---
_id: '13903'
author:
- first_name: Jan Philipp
full_name: Höpker, Jan Philipp
id: '33913'
last_name: Höpker
- first_name: Moritz
full_name: Bartnick, Moritz
last_name: Bartnick
- first_name: Evan
full_name: Meyer-Scott, Evan
last_name: Meyer-Scott
- first_name: Frederik
full_name: Thiele, Frederik
last_name: Thiele
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: Tim
full_name: Bartley, Tim
id: '49683'
last_name: Bartley
- first_name: Stephan
full_name: Krapick, Stephan
last_name: Krapick
- first_name: Nicola M.
full_name: Montaut, Nicola M.
last_name: Montaut
- first_name: Matteo
full_name: Santandrea, Matteo
id: '55095'
last_name: Santandrea
orcid: 0000-0001-5718-358X
- first_name: Harald
full_name: Herrmann, Harald
id: '216'
last_name: Herrmann
- first_name: Sebastian
full_name: Lengeling, Sebastian
id: '44373'
last_name: Lengeling
- first_name: Raimund
full_name: Ricken, Raimund
last_name: Ricken
- first_name: Viktor
full_name: Quiring, Viktor
last_name: Quiring
- first_name: Adriana E.
full_name: Lita, Adriana E.
last_name: Lita
- first_name: Varun B.
full_name: Verma, Varun B.
last_name: Verma
- first_name: Thomas
full_name: Gerrits, Thomas
last_name: Gerrits
- first_name: Sae Woo
full_name: Nam, Sae Woo
last_name: Nam
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
citation:
ama: 'Höpker JP, Bartnick M, Meyer-Scott E, et al. Towards integrated superconducting
detectors on lithium niobate waveguides. In: Agio M, Srinivasan K, Soci C, eds.
Quantum Photonic Devices. Vol 10358. Quantum Photonic Devices - SPIE. SPIE;
2017:1035809. doi:10.1117/12.2273388'
apa: Höpker, J. P., Bartnick, M., Meyer-Scott, E., Thiele, F., Meier, T., Bartley,
T., Krapick, S., Montaut, N. M., Santandrea, M., Herrmann, H., Lengeling, S.,
Ricken, R., Quiring, V., Lita, A. E., Verma, V. B., Gerrits, T., Nam, S. W., &
Silberhorn, C. (2017). Towards integrated superconducting detectors on lithium
niobate waveguides. In M. Agio, K. Srinivasan, & C. Soci (Eds.), Quantum
Photonic Devices (Vol. 10358, p. 1035809). SPIE. https://doi.org/10.1117/12.2273388
bibtex: '@inproceedings{Höpker_Bartnick_Meyer-Scott_Thiele_Meier_Bartley_Krapick_Montaut_Santandrea_Herrmann_et
al._2017, series={Quantum Photonic Devices - SPIE}, title={Towards integrated
superconducting detectors on lithium niobate waveguides}, volume={10358}, DOI={10.1117/12.2273388}, booktitle={Quantum
Photonic Devices}, publisher={SPIE}, author={Höpker, Jan Philipp and Bartnick,
Moritz and Meyer-Scott, Evan and Thiele, Frederik and Meier, Torsten and Bartley,
Tim and Krapick, Stephan and Montaut, Nicola M. and Santandrea, Matteo and Herrmann,
Harald and et al.}, editor={Agio, Mario and Srinivasan, Kartik and Soci, Cesare},
year={2017}, pages={1035809}, collection={Quantum Photonic Devices - SPIE} }'
chicago: Höpker, Jan Philipp, Moritz Bartnick, Evan Meyer-Scott, Frederik Thiele,
Torsten Meier, Tim Bartley, Stephan Krapick, et al. “Towards Integrated Superconducting
Detectors on Lithium Niobate Waveguides.” In Quantum Photonic Devices,
edited by Mario Agio, Kartik Srinivasan, and Cesare Soci, 10358:1035809. Quantum
Photonic Devices - SPIE. SPIE, 2017. https://doi.org/10.1117/12.2273388.
ieee: 'J. P. Höpker et al., “Towards integrated superconducting detectors
on lithium niobate waveguides,” in Quantum Photonic Devices, 2017, vol.
10358, p. 1035809, doi: 10.1117/12.2273388.'
mla: Höpker, Jan Philipp, et al. “Towards Integrated Superconducting Detectors on
Lithium Niobate Waveguides.” Quantum Photonic Devices, edited by Mario
Agio et al., vol. 10358, SPIE, 2017, p. 1035809, doi:10.1117/12.2273388.
short: 'J.P. Höpker, M. Bartnick, E. Meyer-Scott, F. Thiele, T. Meier, T. Bartley,
S. Krapick, N.M. Montaut, M. Santandrea, H. Herrmann, S. Lengeling, R. Ricken,
V. Quiring, A.E. Lita, V.B. Verma, T. Gerrits, S.W. Nam, C. Silberhorn, in: M.
Agio, K. Srinivasan, C. Soci (Eds.), Quantum Photonic Devices, SPIE, 2017, p.
1035809.'
date_created: 2019-10-18T08:01:45Z
date_updated: 2023-04-16T20:59:06Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '288'
- _id: '230'
- _id: '429'
doi: 10.1117/12.2273388
editor:
- first_name: Mario
full_name: Agio, Mario
last_name: Agio
- first_name: Kartik
full_name: Srinivasan, Kartik
last_name: Srinivasan
- first_name: Cesare
full_name: Soci, Cesare
last_name: Soci
intvolume: ' 10358'
language:
- iso: eng
page: '1035809'
project:
- _id: '53'
name: TRR 142
- _id: '56'
name: TRR 142 - Project Area C
- _id: '72'
name: TRR 142 - Subproject C2
publication: Quantum Photonic Devices
publication_identifier:
isbn:
- '9781510611733'
- '9781510611740'
publication_status: published
publisher: SPIE
series_title: Quantum Photonic Devices - SPIE
status: public
title: Towards integrated superconducting detectors on lithium niobate waveguides
type: conference
user_id: '49063'
volume: 10358
year: '2017'
...
