf. “Excited-State Band Mapping
and Momentum-Resolved Ultrafast Population Dynamics in In/Si(111) Nanowires Investigated
with XUV-Based Time- and Angle-Resolved Photoemission Spectroscopy.” Physical
Review B 99, no. 15 (2019). https://doi.org/10.1103/physrevb.99.155107.
ieee: 'C. W. Nicholson et al., “Excited-state band mapping and momentum-resolved
ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based
time- and angle-resolved photoemission spectroscopy,” Physical Review B,
vol. 99, no. 15, Art. no. 155107, 2019, doi: 10.1103/physrevb.99.155107.'
mla: Nicholson, C. W., et al. “Excited-State Band Mapping and Momentum-Resolved
Ultrafast Population Dynamics in In/Si(111) Nanowires Investigated with XUV-Based
Time- and Angle-Resolved Photoemission Spectroscopy.” Physical Review B,
vol. 99, no. 15, 155107, American Physical Society (APS), 2019, doi:10.1103/physrevb.99.155107.
short: C.W. Nicholson, M. Puppin, A. Lücke, U. Gerstmann, M. Krenz, W.G. Schmidt,
L. Rettig, R. Ernstorfer, M. Wolf, Physical Review B 99 (2019).
date_created: 2022-02-03T15:26:06Z
date_updated: 2023-04-20T14:22:46Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevb.99.155107
intvolume: ' 99'
issue: '15'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
name: 'TRR 142: TRR 142'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '69'
name: 'TRR 142 - B4: TRR 142 - Subproject B4'
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Excited-state band mapping and momentum-resolved ultrafast population dynamics
in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission
spectroscopy
type: journal_article
user_id: '16199'
volume: 99
year: '2019'
...
---
_id: '10015'
author:
- first_name: Christof
full_name: Dues, Christof
last_name: Dues
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Dues C, Schmidt WG, Sanna S. Water Splitting Reaction at Polar Lithium Niobate
Surfaces. ACS Omega. Published online 2019:3850-3859. doi:10.1021/acsomega.8b03271
apa: Dues, C., Schmidt, W. G., & Sanna, S. (2019). Water Splitting Reaction
at Polar Lithium Niobate Surfaces. ACS Omega, 3850–3859. https://doi.org/10.1021/acsomega.8b03271
bibtex: '@article{Dues_Schmidt_Sanna_2019, title={Water Splitting Reaction at Polar
Lithium Niobate Surfaces}, DOI={10.1021/acsomega.8b03271},
journal={ACS Omega}, author={Dues, Christof and Schmidt, Wolf Gero and Sanna,
Simone}, year={2019}, pages={3850–3859} }'
chicago: Dues, Christof, Wolf Gero Schmidt, and Simone Sanna. “Water Splitting Reaction
at Polar Lithium Niobate Surfaces.” ACS Omega, 2019, 3850–59. https://doi.org/10.1021/acsomega.8b03271.
ieee: 'C. Dues, W. G. Schmidt, and S. Sanna, “Water Splitting Reaction at Polar
Lithium Niobate Surfaces,” ACS Omega, pp. 3850–3859, 2019, doi: 10.1021/acsomega.8b03271.'
mla: Dues, Christof, et al. “Water Splitting Reaction at Polar Lithium Niobate Surfaces.”
ACS Omega, 2019, pp. 3850–59, doi:10.1021/acsomega.8b03271.
short: C. Dues, W.G. Schmidt, S. Sanna, ACS Omega (2019) 3850–3859.
date_created: 2019-05-29T07:15:06Z
date_updated: 2023-04-20T14:21:28Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
doi: 10.1021/acsomega.8b03271
funded_apc: '1'
language:
- iso: eng
page: 3850-3859
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: ACS Omega
publication_identifier:
issn:
- 2470-1343
- 2470-1343
publication_status: published
status: public
title: Water Splitting Reaction at Polar Lithium Niobate Surfaces
type: journal_article
user_id: '16199'
year: '2019'
...
---
_id: '13365'
abstract:
- lang: eng
text: 'The KTiOPO4 (KTP) band structure and dielectric function are calculated on
various levels of theory starting from density-functional calculations. Within
the independent-particle approximation an electronic transport gap of 2.97 eV
is obtained that widens to about 5.23 eV when quasiparticle effects are included
using the GW approximation. The optical response is shown to be strongly anisotropic
due to (i) the slight asymmetry of the TiO6 octahedra in the (001) plane and (ii)
their anisotropic distribution along the [001] and [100] directions. In addition,
excitonic effects are very important: The solution of the Bethe–Salpeter equation
indicates exciton binding energies of the order of 1.5 eV. Calculations that include
both quasiparticle and excitonic effects are in good agreement with the measured
reflectivity.'
article_type: original
author:
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Adriana
full_name: Bocchini, Adriana
id: '58349'
last_name: Bocchini
orcid: https://orcid.org/0000-0002-2134-3075
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Neufeld S, Bocchini A, Gerstmann U, Schindlmayr A, Schmidt WG. Potassium titanyl
phosphate (KTP) quasiparticle energies and optical response. Journal of Physics:
Materials. 2019;2:045003. doi:10.1088/2515-7639/ab29ba'
apa: 'Neufeld, S., Bocchini, A., Gerstmann, U., Schindlmayr, A., & Schmidt,
W. G. (2019). Potassium titanyl phosphate (KTP) quasiparticle energies and optical
response. Journal of Physics: Materials, 2, 045003. https://doi.org/10.1088/2515-7639/ab29ba'
bibtex: '@article{Neufeld_Bocchini_Gerstmann_Schindlmayr_Schmidt_2019, title={Potassium
titanyl phosphate (KTP) quasiparticle energies and optical response}, volume={2},
DOI={10.1088/2515-7639/ab29ba},
journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Neufeld,
Sergej and Bocchini, Adriana and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt,
Wolf Gero}, year={2019}, pages={045003} }'
chicago: 'Neufeld, Sergej, Adriana Bocchini, Uwe Gerstmann, Arno Schindlmayr, and
Wolf Gero Schmidt. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies and
Optical Response.” Journal of Physics: Materials 2 (2019): 045003. https://doi.org/10.1088/2515-7639/ab29ba.'
ieee: 'S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt,
“Potassium titanyl phosphate (KTP) quasiparticle energies and optical response,”
Journal of Physics: Materials, vol. 2, p. 045003, 2019, doi: 10.1088/2515-7639/ab29ba.'
mla: 'Neufeld, Sergej, et al. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies
and Optical Response.” Journal of Physics: Materials, vol. 2, IOP Publishing,
2019, p. 045003, doi:10.1088/2515-7639/ab29ba.'