---
_id: '13334'
article_number: 101020P
author:
- first_name: Reinold
full_name: Podzimski, Reinold
last_name: Podzimski
- first_name: Huynh Thanh
full_name: Duc, Huynh Thanh
last_name: Duc
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
citation:
ama: 'Podzimski R, Duc HT, Meier T. A microscopic approach to ultrafast near band
gap photocurrents in bulk semiconductors. In: Betz M, Elezzabi AY, eds. Ultrafast
Phenomena and Nanophotonics XXI. Vol 10102. SPIE Proceedings. SPIE; 2017.
doi:10.1117/12.2250299'
apa: Podzimski, R., Duc, H. T., & Meier, T. (2017). A microscopic approach to
ultrafast near band gap photocurrents in bulk semiconductors. In M. Betz &
A. Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXI (No. 101020P;
Vol. 10102). SPIE. https://doi.org/10.1117/12.2250299
bibtex: '@inproceedings{Podzimski_Duc_Meier_2017, series={SPIE Proceedings}, title={A
microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors},
volume={10102}, DOI={10.1117/12.2250299},
number={101020P}, booktitle={Ultrafast Phenomena and Nanophotonics XXI}, publisher={SPIE},
author={Podzimski, Reinold and Duc, Huynh Thanh and Meier, Torsten}, editor={Betz,
Markus and Elezzabi, Abdulhakem Y.}, year={2017}, collection={SPIE Proceedings}
}'
chicago: Podzimski, Reinold, Huynh Thanh Duc, and Torsten Meier. “A Microscopic
Approach to Ultrafast near Band Gap Photocurrents in Bulk Semiconductors.” In
Ultrafast Phenomena and Nanophotonics XXI, edited by Markus Betz and Abdulhakem
Y. Elezzabi, Vol. 10102. SPIE Proceedings. SPIE, 2017. https://doi.org/10.1117/12.2250299.
ieee: 'R. Podzimski, H. T. Duc, and T. Meier, “A microscopic approach to ultrafast
near band gap photocurrents in bulk semiconductors,” in Ultrafast Phenomena
and Nanophotonics XXI, 2017, vol. 10102, doi: 10.1117/12.2250299.'
mla: Podzimski, Reinold, et al. “A Microscopic Approach to Ultrafast near Band Gap
Photocurrents in Bulk Semiconductors.” Ultrafast Phenomena and Nanophotonics
XXI, edited by Markus Betz and Abdulhakem Y. Elezzabi, vol. 10102, 101020P,
SPIE, 2017, doi:10.1117/12.2250299.
short: 'R. Podzimski, H.T. Duc, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast
Phenomena and Nanophotonics XXI, SPIE, 2017.'
date_created: 2019-09-19T13:06:30Z
date_updated: 2023-04-16T21:01:30Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1117/12.2250299
editor:
- first_name: Markus
full_name: Betz, Markus
last_name: Betz
- first_name: Abdulhakem Y.
full_name: Elezzabi, Abdulhakem Y.
last_name: Elezzabi
intvolume: ' 10102'
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'
publication: Ultrafast Phenomena and Nanophotonics XXI
publication_status: published
publisher: SPIE
series_title: SPIE Proceedings
status: public
title: A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors
type: conference
user_id: '49063'
volume: 10102
year: '2017'
...
---
_id: '13908'
article_number: '075306'
author:
- first_name: S. V.
full_name: Poltavtsev, S. V.
last_name: Poltavtsev
- first_name: Matthias
full_name: Reichelt, Matthias
id: '138'
last_name: Reichelt
- first_name: I. A.
full_name: Akimov, I. A.
last_name: Akimov
- first_name: G.
full_name: Karczewski, G.
last_name: Karczewski
- first_name: M.
full_name: Wiater, M.
last_name: Wiater
- first_name: T.
full_name: Wojtowicz, T.
last_name: Wojtowicz
- first_name: D. R.
full_name: Yakovlev, D. R.
last_name: Yakovlev
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
citation:
ama: Poltavtsev SV, Reichelt M, Akimov IA, et al. Damping of Rabi oscillations in
intensity-dependent photon echoes from exciton complexes in a CdTe/(Cd,Mg)Te single
quantum well. Physical Review B. 2017;96(7). doi:10.1103/physrevb.96.075306
apa: Poltavtsev, S. V., Reichelt, M., Akimov, I. A., Karczewski, G., Wiater, M.,
Wojtowicz, T., Yakovlev, D. R., Meier, T., & Bayer, M. (2017). Damping of
Rabi oscillations in intensity-dependent photon echoes from exciton complexes
in a CdTe/(Cd,Mg)Te single quantum well. Physical Review B, 96(7),
Article 075306. https://doi.org/10.1103/physrevb.96.075306
bibtex: '@article{Poltavtsev_Reichelt_Akimov_Karczewski_Wiater_Wojtowicz_Yakovlev_Meier_Bayer_2017,
title={Damping of Rabi oscillations in intensity-dependent photon echoes from
exciton complexes in a CdTe/(Cd,Mg)Te single quantum well}, volume={96}, DOI={10.1103/physrevb.96.075306},
number={7075306}, journal={Physical Review B}, author={Poltavtsev, S. V. and Reichelt,
Matthias and Akimov, I. A. and Karczewski, G. and Wiater, M. and Wojtowicz, T.
and Yakovlev, D. R. and Meier, Torsten and Bayer, M.}, year={2017} }'
chicago: Poltavtsev, S. V., Matthias Reichelt, I. A. Akimov, G. Karczewski, M. Wiater,
T. Wojtowicz, D. R. Yakovlev, Torsten Meier, and M. Bayer. “Damping of Rabi Oscillations
in Intensity-Dependent Photon Echoes from Exciton Complexes in a CdTe/(Cd,Mg)Te
Single Quantum Well.” Physical Review B 96, no. 7 (2017). https://doi.org/10.1103/physrevb.96.075306.
ieee: 'S. V. Poltavtsev et al., “Damping of Rabi oscillations in intensity-dependent
photon echoes from exciton complexes in a CdTe/(Cd,Mg)Te single quantum well,”
Physical Review B, vol. 96, no. 7, Art. no. 075306, 2017, doi: 10.1103/physrevb.96.075306.'
mla: Poltavtsev, S. V., et al. “Damping of Rabi Oscillations in Intensity-Dependent
Photon Echoes from Exciton Complexes in a CdTe/(Cd,Mg)Te Single Quantum Well.”
Physical Review B, vol. 96, no. 7, 075306, 2017, doi:10.1103/physrevb.96.075306.
short: S.V. Poltavtsev, M. Reichelt, I.A. Akimov, G. Karczewski, M. Wiater, T. Wojtowicz,
D.R. Yakovlev, T. Meier, M. Bayer, Physical Review B 96 (2017).
date_created: 2019-10-18T08:10:38Z
date_updated: 2023-04-16T20:59:32Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '429'
- _id: '230'
doi: 10.1103/physrevb.96.075306
funded_apc: '1'
intvolume: ' 96'
issue: '7'
language:
- iso: eng
project:
- _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: Damping of Rabi oscillations in intensity-dependent photon echoes from exciton
complexes in a CdTe/(Cd,Mg)Te single quantum well
type: journal_article
user_id: '49063'
volume: 96
year: '2017'
...
---
_id: '13288'
article_number: '3194'
author:
- first_name: R.
full_name: Driben, R.
last_name: Driben
- first_name: V. V.
full_name: Konotop, V. V.
last_name: Konotop
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: A. V.
full_name: Yulin, A. V.
last_name: Yulin
citation:
ama: Driben R, Konotop VV, Meier T, Yulin AV. Bloch oscillations sustained by nonlinearity.
Scientific Reports. 2017;7(1). doi:10.1038/s41598-017-03400-w
apa: Driben, R., Konotop, V. V., Meier, T., & Yulin, A. V. (2017). Bloch oscillations
sustained by nonlinearity. Scientific Reports, 7(1), Article 3194.
https://doi.org/10.1038/s41598-017-03400-w
bibtex: '@article{Driben_Konotop_Meier_Yulin_2017, title={Bloch oscillations sustained
by nonlinearity}, volume={7}, DOI={10.1038/s41598-017-03400-w},
number={13194}, journal={Scientific Reports}, author={Driben, R. and Konotop,
V. V. and Meier, Torsten and Yulin, A. V.}, year={2017} }'
chicago: Driben, R., V. V. Konotop, Torsten Meier, and A. V. Yulin. “Bloch Oscillations
Sustained by Nonlinearity.” Scientific Reports 7, no. 1 (2017). https://doi.org/10.1038/s41598-017-03400-w.
ieee: 'R. Driben, V. V. Konotop, T. Meier, and A. V. Yulin, “Bloch oscillations
sustained by nonlinearity,” Scientific Reports, vol. 7, no. 1, Art. no.
3194, 2017, doi: 10.1038/s41598-017-03400-w.'
mla: Driben, R., et al. “Bloch Oscillations Sustained by Nonlinearity.” Scientific
Reports, vol. 7, no. 1, 3194, 2017, doi:10.1038/s41598-017-03400-w.
short: R. Driben, V.V. Konotop, T. Meier, A.V. Yulin, Scientific Reports 7 (2017).
date_created: 2019-09-18T14:38:04Z
date_updated: 2023-04-16T21:01:03Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
- _id: '429'
doi: 10.1038/s41598-017-03400-w
intvolume: ' 7'
issue: '1'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '56'
name: TRR 142 - Project Area C
- _id: '72'
name: TRR 142 - Subproject C2
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
status: public
title: Bloch oscillations sustained by nonlinearity
type: journal_article
user_id: '49063'
volume: 7
year: '2017'
...
---
_id: '10023'
abstract:
- lang: eng
text: We perform a comprehensive theoretical study of the structural and electronic
properties of potassium niobate (KNbO3) in the cubic, tetragonal, orthorhombic,
monoclinic, and rhombohedral phase, based on density-functional theory. The influence
of different parametrizations of the exchange-correlation functional on the investigated
properties is analyzed in detail, and the results are compared to available experimental
data. We argue that the PBEsol and AM05 generalized gradient approximations as
well as the RTPSS meta-generalized gradient approximation yield consistently accurate
structural data for both the external and internal degrees of freedom and are
overall superior to the local-density approximation or other conventional generalized
gradient approximations for the structural characterization of KNbO3. Band-structure
calculations using a HSE-type hybrid functional further indicate significant near
degeneracies of band-edge states in all phases which are expected to be relevant
for the optical response of the material.
article_number: '3981317'
article_type: original
author:
- first_name: Falko
full_name: Schmidt, Falko
id: '35251'
last_name: Schmidt
orcid: 0000-0002-5071-5528
- first_name: Marc
full_name: Landmann, Marc
last_name: Landmann
- first_name: Eva
full_name: Rauls, Eva
last_name: Rauls
- first_name: Nicola
full_name: Argiolas, Nicola
last_name: Argiolas
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- 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
citation:
ama: Schmidt F, Landmann M, Rauls E, et al. Consistent atomic geometries and electronic
structure of five phases of potassium niobate from density-functional theory.
Advances in Materials Science and Engineering. 2017;2017. doi:10.1155/2017/3981317
apa: Schmidt, F., Landmann, M., Rauls, E., Argiolas, N., Sanna, S., Schmidt, W.
G., & Schindlmayr, A. (2017). Consistent atomic geometries and electronic
structure of five phases of potassium niobate from density-functional theory.
Advances in Materials Science and Engineering, 2017, Article 3981317.
https://doi.org/10.1155/2017/3981317
bibtex: '@article{Schmidt_Landmann_Rauls_Argiolas_Sanna_Schmidt_Schindlmayr_2017,
title={Consistent atomic geometries and electronic structure of five phases of
potassium niobate from density-functional theory}, volume={2017}, DOI={10.1155/2017/3981317},
number={3981317}, journal={Advances in Materials Science and Engineering}, publisher={Hindawi},
author={Schmidt, Falko and Landmann, Marc and Rauls, Eva and Argiolas, Nicola
and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2017} }'
chicago: Schmidt, Falko, Marc Landmann, Eva Rauls, Nicola Argiolas, Simone Sanna,
Wolf Gero Schmidt, and Arno Schindlmayr. “Consistent Atomic Geometries and Electronic
Structure of Five Phases of Potassium Niobate from Density-Functional Theory.”
Advances in Materials Science and Engineering 2017 (2017). https://doi.org/10.1155/2017/3981317.
ieee: 'F. Schmidt et al., “Consistent atomic geometries and electronic structure
of five phases of potassium niobate from density-functional theory,” Advances
in Materials Science and Engineering, vol. 2017, Art. no. 3981317, 2017, doi:
10.1155/2017/3981317.'
mla: Schmidt, Falko, et al. “Consistent Atomic Geometries and Electronic Structure
of Five Phases of Potassium Niobate from Density-Functional Theory.” Advances
in Materials Science and Engineering, vol. 2017, 3981317, Hindawi, 2017, doi:10.1155/2017/3981317.
short: F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A.
Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
date_created: 2019-05-29T07:48:32Z
date_updated: 2025-12-05T09:58:11Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1155/2017/3981317
external_id:
isi:
- '000394873300001'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T09:27:19Z
date_updated: 2020-08-30T14:37:31Z
description: Creative Commons Attribution 4.0 International Public License (CC BY
4.0)
file_id: '18538'
file_name: 3981317.pdf
file_size: 985948
relation: main_file
title: Consistent atomic geometries and electronic structure of five phases of potassium
niobate from density-functional theory
file_date_updated: 2020-08-30T14:37:31Z
has_accepted_license: '1'
intvolume: ' 2017'
isi: '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: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Advances in Materials Science and Engineering
publication_identifier:
eissn:
- 1687-8442
issn:
- 1687-8434
publication_status: published
publisher: Hindawi
quality_controlled: '1'
status: public
title: Consistent atomic geometries and electronic structure of five phases of potassium
niobate from density-functional theory
type: journal_article
user_id: '16199'
volume: 2017
year: '2017'
...