short: 'S. Neufeld, A. Bocchini, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Journal
of Physics: Materials 2 (2019) 045003.'
date_created: 2019-09-19T14:34:16Z
date_updated: 2023-04-21T11:36:12Z
ddc:
- '530'
department:
- _id: '296'
- _id: '295'
- _id: '230'
- _id: '429'
- _id: '170'
- _id: '35'
doi: 10.1088/2515-7639/ab29ba
external_id:
isi:
- '000560410300003'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T09:07:18Z
date_updated: 2020-08-30T14:29:27Z
description: Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)
file_id: '18535'
file_name: Neufeld_2019_J._Phys._Mater._2_045003.pdf
file_size: 1481174
relation: main_file
title: Potassium titanyl phosphate (KTP) quasiparticle energies and optical response
file_date_updated: 2020-08-30T14:29:27Z
has_accepted_license: '1'
intvolume: ' 2'
isi: '1'
language:
- iso: eng
oa: '1'
page: '045003'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 'Journal of Physics: Materials'
publication_identifier:
eissn:
- 2515-7639
publication_status: published
publisher: IOP Publishing
quality_controlled: '1'
status: public
title: Potassium titanyl phosphate (KTP) quasiparticle energies and optical response
type: journal_article
user_id: '171'
volume: 2
year: '2019'
...
---
_id: '22887'
author:
- first_name: J.
full_name: Vondran, J.
last_name: Vondran
- first_name: F.
full_name: Spitzer, F.
last_name: Spitzer
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
- first_name: I. A.
full_name: Akimov, I. A.
last_name: Akimov
- first_name: Alexander
full_name: Trautmann, Alexander
id: '38163'
last_name: Trautmann
- first_name: Matthias
full_name: Reichelt, Matthias
id: '138'
last_name: Reichelt
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
- first_name: N.
full_name: Weber, N.
last_name: Weber
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: R.
full_name: André, R.
last_name: André
- first_name: H.
full_name: Mariette, H.
last_name: Mariette
citation:
ama: Vondran J, Spitzer F, Bayer M, et al. Spatially asymmetric transients of propagating
exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. Physical
Review B. 2019;100(15):155308. doi:10.1103/physrevb.100.155308
apa: Vondran, J., Spitzer, F., Bayer, M., Akimov, I. A., Trautmann, A., Reichelt,
M., Meier, C., Weber, N., Meier, T., André, R., & Mariette, H. (2019). Spatially
asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe
guiding structure. Physical Review B, 100(15), 155308. https://doi.org/10.1103/physrevb.100.155308
bibtex: '@article{Vondran_Spitzer_Bayer_Akimov_Trautmann_Reichelt_Meier_Weber_Meier_André_et
al._2019, title={Spatially asymmetric transients of propagating exciton-polariton
modes in a planar CdZnTe/CdMgTe guiding structure}, volume={100}, DOI={10.1103/physrevb.100.155308},
number={15}, journal={Physical Review B}, author={Vondran, J. and Spitzer, F.
and Bayer, M. and Akimov, I. A. and Trautmann, Alexander and Reichelt, Matthias
and Meier, Cedrik and Weber, N. and Meier, Torsten and André, R. and et al.},
year={2019}, pages={155308} }'
chicago: 'Vondran, J., F. Spitzer, M. Bayer, I. A. Akimov, Alexander Trautmann,
Matthias Reichelt, Cedrik Meier, et al. “Spatially Asymmetric Transients of Propagating
Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” Physical
Review B 100, no. 15 (2019): 155308. https://doi.org/10.1103/physrevb.100.155308.'
ieee: 'J. Vondran et al., “Spatially asymmetric transients of propagating
exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” Physical
Review B, vol. 100, no. 15, p. 155308, 2019, doi: 10.1103/physrevb.100.155308.'
mla: Vondran, J., et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton
Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” Physical Review B,
vol. 100, no. 15, 2019, p. 155308, doi:10.1103/physrevb.100.155308.
short: J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt,
C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019)
155308.
date_created: 2021-07-29T08:13:23Z
date_updated: 2023-04-21T11:30:46Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '429'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevb.100.155308
intvolume: ' 100'
issue: '15'
language:
- iso: eng
page: '155308'
project:
- _id: '53'
name: TRR 142
- _id: '54'
name: TRR 142 - Project Area A
- _id: '56'
name: TRR 142 - Project Area C
- _id: '55'
name: TRR 142 - Project Area B
- _id: '59'
name: TRR 142 - Subproject A2
- _id: '67'
name: TRR 142 - Subproject B2
- _id: '68'
name: TRR 142 - Subproject B3
- _id: '62'
name: TRR 142 - Subproject A5
- _id: '71'
name: TRR 142 - Subproject C1
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Spatially asymmetric transients of propagating exciton-polariton modes in a
planar CdZnTe/CdMgTe guiding structure
type: journal_article
user_id: '16199'
volume: 100
year: '2019'
...
---
_id: '13429'
author:
- first_name: Adriana
full_name: Bocchini, Adriana
id: '58349'
last_name: Bocchini
orcid: https://orcid.org/0000-0002-2134-3075
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Bocchini A, Neufeld S, Gerstmann U, Schmidt WG. Oxygen and potassium vacancies
in KTP calculated from first principles. Journal of Physics: Condensed Matter.
2019;31:385401. doi:10.1088/1361-648x/ab295c'
apa: 'Bocchini, A., Neufeld, S., Gerstmann, U., & Schmidt, W. G. (2019). Oxygen
and potassium vacancies in KTP calculated from first principles. Journal of
Physics: Condensed Matter, 31, 385401. https://doi.org/10.1088/1361-648x/ab295c'
bibtex: '@article{Bocchini_Neufeld_Gerstmann_Schmidt_2019, title={Oxygen and potassium
vacancies in KTP calculated from first principles}, volume={31}, DOI={10.1088/1361-648x/ab295c},
journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and
Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019}, pages={385401}
}'
chicago: 'Bocchini, Adriana, Sergej Neufeld, Uwe Gerstmann, and Wolf Gero Schmidt.
“Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” Journal
of Physics: Condensed Matter 31 (2019): 385401. https://doi.org/10.1088/1361-648x/ab295c.'
ieee: 'A. Bocchini, S. Neufeld, U. Gerstmann, and W. G. Schmidt, “Oxygen and potassium
vacancies in KTP calculated from first principles,” Journal of Physics: Condensed
Matter, vol. 31, p. 385401, 2019, doi: 10.1088/1361-648x/ab295c.'
mla: 'Bocchini, Adriana, et al. “Oxygen and Potassium Vacancies in KTP Calculated
from First Principles.” Journal of Physics: Condensed Matter, vol. 31,
2019, p. 385401, doi:10.1088/1361-648x/ab295c.'
short: 'A. Bocchini, S. Neufeld, U. Gerstmann, W.G. Schmidt, Journal of Physics:
Condensed Matter 31 (2019) 385401.'
date_created: 2019-09-20T12:22:27Z
date_updated: 2023-04-21T11:37:48Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '429'
- _id: '35'
doi: 10.1088/1361-648x/ab295c
intvolume: ' 31'
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
page: '385401'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
name: 'TRR 142: TRR 142'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '69'
name: 'TRR 142 - B4: TRR 142 - Subproject B4'
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
issn:
- 0953-8984
- 1361-648X
publication_status: published
status: public
title: Oxygen and potassium vacancies in KTP calculated from first principles
type: journal_article
user_id: '171'
volume: 31
year: '2019'
...
---
_id: '1430'
author:
- first_name: Sandro P.
full_name: Hoffmann, Sandro P.
last_name: Hoffmann
- first_name: Maximilian
full_name: Albert, Maximilian
last_name: Albert
- first_name: Nils
full_name: Weber, Nils
last_name: Weber
- first_name: Denis
full_name: Sievers, Denis
last_name: Sievers
- first_name: Jens
full_name: Förstner, Jens
id: '158'
last_name: Förstner
orcid: 0000-0001-7059-9862
- first_name: Thomas
full_name: Zentgraf, Thomas
id: '30525'
last_name: Zentgraf
orcid: 0000-0002-8662-1101
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
citation:
ama: Hoffmann SP, Albert M, Weber N, et al. Tailored UV Emission by Nonlinear IR
Excitation from ZnO Photonic Crystal Nanocavities. ACS Photonics. 2018;5:1933-1942.
doi:10.1021/acsphotonics.7b01228
apa: Hoffmann, S. P., Albert, M., Weber, N., Sievers, D., Förstner, J., Zentgraf,
T., & Meier, C. (2018). Tailored UV Emission by Nonlinear IR Excitation from
ZnO Photonic Crystal Nanocavities. ACS Photonics, 5, 1933–1942.
https://doi.org/10.1021/acsphotonics.7b01228
bibtex: '@article{Hoffmann_Albert_Weber_Sievers_Förstner_Zentgraf_Meier_2018, title={Tailored
UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities},
volume={5}, DOI={10.1021/acsphotonics.7b01228},
journal={ACS Photonics}, publisher={American Chemical Society (ACS)}, author={Hoffmann,
Sandro P. and Albert, Maximilian and Weber, Nils and Sievers, Denis and Förstner,
Jens and Zentgraf, Thomas and Meier, Cedrik}, year={2018}, pages={1933–1942} }'
chicago: 'Hoffmann, Sandro P., Maximilian Albert, Nils Weber, Denis Sievers, Jens
Förstner, Thomas Zentgraf, and Cedrik Meier. “Tailored UV Emission by Nonlinear
IR Excitation from ZnO Photonic Crystal Nanocavities.” ACS Photonics 5
(2018): 1933–42. https://doi.org/10.1021/acsphotonics.7b01228.'
ieee: S. P. Hoffmann et al., “Tailored UV Emission by Nonlinear IR Excitation
from ZnO Photonic Crystal Nanocavities,” ACS Photonics, vol. 5, pp. 1933–1942,
2018.
mla: Hoffmann, Sandro P., et al. “Tailored UV Emission by Nonlinear IR Excitation
from ZnO Photonic Crystal Nanocavities.” ACS Photonics, vol. 5, American
Chemical Society (ACS), 2018, pp. 1933–42, doi:10.1021/acsphotonics.7b01228.
short: S.P. Hoffmann, M. Albert, N. Weber, D. Sievers, J. Förstner, T. Zentgraf,
C. Meier, ACS Photonics 5 (2018) 1933–1942.
date_created: 2018-03-20T07:39:36Z
date_updated: 2022-01-06T06:51:58Z
ddc:
- '530'
department:
- _id: '15'
- _id: '230'
- _id: '61'
- _id: '287'
- _id: '35'
- _id: '289'
doi: 10.1021/acsphotonics.7b01228
file:
- access_level: open_access
content_type: application/pdf
creator: fossie
date_created: 2018-08-16T07:49:44Z
date_updated: 2018-08-21T10:38:31Z
file_id: '3915'
file_name: 2018-03 Hoffmann ACS Photonics - Tailored UV Emission by nonlinear IR
excitation from ZnO photonic crystal nanocavities.pdf
file_size: 2935858
relation: main_file
file_date_updated: 2018-08-21T10:38:31Z
has_accepted_license: '1'
intvolume: ' 5'
keyword:
- tet_topic_phc
language:
- iso: eng
oa: '1'
page: 1933-1942
project:
- _id: '53'
name: TRR 142
- _id: '54'
name: TRR 142 - Project Area A
- _id: '55'
name: TRR 142 - Project Area B
- _id: '62'
name: TRR 142 - Subproject A5
- _id: '66'
name: TRR 142 - Subproject B1
publication: ACS Photonics
publication_identifier:
issn:
- 2330-4022
- 2330-4022
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Tailored UV Emission by Nonlinear IR Excitation from ZnO Photonic Crystal Nanocavities
type: journal_article
urn: '14308'
user_id: '30525'
volume: 5
year: '2018'
...
---
_id: '10013'
abstract:
- lang: eng
text: 'Ultrafast nonequilibrium dynamics offer a route to study the microscopic
interactions that govern macroscopic behavior. In particular, photoinduced phase
transitions (PIPTs) in solids provide a test case for how forces, and the resulting
atomic motion along a reaction coordinate, originate from a nonequilibrium population
of excited electronic states. Using femtosecond photoemission, we obtain access
to the transient electronic structure during an ultrafast PIPT in a model system:
indium nanowires on a silicon(111) surface. We uncover a detailed reaction pathway,
allowing a direct comparison with the dynamics predicted by ab initio simulations.