---
_id: '13353'
article_number: '31056'
author:
- first_name: Przemyslaw
full_name: Lewandowski, Przemyslaw
last_name: Lewandowski
- first_name: Samuel M. H.
full_name: Luk, Samuel M. H.
last_name: Luk
- first_name: Chris K. P.
full_name: Chan, Chris K. P.
last_name: Chan
- first_name: P. T.
full_name: Leung, P. T.
last_name: Leung
- first_name: N. H.
full_name: Kwong, N. H.
last_name: Kwong
- first_name: Rolf
full_name: Binder, Rolf
last_name: Binder
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Lewandowski P, Luk SMH, Chan CKP, et al. Directional optical switching and
transistor functionality using optical parametric oscillation in a spinor polariton
fluid. Optics Express. 2017;25(25). doi:10.1364/oe.25.031056
apa: Lewandowski, P., Luk, S. M. H., Chan, C. K. P., Leung, P. T., Kwong, N. H.,
Binder, R., & Schumacher, S. (2017). Directional optical switching and transistor
functionality using optical parametric oscillation in a spinor polariton fluid.
Optics Express, 25(25), Article 31056. https://doi.org/10.1364/oe.25.031056
bibtex: '@article{Lewandowski_Luk_Chan_Leung_Kwong_Binder_Schumacher_2017, title={Directional
optical switching and transistor functionality using optical parametric oscillation
in a spinor polariton fluid}, volume={25}, DOI={10.1364/oe.25.031056},
number={2531056}, journal={Optics Express}, author={Lewandowski, Przemyslaw and
Luk, Samuel M. H. and Chan, Chris K. P. and Leung, P. T. and Kwong, N. H. and
Binder, Rolf and Schumacher, Stefan}, year={2017} }'
chicago: Lewandowski, Przemyslaw, Samuel M. H. Luk, Chris K. P. Chan, P. T. Leung,
N. H. Kwong, Rolf Binder, and Stefan Schumacher. “Directional Optical Switching
and Transistor Functionality Using Optical Parametric Oscillation in a Spinor
Polariton Fluid.” Optics Express 25, no. 25 (2017). https://doi.org/10.1364/oe.25.031056.
ieee: 'P. Lewandowski et al., “Directional optical switching and transistor
functionality using optical parametric oscillation in a spinor polariton fluid,”
Optics Express, vol. 25, no. 25, Art. no. 31056, 2017, doi: 10.1364/oe.25.031056.'
mla: Lewandowski, Przemyslaw, et al. “Directional Optical Switching and Transistor
Functionality Using Optical Parametric Oscillation in a Spinor Polariton Fluid.”
Optics Express, vol. 25, no. 25, 31056, 2017, doi:10.1364/oe.25.031056.
short: P. Lewandowski, S.M.H. Luk, C.K.P. Chan, P.T. Leung, N.H. Kwong, R. Binder,
S. Schumacher, Optics Express 25 (2017).
date_created: 2019-09-19T13:58:49Z
date_updated: 2025-12-05T10:03:13Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1364/oe.25.031056
intvolume: ' 25'
issue: '25'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Optics Express
publication_identifier:
issn:
- 1094-4087
publication_status: published
status: public
title: Directional optical switching and transistor functionality using optical parametric
oscillation in a spinor polariton fluid
type: journal_article
user_id: '16199'
volume: 25
year: '2017'
...
---
_id: '13354'
author:
- first_name: S. M. H.
full_name: Luk, S. M. H.
last_name: Luk
- first_name: N. H.
full_name: Kwong, N. H.
last_name: Kwong
- first_name: P.
full_name: Lewandowski, P.
last_name: Lewandowski
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: R.
full_name: Binder, R.
last_name: Binder
citation:
ama: Luk SMH, Kwong NH, Lewandowski P, Schumacher S, Binder R. Optically Controlled
Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid. Physical
Review Letters. 2017;119(11). doi:10.1103/physrevlett.119.113903
apa: Luk, S. M. H., Kwong, N. H., Lewandowski, P., Schumacher, S., & Binder,
R. (2017). Optically Controlled Orbital Angular Momentum Generation in a Polaritonic
Quantum Fluid. Physical Review Letters, 119(11). https://doi.org/10.1103/physrevlett.119.113903
bibtex: '@article{Luk_Kwong_Lewandowski_Schumacher_Binder_2017, title={Optically
Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid},
volume={119}, DOI={10.1103/physrevlett.119.113903},
number={11}, journal={Physical Review Letters}, author={Luk, S. M. H. and Kwong,
N. H. and Lewandowski, P. and Schumacher, Stefan and Binder, R.}, year={2017}
}'
chicago: Luk, S. M. H., N. H. Kwong, P. Lewandowski, Stefan Schumacher, and R. Binder.
“Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum
Fluid.” Physical Review Letters 119, no. 11 (2017). https://doi.org/10.1103/physrevlett.119.113903.
ieee: 'S. M. H. Luk, N. H. Kwong, P. Lewandowski, S. Schumacher, and R. Binder,
“Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum
Fluid,” Physical Review Letters, vol. 119, no. 11, 2017, doi: 10.1103/physrevlett.119.113903.'
mla: Luk, S. M. H., et al. “Optically Controlled Orbital Angular Momentum Generation
in a Polaritonic Quantum Fluid.” Physical Review Letters, vol. 119, no.
11, 2017, doi:10.1103/physrevlett.119.113903.
short: S.M.H. Luk, N.H. Kwong, P. Lewandowski, S. Schumacher, R. Binder, Physical
Review Letters 119 (2017).
date_created: 2019-09-19T13:59:49Z
date_updated: 2025-12-05T10:02:42Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.119.113903
intvolume: ' 119'
issue: '11'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review Letters
publication_identifier:
issn:
- 0031-9007
- 1079-7114
publication_status: published
status: public
title: Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum
Fluid
type: journal_article
user_id: '16199'
volume: 119
year: '2017'
...