This further reveals the crucial role played by localized photoholes in shaping
the potential energy landscape and enables a combined momentum- and real-space
description of PIPTs, including the ultrafast formation of chemical bonds.'
author:
- first_name: C. W.
full_name: Nicholson, C. W.
last_name: Nicholson
- first_name: A.
full_name: Lücke, A.
last_name: Lücke
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: M.
full_name: Puppin, M.
last_name: Puppin
- first_name: L.
full_name: Rettig, L.
last_name: Rettig
- first_name: R.
full_name: Ernstorfer, R.
last_name: Ernstorfer
- first_name: M.
full_name: Wolf, M.
last_name: Wolf
citation:
ama: 'Nicholson CW, Lücke A, Schmidt WG, et al. Beyond the molecular movie: Dynamics
of bands and bonds during a photoinduced phase transition. Science. 2018:821-825.
doi:10.1126/science.aar4183'
apa: 'Nicholson, C. W., Lücke, A., Schmidt, W. G., Puppin, M., Rettig, L., Ernstorfer,
R., & Wolf, M. (2018). Beyond the molecular movie: Dynamics of bands and bonds
during a photoinduced phase transition. Science, 821–825. https://doi.org/10.1126/science.aar4183'
bibtex: '@article{Nicholson_Lücke_Schmidt_Puppin_Rettig_Ernstorfer_Wolf_2018, title={Beyond
the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition},
DOI={10.1126/science.aar4183},
journal={Science}, author={Nicholson, C. W. and Lücke, A. and Schmidt, Wolf Gero
and Puppin, M. and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2018}, pages={821–825}
}'
chicago: 'Nicholson, C. W., A. Lücke, Wolf Gero Schmidt, M. Puppin, L. Rettig, R.
Ernstorfer, and M. Wolf. “Beyond the Molecular Movie: Dynamics of Bands and Bonds
during a Photoinduced Phase Transition.” Science, 2018, 821–25. https://doi.org/10.1126/science.aar4183.'
ieee: 'C. W. Nicholson et al., “Beyond the molecular movie: Dynamics of bands
and bonds during a photoinduced phase transition,” Science, pp. 821–825,
2018.'
mla: 'Nicholson, C. W., et al. “Beyond the Molecular Movie: Dynamics of Bands and
Bonds during a Photoinduced Phase Transition.” Science, 2018, pp. 821–25,
doi:10.1126/science.aar4183.'
short: C.W. Nicholson, A. Lücke, W.G. Schmidt, M. Puppin, L. Rettig, R. Ernstorfer,
M. Wolf, Science (2018) 821–825.
date_created: 2019-05-29T06:46:27Z
date_updated: 2022-01-06T06:50:22Z
department:
- _id: '15'
doi: 10.1126/science.aar4183
language:
- iso: eng
page: 821-825
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Science
publication_identifier:
issn:
- 0036-8075
- 1095-9203
publication_status: published
status: public
title: 'Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced
phase transition'
type: journal_article
user_id: '16199'
year: '2018'
...
---
_id: '10016'
author:
- first_name: Mateusz
full_name: Paszkiewicz, Mateusz
last_name: Paszkiewicz
- first_name: Timur
full_name: Biktagirov, Timur
last_name: Biktagirov
- first_name: Hazem
full_name: Aldahhak, Hazem
id: '26687'
last_name: Aldahhak
- first_name: Francesco
full_name: Allegretti, Francesco
last_name: Allegretti
- first_name: Eva
full_name: Rauls, Eva
last_name: Rauls
- first_name: Wolfgang
full_name: Schöfberger, Wolfgang
last_name: Schöfberger
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Johannes V.
full_name: Barth, Johannes V.
last_name: Barth
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
- first_name: Florian
full_name: Klappenberger, Florian
last_name: Klappenberger
citation:
ama: Paszkiewicz M, Biktagirov T, Aldahhak H, et al. Unraveling the Oxidation and
Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis.
The Journal of Physical Chemistry Letters. 2018:6412-6420. doi:10.1021/acs.jpclett.8b02525
apa: Paszkiewicz, M., Biktagirov, T., Aldahhak, H., Allegretti, F., Rauls, E., Schöfberger,
W., … Klappenberger, F. (2018). Unraveling the Oxidation and Spin State of Mn–Corrole
through X-ray Spectroscopy and Quantum Chemical Analysis. The Journal of Physical
Chemistry Letters, 6412–6420. https://doi.org/10.1021/acs.jpclett.8b02525
bibtex: '@article{Paszkiewicz_Biktagirov_Aldahhak_Allegretti_Rauls_Schöfberger_Schmidt_Barth_Gerstmann_Klappenberger_2018,
title={Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy
and Quantum Chemical Analysis}, DOI={10.1021/acs.jpclett.8b02525},
journal={The Journal of Physical Chemistry Letters}, author={Paszkiewicz, Mateusz
and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls,
Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and
Gerstmann, Uwe and Klappenberger, Florian}, year={2018}, pages={6412–6420} }'
chicago: Paszkiewicz, Mateusz, Timur Biktagirov, Hazem Aldahhak, Francesco Allegretti,
Eva Rauls, Wolfgang Schöfberger, Wolf Gero Schmidt, Johannes V. Barth, Uwe Gerstmann,
and Florian Klappenberger. “Unraveling the Oxidation and Spin State of Mn–Corrole
through X-Ray Spectroscopy and Quantum Chemical Analysis.” The Journal of Physical
Chemistry Letters, 2018, 6412–20. https://doi.org/10.1021/acs.jpclett.8b02525.
ieee: M. Paszkiewicz et al., “Unraveling the Oxidation and Spin State of
Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis,” The Journal
of Physical Chemistry Letters, pp. 6412–6420, 2018.
mla: Paszkiewicz, Mateusz, et al. “Unraveling the Oxidation and Spin State of Mn–Corrole
through X-Ray Spectroscopy and Quantum Chemical Analysis.” The Journal of Physical
Chemistry Letters, 2018, pp. 6412–20, doi:10.1021/acs.jpclett.8b02525.
short: M. Paszkiewicz, T. Biktagirov, H. Aldahhak, F. Allegretti, E. Rauls, W. Schöfberger,
W.G. Schmidt, J.V. Barth, U. Gerstmann, F. Klappenberger, The Journal of Physical
Chemistry Letters (2018) 6412–6420.
date_created: 2019-05-29T07:20:57Z
date_updated: 2022-01-06T06:50:24Z
department:
- _id: '15'
doi: 10.1021/acs.jpclett.8b02525
language:
- iso: eng
page: 6412-6420
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: The Journal of Physical Chemistry Letters
publication_identifier:
issn:
- 1948-7185
publication_status: published
status: public
title: Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy
and Quantum Chemical Analysis
type: journal_article
user_id: '16199'
year: '2018'
...
---
_id: '10019'
author:
- first_name: Hazem
full_name: Aldahhak, Hazem
id: '26687'
last_name: Aldahhak
- first_name: M.
full_name: Paszkiewicz, M.
last_name: Paszkiewicz
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: F.
full_name: Allegretti, F.
last_name: Allegretti
- first_name: S.
full_name: Tebi, S.
last_name: Tebi
- first_name: A. C.
full_name: Papageorgiou, A. C.
last_name: Papageorgiou
- first_name: Y.-Q.
full_name: Zhang, Y.-Q.
last_name: Zhang
- first_name: L.
full_name: Zhang, L.
last_name: Zhang
- first_name: T.
full_name: Lin, T.
last_name: Lin
- first_name: T.
full_name: Paintner, T.
last_name: Paintner
- first_name: R.
full_name: Koch, R.
last_name: Koch
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: J. V.
full_name: Barth, J. V.
last_name: Barth
- first_name: W.
full_name: Schöfberger, W.
last_name: Schöfberger
- first_name: S.
full_name: Müllegger, S.
last_name: Müllegger
- first_name: F.
full_name: Klappenberger, F.
last_name: Klappenberger
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
citation:
ama: 'Aldahhak H, Paszkiewicz M, Rauls E, et al. Identifying On-Surface Site-Selective
Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base
Corroles on Ag(111). Chemistry - A European Journal. 2018:6787-6797. doi:10.1002/chem.201705921'
apa: 'Aldahhak, H., Paszkiewicz, M., Rauls, E., Allegretti, F., Tebi, S., Papageorgiou,
A. C., … Gerstmann, U. (2018). Identifying On-Surface Site-Selective Chemical
Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles
on Ag(111). Chemistry - A European Journal, 6787–6797. https://doi.org/10.1002/chem.201705921'
bibtex: '@article{Aldahhak_Paszkiewicz_Rauls_Allegretti_Tebi_Papageorgiou_Zhang_Zhang_Lin_Paintner_et
al._2018, title={Identifying On-Surface Site-Selective Chemical Conversions by
Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)},
DOI={10.1002/chem.201705921},
journal={Chemistry - A European Journal}, author={Aldahhak, Hazem and Paszkiewicz,
M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang,
Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and et al.}, year={2018}, pages={6787–6797}
}'
chicago: 'Aldahhak, Hazem, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A.
C. Papageorgiou, Y.-Q. Zhang, et al. “Identifying On-Surface Site-Selective Chemical
Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles
on Ag(111).” Chemistry - A European Journal, 2018, 6787–97. https://doi.org/10.1002/chem.201705921.'
ieee: 'H. Aldahhak et al., “Identifying On-Surface Site-Selective Chemical
Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles
on Ag(111),” Chemistry - A European Journal, pp. 6787–6797, 2018.'
mla: 'Aldahhak, Hazem, et al. “Identifying On-Surface Site-Selective Chemical Conversions
by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).”
Chemistry - A European Journal, 2018, pp. 6787–97, doi:10.1002/chem.201705921.'
short: H. Aldahhak, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A.C. Papageorgiou,
Y.-Q. Zhang, L. Zhang, T. Lin, T. Paintner, R. Koch, W.G. Schmidt, J.V. Barth,
W. Schöfberger, S. Müllegger, F. Klappenberger, U. Gerstmann, Chemistry - A European
Journal (2018) 6787–6797.
date_created: 2019-05-29T07:37:30Z
date_updated: 2022-01-06T06:50:24Z
department:
- _id: '15'
doi: 10.1002/chem.201705921
language:
- iso: eng
page: 6787-6797
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Chemistry - A European Journal
publication_identifier:
issn:
- 0947-6539
publication_status: published
status: public
title: 'Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided
NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)'
type: journal_article
user_id: '16199'
year: '2018'
...
---
_id: '4769'
abstract:
- lang: eng
text: "In recent years, Raman spectroscopy has been used to visualize and analyze
ferroelectric domain structures.\r\nThe technique makes use of the fact that the
intensity or frequency of certain phonons is strongly influenced\r\nby the presence
of domain walls. Although the method is used frequently, the underlying mechanism
responsible\r\nfor the changes in the spectra is not fully understood. This inhibits
deeper analysis of domain structures based\r\non this method. Two different models
have been proposed. However, neither model completely explains all\r\nobservations.
In this work, we have systematically investigated domain walls in different scattering
geometries\r\nwith Raman spectroscopy in the common ferroelectric materials used
in integrated optics, i.e., KTiOPO4,\r\nLiNbO3, and LiTaO3. Based on the two models,
we can demonstrate that the observed contrast for domain\r\nwalls is in fact based
on two different effects. We can identify on the one hand microscopic changes
at the\r\ndomain wall, e.g., strain and electric fields, and on the other hand
a macroscopic change of selection rules at the\r\ndomain wall. While the macroscopic
relaxation of selection rules can be explained by the directional dispersion\r\nof
the phonons in agreement with previous propositions, the microscopic changes can
be explained qualitatively\r\nin terms of a simplified atomistic model."
article_type: original
author:
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Julian
full_name: Brockmeier, Julian
id: '44807'
last_name: Brockmeier
- first_name: Christof
full_name: Eigner, Christof
id: '13244'
last_name: Eigner
orcid: https://orcid.org/0000-0002-5693-3083
- first_name: P.
full_name: Mackwitz, P.
last_name: Mackwitz
- first_name: K.
full_name: Spychala, K.
last_name: Spychala
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
citation:
ama: 'Rüsing M, Neufeld S, Brockmeier J, et al. Imaging of 180∘ ferroelectric domain
walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the
contrast mechanism. Physical Review Materials. 2018;2(10). doi:10.1103/physrevmaterials.2.103801'
apa: 'Rüsing, M., Neufeld, S., Brockmeier, J., Eigner, C., Mackwitz, P., Spychala,
K., Silberhorn, C., Schmidt, W. G., Berth, G., Zrenner, A., & Sanna, S. (2018).
Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal
Raman spectroscopy: Unraveling the contrast mechanism. Physical Review Materials,
2(10). https://doi.org/10.1103/physrevmaterials.2.103801'
bibtex: '@article{Rüsing_Neufeld_Brockmeier_Eigner_Mackwitz_Spychala_Silberhorn_Schmidt_Berth_Zrenner_et
al._2018, title={Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics
by confocal Raman spectroscopy: Unraveling the contrast mechanism}, volume={2},
DOI={10.1103/physrevmaterials.2.103801},
number={10}, journal={Physical Review Materials}, publisher={American Physical
Society (APS)}, author={Rüsing, Michael and Neufeld, Sergej and Brockmeier, Julian
and Eigner, Christof and Mackwitz, P. and Spychala, K. and Silberhorn, Christine
and Schmidt, Wolf Gero and Berth, Gerhard and Zrenner, Artur and et al.}, year={2018}
}'
chicago: 'Rüsing, Michael, Sergej Neufeld, Julian Brockmeier, Christof Eigner, P.