---
_id: '13364'
article_number: '034006'
author:
- first_name: N H
full_name: Kwong, N H
last_name: Kwong
- first_name: C Y
full_name: Tsang, C Y
last_name: Tsang
- first_name: Samuel M H
full_name: Luk, Samuel M H
last_name: Luk
- first_name: Y C
full_name: Tse, Y C
last_name: Tse
- first_name: Chris K P
full_name: Chan, Chris K P
last_name: Chan
- first_name: P
full_name: Lewandowski, P
last_name: Lewandowski
- first_name: P T
full_name: Leung, P T
last_name: Leung
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: R
full_name: Binder, R
last_name: Binder
citation:
ama: Kwong NH, Tsang CY, Luk SMH, et al. Optical switching of polariton density
patterns in a semiconductor microcavity. Physica Scripta. Published online
2017. doi:10.1088/1402-4896/aa58f6
apa: Kwong, N. H., Tsang, C. Y., Luk, S. M. H., Tse, Y. C., Chan, C. K. P., Lewandowski,
P., Leung, P. T., Schumacher, S., & Binder, R. (2017). Optical switching of
polariton density patterns in a semiconductor microcavity. Physica Scripta,
Article 034006. https://doi.org/10.1088/1402-4896/aa58f6
bibtex: '@article{Kwong_Tsang_Luk_Tse_Chan_Lewandowski_Leung_Schumacher_Binder_2017,
title={Optical switching of polariton density patterns in a semiconductor microcavity},
DOI={10.1088/1402-4896/aa58f6},
number={034006}, journal={Physica Scripta}, author={Kwong, N H and Tsang, C Y
and Luk, Samuel M H and Tse, Y C and Chan, Chris K P and Lewandowski, P and Leung,
P T and Schumacher, Stefan and Binder, R}, year={2017} }'
chicago: Kwong, N H, C Y Tsang, Samuel M H Luk, Y C Tse, Chris K P Chan, P Lewandowski,
P T Leung, Stefan Schumacher, and R Binder. “Optical Switching of Polariton Density
Patterns in a Semiconductor Microcavity.” Physica Scripta, 2017. https://doi.org/10.1088/1402-4896/aa58f6.
ieee: 'N. H. Kwong et al., “Optical switching of polariton density patterns
in a semiconductor microcavity,” Physica Scripta, Art. no. 034006, 2017,
doi: 10.1088/1402-4896/aa58f6.'
mla: Kwong, N. H., et al. “Optical Switching of Polariton Density Patterns in a
Semiconductor Microcavity.” Physica Scripta, 034006, 2017, doi:10.1088/1402-4896/aa58f6.
short: N.H. Kwong, C.Y. Tsang, S.M.H. Luk, Y.C. Tse, C.K.P. Chan, P. Lewandowski,
P.T. Leung, S. Schumacher, R. Binder, Physica Scripta (2017).
date_created: 2019-09-19T14:29:54Z
date_updated: 2025-12-05T10:01:39Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '27'
doi: 10.1088/1402-4896/aa58f6
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physica Scripta
publication_identifier:
issn:
- 0031-8949
- 1402-4896
publication_status: published
status: public
title: Optical switching of polariton density patterns in a semiconductor microcavity
type: journal_article
user_id: '16199'
year: '2017'
...
---
_id: '13360'
author:
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Felix
full_name: Plasser, Felix
last_name: Plasser
- first_name: Gordon J.
full_name: Hedley, Gordon J.
last_name: Hedley
- first_name: Arvydas
full_name: Ruseckas, Arvydas
last_name: Ruseckas
- first_name: Ifor D. W.
full_name: Samuel, Ifor D. W.
last_name: Samuel
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Wiebeler C, Plasser F, Hedley GJ, Ruseckas A, Samuel IDW, Schumacher S. Ultrafast
Electronic Energy Transfer in an Orthogonal Molecular Dyad. The Journal of
Physical Chemistry Letters. Published online 2017:1086-1092. doi:10.1021/acs.jpclett.7b00089
apa: Wiebeler, C., Plasser, F., Hedley, G. J., Ruseckas, A., Samuel, I. D. W., &
Schumacher, S. (2017). Ultrafast Electronic Energy Transfer in an Orthogonal Molecular
Dyad. The Journal of Physical Chemistry Letters, 1086–1092. https://doi.org/10.1021/acs.jpclett.7b00089
bibtex: '@article{Wiebeler_Plasser_Hedley_Ruseckas_Samuel_Schumacher_2017, title={Ultrafast
Electronic Energy Transfer in an Orthogonal Molecular Dyad}, DOI={10.1021/acs.jpclett.7b00089},
journal={The Journal of Physical Chemistry Letters}, author={Wiebeler, Christian
and Plasser, Felix and Hedley, Gordon J. and Ruseckas, Arvydas and Samuel, Ifor
D. W. and Schumacher, Stefan}, year={2017}, pages={1086–1092} }'
chicago: Wiebeler, Christian, Felix Plasser, Gordon J. Hedley, Arvydas Ruseckas,
Ifor D. W. Samuel, and Stefan Schumacher. “Ultrafast Electronic Energy Transfer
in an Orthogonal Molecular Dyad.” The Journal of Physical Chemistry Letters,
2017, 1086–92. https://doi.org/10.1021/acs.jpclett.7b00089.
ieee: 'C. Wiebeler, F. Plasser, G. J. Hedley, A. Ruseckas, I. D. W. Samuel, and
S. Schumacher, “Ultrafast Electronic Energy Transfer in an Orthogonal Molecular
Dyad,” The Journal of Physical Chemistry Letters, pp. 1086–1092, 2017,
doi: 10.1021/acs.jpclett.7b00089.'
mla: Wiebeler, Christian, et al. “Ultrafast Electronic Energy Transfer in an Orthogonal
Molecular Dyad.” The Journal of Physical Chemistry Letters, 2017, pp. 1086–92,
doi:10.1021/acs.jpclett.7b00089.
short: C. Wiebeler, F. Plasser, G.J. Hedley, A. Ruseckas, I.D.W. Samuel, S. Schumacher,
The Journal of Physical Chemistry Letters (2017) 1086–1092.
date_created: 2019-09-19T14:21:34Z
date_updated: 2025-12-05T10:02:19Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1021/acs.jpclett.7b00089
language:
- iso: eng
page: 1086-1092
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry Letters
publication_identifier:
issn:
- 1948-7185
publication_status: published
status: public
title: Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad
type: journal_article
user_id: '16199'
year: '2017'
...
---
_id: '10021'
abstract:
- lang: eng
text: The optical properties of pristine and titanium-doped LiNbO3 are modeled from
first principles. The dielectric functions are calculated within time-dependent
density-functional theory, and a model long-range contribution is employed for
the exchange-correlation kernel in order to account for the electron-hole binding.
Our study focuses on the influence of substitutional titanium atoms on lithium
sites. We show that an increasing titanium concentration enhances the values of
the refractive indices and the reflectivity.
article_number: '034401'
article_type: original
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. Optical properties of titanium-doped
lithium niobate from time-dependent density-functional theory. Physical Review
Materials. 2017;1(3). doi:10.1103/PhysRevMaterials.1.034401
apa: Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Optical
properties of titanium-doped lithium niobate from time-dependent density-functional
theory. Physical Review Materials, 1(3), Article 034401. https://doi.org/10.1103/PhysRevMaterials.1.034401
bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties
of titanium-doped lithium niobate from time-dependent density-functional theory},
volume={1}, DOI={10.1103/PhysRevMaterials.1.034401},
number={3034401}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno
and Sanna, Simone}, year={2017} }'
chicago: Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna.
“Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional
Theory.” Physical Review Materials 1, no. 3 (2017). https://doi.org/10.1103/PhysRevMaterials.1.034401.
ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties
of titanium-doped lithium niobate from time-dependent density-functional theory,”
Physical Review Materials, vol. 1, no. 3, Art. no. 034401, 2017, doi: 10.1103/PhysRevMaterials.1.034401.'
mla: Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate
from Time-Dependent Density-Functional Theory.” Physical Review Materials,
vol. 1, no. 3, 034401, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.034401.
short: M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials
1 (2017).
date_created: 2019-05-29T07:42:33Z
date_updated: 2025-12-05T10:07:07Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '27'
doi: 10.1103/PhysRevMaterials.1.034401
external_id:
isi:
- '000416562300001'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-27T19:39:54Z
date_updated: 2020-08-30T14:36:11Z
description: © 2017 American Physical Society
file_id: '18467'
file_name: PhysRevMaterials.1.034401.pdf
file_size: 708075
relation: main_file
title: Optical properties of titanium-doped lithium niobate from time-dependent
density-functional theory
file_date_updated: 2020-08-30T14:36:11Z
has_accepted_license: '1'
intvolume: ' 1'
isi: '1'
issue: '3'
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: '68'
name: TRR 142 - Subproject B3
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
record:
- id: '13410'
relation: other
status: public
status: public
title: Optical properties of titanium-doped lithium niobate from time-dependent density-functional
theory
type: journal_article
user_id: '16199'
volume: 1
year: '2017'
...
---
_id: '13424'
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: F.
full_name: Allegretti, F.
last_name: Allegretti
- first_name: D. A.
full_name: Duncan, D. A.
last_name: Duncan
- first_name: S.
full_name: Tebi, S.
last_name: Tebi
- first_name: P. S.
full_name: Deimel, P. S.
last_name: Deimel
- first_name: P.
full_name: Casado Aguilar, P.
last_name: Casado Aguilar
- first_name: Y.-Q.
full_name: Zhang, Y.-Q.
last_name: Zhang
- first_name: A. C.
full_name: Papageorgiou, A. C.
last_name: Papageorgiou
- first_name: R.
full_name: Koch, R.
last_name: Koch
- first_name: J. V.
full_name: Barth, J. V.
last_name: Barth
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: S.
full_name: Müllegger, S.
last_name: Müllegger
- first_name: W.
full_name: Schöfberger, W.
last_name: Schöfberger
- first_name: F.
full_name: Klappenberger, F.
last_name: Klappenberger
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
citation:
ama: 'Aldahhak H, Paszkiewicz M, Allegretti F, et al. X-ray Spectroscopy of Thin
Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization.
The Journal of Physical Chemistry C. 2017;121:2192-2200. doi:10.1021/acs.jpcc.6b09935'
apa: 'Aldahhak, H., Paszkiewicz, M., Allegretti, F., Duncan, D. A., Tebi, S., Deimel,
P. S., Casado Aguilar, P., Zhang, Y.-Q., Papageorgiou, A. C., Koch, R., Barth,
J. V., Schmidt, W. G., Müllegger, S., Schöfberger, W., Klappenberger, F., Rauls,
E., & Gerstmann, U. (2017). X-ray Spectroscopy of Thin Film Free-Base Corroles:
A Combined Theoretical and Experimental Characterization. The Journal of Physical
Chemistry C, 121, 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935'
bibtex: '@article{Aldahhak_Paszkiewicz_Allegretti_Duncan_Tebi_Deimel_Casado Aguilar_Zhang_Papageorgiou_Koch_et
al._2017, title={X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined
Theoretical and Experimental Characterization}, volume={121}, DOI={10.1021/acs.jpcc.6b09935},
journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Paszkiewicz,
M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado
Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and et al.},
year={2017}, pages={2192–2200} }'
chicago: 'Aldahhak, Hazem, M. Paszkiewicz, F. Allegretti, D. A. Duncan, S. Tebi,
P. S. Deimel, P. Casado Aguilar, et al. “X-Ray Spectroscopy of Thin Film Free-Base
Corroles: A Combined Theoretical and Experimental Characterization.” The Journal
of Physical Chemistry C 121 (2017): 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935.'
ieee: 'H. Aldahhak et al., “X-ray Spectroscopy of Thin Film Free-Base Corroles:
A Combined Theoretical and Experimental Characterization,” The Journal of Physical
Chemistry C, vol. 121, pp. 2192–2200, 2017, doi: 10.1021/acs.jpcc.6b09935.'
mla: 'Aldahhak, Hazem, et al. “X-Ray Spectroscopy of Thin Film Free-Base Corroles:
A Combined Theoretical and Experimental Characterization.” The Journal of Physical
Chemistry C, vol. 121, 2017, pp. 2192–200, doi:10.1021/acs.jpcc.6b09935.'
short: H. Aldahhak, M. Paszkiewicz, F. Allegretti, D.A. Duncan, S. Tebi, P.S. Deimel,
P. Casado Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, R. Koch, J.V. Barth, W.G. Schmidt,
S. Müllegger, W. Schöfberger, F. Klappenberger, E. Rauls, U. Gerstmann, The Journal
of Physical Chemistry C 121 (2017) 2192–2200.
date_created: 2019-09-20T12:14:02Z
date_updated: 2025-12-05T10:09:30Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcc.6b09935
funded_apc: '1'
intvolume: ' 121'
language:
- iso: eng
page: 2192-2200
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical
and Experimental Characterization'
type: journal_article
user_id: '16199'
volume: 121
year: '2017'
...