Mackwitz, K. Spychala, Christine Silberhorn, et al. “Imaging of 180∘ Ferroelectric
Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling
the Contrast Mechanism.” Physical Review Materials 2, no. 10 (2018). https://doi.org/10.1103/physrevmaterials.2.103801.'
ieee: 'M. Rüsing et al., “Imaging of 180∘ ferroelectric domain walls in uniaxial
ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism,”
Physical Review Materials, vol. 2, no. 10, 2018, doi: 10.1103/physrevmaterials.2.103801.'
mla: 'Rüsing, Michael, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial
Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.”
Physical Review Materials, vol. 2, no. 10, American Physical Society (APS),
2018, doi:10.1103/physrevmaterials.2.103801.'
short: M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala,
C. Silberhorn, W.G. Schmidt, G. Berth, A. Zrenner, S. Sanna, Physical Review Materials
2 (2018).
date_created: 2018-10-18T08:50:47Z
date_updated: 2023-10-11T09:01:48Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '288'
doi: 10.1103/physrevmaterials.2.103801
intvolume: ' 2'
issue: '10'
language:
- iso: eng
project:
- _id: '53'
grant_number: '231447078'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
grant_number: '231447078'
name: TRR 142 - Subproject B4
- _id: '70'
grant_number: '231447078'
name: TRR 142 - Subproject B5
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
publisher: American Physical Society (APS)
status: public
title: 'Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal
Raman spectroscopy: Unraveling the contrast mechanism'
type: journal_article
user_id: '22501'
volume: 2
year: '2018'
...
---
_id: '4370'
author:
- first_name: C.
full_name: Schmidt, C.
last_name: Schmidt
- first_name: J.
full_name: Bühler, J.
last_name: Bühler
- first_name: A.-C.
full_name: Heinrich, A.-C.
last_name: Heinrich
- first_name: J.
full_name: Allerbeck, J.
last_name: Allerbeck
- first_name: R.
full_name: Podzimski, R.
last_name: Podzimski
- first_name: D.
full_name: Berghoff, D.
last_name: Berghoff
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
last_name: Schmidt
- first_name: C.
full_name: Reichl, C.
last_name: Reichl
- first_name: W.
full_name: Wegscheider, W.
last_name: Wegscheider
- first_name: D.
full_name: Brida, D.
last_name: Brida
- first_name: A.
full_name: Leitenstorfer, A.
last_name: Leitenstorfer
citation:
ama: Schmidt C, Bühler J, Heinrich A-C, et al. Signatures of transient Wannier-Stark
localization in bulk gallium arsenide. Nature Communications. 2018;9(1).
doi:10.1038/s41467-018-05229-x
apa: Schmidt, C., Bühler, J., Heinrich, A.-C., Allerbeck, J., Podzimski, R., Berghoff,
D., Meier, T., Schmidt, W. G., Reichl, C., Wegscheider, W., Brida, D., & Leitenstorfer,
A. (2018). Signatures of transient Wannier-Stark localization in bulk gallium
arsenide. Nature Communications, 9(1). https://doi.org/10.1038/s41467-018-05229-x
bibtex: '@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et
al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium
arsenide}, volume={9}, DOI={10.1038/s41467-018-05229-x},
number={1}, journal={Nature Communications}, publisher={Springer Nature}, author={Schmidt,
C. and Bühler, J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and
Berghoff, D. and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider,
W. and et al.}, year={2018} }'
chicago: Schmidt, C., J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D.
Berghoff, Torsten Meier, et al. “Signatures of Transient Wannier-Stark Localization
in Bulk Gallium Arsenide.” Nature Communications 9, no. 1 (2018). https://doi.org/10.1038/s41467-018-05229-x.
ieee: 'C. Schmidt et al., “Signatures of transient Wannier-Stark localization
in bulk gallium arsenide,” Nature Communications, vol. 9, no. 1, 2018,
doi: 10.1038/s41467-018-05229-x.'
mla: Schmidt, C., et al. “Signatures of Transient Wannier-Stark Localization in
Bulk Gallium Arsenide.” Nature Communications, vol. 9, no. 1, Springer
Nature, 2018, doi:10.1038/s41467-018-05229-x.
short: C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff,
T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer,
Nature Communications 9 (2018).
date_created: 2018-09-10T12:21:49Z
date_updated: 2023-04-21T11:32:18Z
department:
- _id: '230'
- _id: '429'
- _id: '15'
- _id: '35'
- _id: '293'
- _id: '170'
doi: 10.1038/s41467-018-05229-x
intvolume: ' 9'
issue: '1'
language:
- iso: eng
project:
- _id: '53'
name: TRR 142
- _id: '54'
name: TRR 142 - Project Area A
- _id: '59'
name: TRR 142 - Subproject A2
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Nature Communications
publication_identifier:
issn:
- 2041-1723
publication_status: published
publisher: Springer Nature
status: public
title: Signatures of transient Wannier-Stark localization in bulk gallium arsenide
type: journal_article
user_id: '16199'
volume: 9
year: '2018'
...
---
_id: '10018'
article_number: '2890'
author:
- first_name: Claudia
full_name: Schmidt, Claudia
id: '466'
last_name: Schmidt
orcid: 0000-0003-3179-9997
- first_name: J.
full_name: Bühler, J.
last_name: Bühler
- first_name: A.-C.
full_name: Heinrich, A.-C.
last_name: Heinrich
- first_name: J.
full_name: Allerbeck, J.
last_name: Allerbeck
- first_name: R.
full_name: Podzimski, R.
last_name: Podzimski
- first_name: Daniel
full_name: Berghoff, Daniel
id: '38175'
last_name: Berghoff
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: C.
full_name: Reichl, C.
last_name: Reichl
- first_name: W.
full_name: Wegscheider, W.
last_name: Wegscheider
- first_name: D.
full_name: Brida, D.
last_name: Brida
- first_name: A.
full_name: Leitenstorfer, A.
last_name: Leitenstorfer
citation:
ama: Schmidt C, Bühler J, Heinrich A-C, et al. Signatures of transient Wannier-Stark
localization in bulk gallium arsenide. Nature Communications. 2018;9. doi:10.1038/s41467-018-05229-x
apa: Schmidt, C., Bühler, J., Heinrich, A.-C., Allerbeck, J., Podzimski, R., Berghoff,
D., Meier, T., Schmidt, W. G., Reichl, C., Wegscheider, W., Brida, D., & Leitenstorfer,
A. (2018). Signatures of transient Wannier-Stark localization in bulk gallium
arsenide. Nature Communications, 9, Article 2890. https://doi.org/10.1038/s41467-018-05229-x
bibtex: '@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et
al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium
arsenide}, volume={9}, DOI={10.1038/s41467-018-05229-x},
number={2890}, journal={Nature Communications}, author={Schmidt, Claudia and Bühler,
J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and Berghoff, Daniel
and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider, W. and
et al.}, year={2018} }'
chicago: Schmidt, Claudia, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski,
Daniel Berghoff, Torsten Meier, et al. “Signatures of Transient Wannier-Stark
Localization in Bulk Gallium Arsenide.” Nature Communications 9 (2018).
https://doi.org/10.1038/s41467-018-05229-x.
ieee: 'C. Schmidt et al., “Signatures of transient Wannier-Stark localization
in bulk gallium arsenide,” Nature Communications, vol. 9, Art. no. 2890,
2018, doi: 10.1038/s41467-018-05229-x.'
mla: Schmidt, Claudia, et al. “Signatures of Transient Wannier-Stark Localization
in Bulk Gallium Arsenide.” Nature Communications, vol. 9, 2890, 2018, doi:10.1038/s41467-018-05229-x.
short: C. Schmidt, J. Bühler, A.-C. Heinrich, J. Allerbeck, R. Podzimski, D. Berghoff,
T. Meier, W.G. Schmidt, C. Reichl, W. Wegscheider, D. Brida, A. Leitenstorfer,
Nature Communications 9 (2018).
date_created: 2019-05-29T07:33:32Z
date_updated: 2023-04-21T11:34:48Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '293'
- _id: '230'
- _id: '429'
- _id: '35'
doi: 10.1038/s41467-018-05229-x
funded_apc: '1'
intvolume: ' 9'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '54'
name: TRR 142 - Project Area A
- _id: '59'
name: TRR 142 - Subproject A2
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Nature Communications
publication_identifier:
issn:
- 2041-1723
publication_status: published
status: public
title: Signatures of transient Wannier-Stark localization in bulk gallium arsenide
type: journal_article
user_id: '16199'
volume: 9
year: '2018'
...
---
_id: '13410'
article_number: '019902'
author:
- first_name: Michael
full_name: Friedrich, Michael
last_name: Friedrich
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: 'Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Erratum: Optical properties
of titanium-doped lithium niobate from time-dependent density-functional theory
[Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials. 2018;2(1).
doi:10.1103/PhysRevMaterials.2.019902'
apa: 'Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2018). Erratum:
Optical properties of titanium-doped lithium niobate from time-dependent density-functional
theory [Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials,
2(1). https://doi.org/10.1103/PhysRevMaterials.2.019902'
bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2018, title={Erratum: Optical
properties of titanium-doped lithium niobate from time-dependent density-functional
theory [Phys. Rev. Materials 1, 034401 (2017)]}, volume={2}, DOI={10.1103/PhysRevMaterials.2.019902},
number={1019902}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno
and Sanna, Simone}, year={2018} }'
chicago: 'Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna.
“Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent
Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].” Physical
Review Materials 2, no. 1 (2018). https://doi.org/10.1103/PhysRevMaterials.2.019902.'
ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Erratum: Optical
properties of titanium-doped lithium niobate from time-dependent density-functional
theory [Phys. Rev. Materials 1, 034401 (2017)],” Physical Review Materials,
vol. 2, no. 1, 2018.'
mla: 'Friedrich, Michael, et al. “Erratum: Optical Properties of Titanium-Doped
Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials
1, 034401 (2017)].” Physical Review Materials, vol. 2, no. 1, 019902, American
Physical Society, 2018, doi:10.1103/PhysRevMaterials.2.019902.'
short: M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials
2 (2018).
date_created: 2019-09-20T11:28:23Z
date_updated: 2025-12-05T10:07:07Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
doi: 10.1103/PhysRevMaterials.2.019902
external_id:
isi:
- '000419778500006'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T09:11:59Z
date_updated: 2020-08-30T14:34:54Z
description: © 2018 American Physical Society
file_id: '18536'
file_name: PhysRevMaterials.2.019902.pdf
file_size: 178961
relation: main_file
title: 'Erratum: Optical properties of titanium-doped lithium niobate from time-dependent
density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]'
file_date_updated: 2020-08-30T14:34:54Z
has_accepted_license: '1'
intvolume: ' 2'
isi: '1'
issue: '1'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '68'
name: TRR 142 - Subproject B3
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review Materials
publication_identifier:
eissn:
- 2475-9953
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
record:
- id: '10021'
relation: other
status: public
status: public
title: 'Erratum: Optical properties of titanium-doped lithium niobate from time-dependent
density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]'
type: journal_article
user_id: '458'
volume: 2
year: '2018'
...
---
_id: '17065'
article_number: '1800314'
author:
- first_name: Norbert
full_name: Esser, Norbert
last_name: Esser
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Esser N, Schmidt WG. Electric Field Induced Raman Scattering at the Sb–InP(110)
Interface: The Surface Dipole Contribution. physica status solidi (b).
2018;(256). doi:10.1002/pssb.201800314'
apa: 'Esser, N., & Schmidt, W. G. (2018). Electric Field Induced Raman Scattering
at the Sb–InP(110) Interface: The Surface Dipole Contribution. Physica Status
Solidi (b), 256, Article 1800314. https://doi.org/10.1002/pssb.201800314'
bibtex: '@article{Esser_Schmidt_2018, title={Electric Field Induced Raman Scattering
at the Sb–InP(110) Interface: The Surface Dipole Contribution}, DOI={10.1002/pssb.201800314},
number={2561800314}, journal={physica status solidi (b)}, author={Esser, Norbert
and Schmidt, Wolf Gero}, year={2018} }'
chicago: 'Esser, Norbert, and Wolf Gero Schmidt. “Electric Field Induced Raman Scattering
at the Sb–InP(110) Interface: The Surface Dipole Contribution.” Physica Status
Solidi (b), no. 256 (2018). https://doi.org/10.1002/pssb.201800314.'
ieee: 'N. Esser and W. G. Schmidt, “Electric Field Induced Raman Scattering at the
Sb–InP(110) Interface: The Surface Dipole Contribution,” physica status solidi
(b), no. 256, Art. no. 1800314, 2018, doi: 10.1002/pssb.201800314.'
mla: 'Esser, Norbert, and Wolf Gero Schmidt. “Electric Field Induced Raman Scattering
at the Sb–InP(110) Interface: The Surface Dipole Contribution.” Physica Status
Solidi (b), no. 256, 1800314, 2018, doi:10.1002/pssb.201800314.'
short: N. Esser, W.G. Schmidt, Physica Status Solidi (b) (2018).
date_created: 2020-05-29T09:48:41Z
date_updated: 2025-12-16T11:30:05Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '27'
- _id: '230'
- _id: '429'
doi: 10.1002/pssb.201800314
issue: '256'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
name: 'TRR 142: TRR 142'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '69'
name: 'TRR 142 - B4: TRR 142 - Subproject B4'
publication: physica status solidi (b)
publication_identifier:
issn:
- 0370-1972
- 1521-3951
publication_status: published
status: public
title: 'Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The
Surface Dipole Contribution'
type: journal_article
user_id: '16199'
year: '2018'
...