---
_id: '13423'
author:
- first_name: Stefano
full_name: Tebi, Stefano
last_name: Tebi
- first_name: Mateusz
full_name: Paszkiewicz, Mateusz
last_name: Paszkiewicz
- first_name: Hazem
full_name: Aldahhak, Hazem
last_name: Aldahhak
- first_name: Francesco
full_name: Allegretti, Francesco
last_name: Allegretti
- first_name: Sabrina
full_name: Gonglach, Sabrina
last_name: Gonglach
- first_name: Michael
full_name: Haas, Michael
last_name: Haas
- first_name: Mario
full_name: Waser, Mario
last_name: Waser
- first_name: Peter S.
full_name: Deimel, Peter S.
last_name: Deimel
- first_name: Pablo Casado
full_name: Aguilar, Pablo Casado
last_name: Aguilar
- first_name: Yi-Qi
full_name: Zhang, Yi-Qi
last_name: Zhang
- first_name: Anthoula C.
full_name: Papageorgiou, Anthoula C.
last_name: Papageorgiou
- first_name: David A.
full_name: Duncan, David A.
last_name: Duncan
- first_name: Johannes V.
full_name: Barth, Johannes V.
last_name: Barth
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Reinhold
full_name: Koch, Reinhold
last_name: Koch
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Eva
full_name: Rauls, Eva
last_name: Rauls
- first_name: Florian
full_name: Klappenberger, Florian
last_name: Klappenberger
- first_name: Wolfgang
full_name: Schöfberger, Wolfgang
last_name: Schöfberger
- first_name: Stefan
full_name: Müllegger, Stefan
last_name: Müllegger
citation:
ama: Tebi S, Paszkiewicz M, Aldahhak H, et al. On-Surface Site-Selective Cyclization
of Corrole Radicals. ACS Nano. Published online 2017:3383-3391. doi:10.1021/acsnano.7b00766
apa: Tebi, S., Paszkiewicz, M., Aldahhak, H., Allegretti, F., Gonglach, S., Haas,
M., Waser, M., Deimel, P. S., Aguilar, P. C., Zhang, Y.-Q., Papageorgiou, A. C.,
Duncan, D. A., Barth, J. V., Schmidt, W. G., Koch, R., Gerstmann, U., Rauls, E.,
Klappenberger, F., Schöfberger, W., & Müllegger, S. (2017). On-Surface Site-Selective
Cyclization of Corrole Radicals. ACS Nano, 3383–3391. https://doi.org/10.1021/acsnano.7b00766
bibtex: '@article{Tebi_Paszkiewicz_Aldahhak_Allegretti_Gonglach_Haas_Waser_Deimel_Aguilar_Zhang_et
al._2017, title={On-Surface Site-Selective Cyclization of Corrole Radicals}, DOI={10.1021/acsnano.7b00766}, journal={ACS
Nano}, author={Tebi, Stefano and Paszkiewicz, Mateusz and Aldahhak, Hazem and
Allegretti, Francesco and Gonglach, Sabrina and Haas, Michael and Waser, Mario
and Deimel, Peter S. and Aguilar, Pablo Casado and Zhang, Yi-Qi and et al.}, year={2017},
pages={3383–3391} }'
chicago: Tebi, Stefano, Mateusz Paszkiewicz, Hazem Aldahhak, Francesco Allegretti,
Sabrina Gonglach, Michael Haas, Mario Waser, et al. “On-Surface Site-Selective
Cyclization of Corrole Radicals.” ACS Nano, 2017, 3383–91. https://doi.org/10.1021/acsnano.7b00766.
ieee: 'S. Tebi et al., “On-Surface Site-Selective Cyclization of Corrole
Radicals,” ACS Nano, pp. 3383–3391, 2017, doi: 10.1021/acsnano.7b00766.'
mla: Tebi, Stefano, et al. “On-Surface Site-Selective Cyclization of Corrole Radicals.”
ACS Nano, 2017, pp. 3383–91, doi:10.1021/acsnano.7b00766.
short: S. Tebi, M. Paszkiewicz, H. Aldahhak, F. Allegretti, S. Gonglach, M. Haas,
M. Waser, P.S. Deimel, P.C. Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, D.A. Duncan,
J.V. Barth, W.G. Schmidt, R. Koch, U. Gerstmann, E. Rauls, F. Klappenberger, W.
Schöfberger, S. Müllegger, ACS Nano (2017) 3383–3391.
date_created: 2019-09-20T12:12:27Z
date_updated: 2025-12-05T10:10:16Z
department:
- _id: '15'
- _id: '295'
- _id: '170'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1021/acsnano.7b00766
language:
- iso: eng
page: 3383-3391
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: ACS Nano
publication_identifier:
issn:
- 1936-0851
- 1936-086X
publication_status: published
status: public
title: On-Surface Site-Selective Cyclization of Corrole Radicals
type: journal_article
user_id: '16199'
year: '2017'
...
---
_id: '13426'
author:
- first_name: F.
full_name: Edler, F.
last_name: Edler
- first_name: I.
full_name: Miccoli, I.
last_name: Miccoli
- first_name: J. P.
full_name: Stöckmann, J. P.
last_name: Stöckmann
- first_name: H.
full_name: Pfnür, H.
last_name: Pfnür
- first_name: Christian
full_name: Braun, Christian
id: '28675'
last_name: Braun
orcid: 0000-0002-3224-2683
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: C.
full_name: Tegenkamp, C.
last_name: Tegenkamp
citation:
ama: Edler F, Miccoli I, Stöckmann JP, et al. Tuning the conductivity along atomic
chains by selective chemisorption. Physical Review B. 2017;95(12). doi:10.1103/physrevb.95.125409
apa: Edler, F., Miccoli, I., Stöckmann, J. P., Pfnür, H., Braun, C., Neufeld, S.,
Sanna, S., Schmidt, W. G., & Tegenkamp, C. (2017). Tuning the conductivity
along atomic chains by selective chemisorption. Physical Review B, 95(12).
https://doi.org/10.1103/physrevb.95.125409
bibtex: '@article{Edler_Miccoli_Stöckmann_Pfnür_Braun_Neufeld_Sanna_Schmidt_Tegenkamp_2017,
title={Tuning the conductivity along atomic chains by selective chemisorption},
volume={95}, DOI={10.1103/physrevb.95.125409},
number={12}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and
Stöckmann, J. P. and Pfnür, H. and Braun, Christian and Neufeld, Sergej and Sanna,
S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2017} }'
chicago: Edler, F., I. Miccoli, J. P. Stöckmann, H. Pfnür, Christian Braun, Sergej
Neufeld, S. Sanna, Wolf Gero Schmidt, and C. Tegenkamp. “Tuning the Conductivity
along Atomic Chains by Selective Chemisorption.” Physical Review B 95,
no. 12 (2017). https://doi.org/10.1103/physrevb.95.125409.
ieee: 'F. Edler et al., “Tuning the conductivity along atomic chains by selective
chemisorption,” Physical Review B, vol. 95, no. 12, 2017, doi: 10.1103/physrevb.95.125409.'
mla: Edler, F., et al. “Tuning the Conductivity along Atomic Chains by Selective
Chemisorption.” Physical Review B, vol. 95, no. 12, 2017, doi:10.1103/physrevb.95.125409.
short: F. Edler, I. Miccoli, J.P. Stöckmann, H. Pfnür, C. Braun, S. Neufeld, S.
Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B 95 (2017).
date_created: 2019-09-20T12:16:39Z
date_updated: 2025-12-05T10:08:17Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.95.125409
funded_apc: '1'
intvolume: ' 95'
issue: '12'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Tuning the conductivity along atomic chains by selective chemisorption
type: journal_article
user_id: '16199'
volume: 95
year: '2017'
...