---
_id: '10020'
author:
- first_name: M.
full_name: Landmann, M.
last_name: Landmann
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Landmann M, Rauls E, Schmidt WG. Understanding band alignments in semiconductor
heterostructures: Composition dependence and type-I–type-II transition of natural
band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. Physical
Review B. 2017. doi:10.1103/physrevb.95.155310'
apa: 'Landmann, M., Rauls, E., & Schmidt, W. G. (2017). Understanding band alignments
in semiconductor heterostructures: Composition dependence and type-I–type-II transition
of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites.
Physical Review B. https://doi.org/10.1103/physrevb.95.155310'
bibtex: '@article{Landmann_Rauls_Schmidt_2017, title={Understanding band alignments
in semiconductor heterostructures: Composition dependence and type-I–type-II transition
of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites},
DOI={10.1103/physrevb.95.155310},
journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf
Gero}, year={2017} }'
chicago: 'Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Understanding Band Alignments
in Semiconductor Heterostructures: Composition Dependence and Type-I–Type-II Transition
of Natural Band Offsets in Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.”
Physical Review B, 2017. https://doi.org/10.1103/physrevb.95.155310.'
ieee: 'M. Landmann, E. Rauls, and W. G. Schmidt, “Understanding band alignments
in semiconductor heterostructures: Composition dependence and type-I–type-II transition
of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites,”
Physical Review B, 2017.'
mla: 'Landmann, M., et al. “Understanding Band Alignments in Semiconductor Heterostructures:
Composition Dependence and Type-I–Type-II Transition of Natural Band Offsets in
Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.” Physical Review B,
2017, doi:10.1103/physrevb.95.155310.'
short: M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B (2017).
date_created: 2019-05-29T07:40:31Z
date_updated: 2022-01-06T06:50:24Z
department:
- _id: '15'
doi: 10.1103/physrevb.95.155310
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: 'Understanding band alignments in semiconductor heterostructures: Composition
dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites'
type: journal_article
user_id: '16199'
year: '2017'
...
---
_id: '3434'
abstract:
- lang: eng
text: In this work we study the impact of ion implantation on the nonlinear optical
properties in MgO:LiNbO3 via confocal second-harmonic microscopy. In detail, we
spatially characterize the nonlinear susceptibility in carbon-ion implanted lithium
niobate planar waveguides for different implantation energies and fluences, as
well as the effect of annealing. In a further step, a computational simulation
is used to calculate the implantation range of carbon-ions and the corresponding
defect density distribution. A comparison between the simulation and the experimental
data indicates that the depth profile of the second-order effective nonlinear
coefficient is directly connected to the defect density that is induced by the
ion irradiation. Furthermore it can be demonstrated that the annealing treatment
partially recovers the second-order optical susceptibility.
article_type: original
author:
- first_name: Kai J.
full_name: Spychala, Kai J.
last_name: Spychala
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Alex
full_name: Widhalm, Alex
last_name: Widhalm
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Lei
full_name: Wang, Lei
last_name: Wang
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Spychala KJ, Berth G, Widhalm A, et al. Impact of carbon-ion implantation on
the nonlinear optical susceptibility of LiNbO3. OPTICS EXPRESS. 2017;(18):21444--21453.
doi:10.1364/OE.25.021444
apa: Spychala, K. J., Berth, G., Widhalm, A., Rüsing, M., Wang, L., Sanna, S., &
Zrenner, A. (2017). Impact of carbon-ion implantation on the nonlinear optical
susceptibility of LiNbO3. OPTICS EXPRESS, 18, 21444--21453. https://doi.org/10.1364/OE.25.021444
bibtex: '@article{Spychala_Berth_Widhalm_Rüsing_Wang_Sanna_Zrenner_2017, title={Impact
of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3},
DOI={10.1364/OE.25.021444},
number={18}, journal={OPTICS EXPRESS}, author={Spychala, Kai J. and Berth, Gerhard
and Widhalm, Alex and Rüsing, Michael and Wang, Lei and Sanna, Simone and Zrenner,
Artur}, year={2017}, pages={21444--21453} }'
chicago: 'Spychala, Kai J., Gerhard Berth, Alex Widhalm, Michael Rüsing, Lei Wang,
Simone Sanna, and Artur Zrenner. “Impact of Carbon-Ion Implantation on the Nonlinear
Optical Susceptibility of LiNbO3.” OPTICS EXPRESS, no. 18 (2017): 21444--21453.
https://doi.org/10.1364/OE.25.021444.'
ieee: 'K. J. Spychala et al., “Impact of carbon-ion implantation on the nonlinear
optical susceptibility of LiNbO3,” OPTICS EXPRESS, no. 18, pp. 21444--21453,
2017, doi: 10.1364/OE.25.021444.'
mla: Spychala, Kai J., et al. “Impact of Carbon-Ion Implantation on the Nonlinear
Optical Susceptibility of LiNbO3.” OPTICS EXPRESS, no. 18, 2017, pp. 21444--21453,
doi:10.1364/OE.25.021444.
short: K.J. Spychala, G. Berth, A. Widhalm, M. Rüsing, L. Wang, S. Sanna, A. Zrenner,
OPTICS EXPRESS (2017) 21444--21453.
date_created: 2018-07-05T11:53:46Z
date_updated: 2023-10-09T08:10:58Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
doi: 10.1364/OE.25.021444
issue: '18'
language:
- iso: eng
page: 21444--21453
project:
- _id: '53'
grant_number: '231447078'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '68'
grant_number: '231447078'
name: TRR 142 - Subproject B3
publication: OPTICS EXPRESS
publication_identifier:
issn:
- 1094-4087
publication_status: published
status: public
title: Impact of carbon-ion implantation on the nonlinear optical susceptibility of
LiNbO3
type: journal_article
user_id: '14931'
year: '2017'
...