---
_id: '13427'
author:
- first_name: Daijiro
full_name: Nozaki, Daijiro
last_name: Nozaki
- first_name: Andreas
full_name: Lücke, Andreas
last_name: Lücke
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Nozaki D, Lücke A, Schmidt WG. Molecular Orbital Rule for Quantum Interference
in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital
Level Crossing. The Journal of Physical Chemistry Letters. Published online
2017:727-732. doi:10.1021/acs.jpclett.6b02989'
apa: 'Nozaki, D., Lücke, A., & Schmidt, W. G. (2017). Molecular Orbital Rule
for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity
Switching Induced by Orbital Level Crossing. The Journal of Physical Chemistry
Letters, 727–732. https://doi.org/10.1021/acs.jpclett.6b02989'
bibtex: '@article{Nozaki_Lücke_Schmidt_2017, title={Molecular Orbital Rule for Quantum
Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching
Induced by Orbital Level Crossing}, DOI={10.1021/acs.jpclett.6b02989},
journal={The Journal of Physical Chemistry Letters}, author={Nozaki, Daijiro and
Lücke, Andreas and Schmidt, Wolf Gero}, year={2017}, pages={727–732} }'
chicago: 'Nozaki, Daijiro, Andreas Lücke, and Wolf Gero Schmidt. “Molecular Orbital
Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity
Switching Induced by Orbital Level Crossing.” The Journal of Physical Chemistry
Letters, 2017, 727–32. https://doi.org/10.1021/acs.jpclett.6b02989.'
ieee: 'D. Nozaki, A. Lücke, and W. G. Schmidt, “Molecular Orbital Rule for Quantum
Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching
Induced by Orbital Level Crossing,” The Journal of Physical Chemistry Letters,
pp. 727–732, 2017, doi: 10.1021/acs.jpclett.6b02989.'
mla: 'Nozaki, Daijiro, et al. “Molecular Orbital Rule for Quantum Interference in
Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital
Level Crossing.” The Journal of Physical Chemistry Letters, 2017, pp. 727–32,
doi:10.1021/acs.jpclett.6b02989.'
short: D. Nozaki, A. Lücke, W.G. Schmidt, The Journal of Physical Chemistry Letters
(2017) 727–732.
date_created: 2019-09-20T12:18:11Z
date_updated: 2025-12-05T10:07:43Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpclett.6b02989
language:
- iso: eng
page: 727-732
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry Letters
publication_identifier:
issn:
- 1948-7185
publication_status: published
status: public
title: 'Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers:
Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing'
type: journal_article
user_id: '16199'
year: '2017'
...
---
_id: '13425'
author:
- first_name: M.
full_name: Rohrmüller, M.
last_name: Rohrmüller
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
citation:
ama: Rohrmüller M, Schmidt WG, Gerstmann U. Electron paramagnetic resonance calculations
for hydrogenated Si surfaces. Physical Review B. 2017;95(12). doi:10.1103/physrevb.95.125310
apa: Rohrmüller, M., Schmidt, W. G., & Gerstmann, U. (2017). Electron paramagnetic
resonance calculations for hydrogenated Si surfaces. Physical Review B,
95(12). https://doi.org/10.1103/physrevb.95.125310
bibtex: '@article{Rohrmüller_Schmidt_Gerstmann_2017, title={Electron paramagnetic
resonance calculations for hydrogenated Si surfaces}, volume={95}, DOI={10.1103/physrevb.95.125310},
number={12}, journal={Physical Review B}, author={Rohrmüller, M. and Schmidt,
Wolf Gero and Gerstmann, Uwe}, year={2017} }'
chicago: Rohrmüller, M., Wolf Gero Schmidt, and Uwe Gerstmann. “Electron Paramagnetic
Resonance Calculations for Hydrogenated Si Surfaces.” Physical Review B
95, no. 12 (2017). https://doi.org/10.1103/physrevb.95.125310.
ieee: 'M. Rohrmüller, W. G. Schmidt, and U. Gerstmann, “Electron paramagnetic resonance
calculations for hydrogenated Si surfaces,” Physical Review B, vol. 95,
no. 12, 2017, doi: 10.1103/physrevb.95.125310.'
mla: Rohrmüller, M., et al. “Electron Paramagnetic Resonance Calculations for Hydrogenated
Si Surfaces.” Physical Review B, vol. 95, no. 12, 2017, doi:10.1103/physrevb.95.125310.
short: M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review B 95 (2017).
date_created: 2019-09-20T12:15:36Z
date_updated: 2025-12-05T10:08:55Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1103/physrevb.95.125310
funded_apc: '1'
intvolume: ' 95'
issue: '12'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Electron paramagnetic resonance calculations for hydrogenated Si surfaces
type: journal_article
user_id: '16199'
volume: 95
year: '2017'
...
---
_id: '13416'
abstract:
- lang: eng
text: 'The optical properties of congruent lithium niobate are analyzed from first
principles. The dielectric function of the material is calculated within time-dependent
density-functional theory. The effects of isolated intrinsic defects and defect
pairs, including the NbLi4+ antisite and the NbLi4+−NbNb4+ pair, commonly addressed
as a bound polaron and bipolaron, respectively, are discussed in detail. In addition,
we present further possible realizations of polaronic and bipolaronic systems.
The absorption feature around 1.64 eV, ascribed to small bound polarons [O. F.
Schirmer et al., J. Phys.: Condens. Matter 21, 123201 (2009)], is nicely reproduced
within these models. Among the investigated defects, we find that the presence
of bipolarons at bound interstitial-vacancy pairs NbV−VLi can best explain the
experimentally observed broad absorption band at 2.5 eV. Our results provide a
microscopic model for the observed optical spectra and suggest that, besides NbLi
antisites and Nb and Li vacancies, Nb interstitials are also formed in congruent
lithium-niobate samples.'
article_number: '054406'
article_type: original
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. Polaron optical absorption
in congruent lithium niobate from time-dependent density-functional theory. Physical
Review Materials. 2017;1(5). doi:10.1103/PhysRevMaterials.1.054406
apa: Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Polaron
optical absorption in congruent lithium niobate from time-dependent density-functional
theory. Physical Review Materials, 1(5), Article 054406. https://doi.org/10.1103/PhysRevMaterials.1.054406
bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Polaron optical
absorption in congruent lithium niobate from time-dependent density-functional
theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.054406},
number={5054406}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno
and Sanna, Simone}, year={2017} }'
chicago: Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna.
“Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional
Theory.” Physical Review Materials 1, no. 5 (2017). https://doi.org/10.1103/PhysRevMaterials.1.054406.
ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical
absorption in congruent lithium niobate from time-dependent density-functional
theory,” Physical Review Materials, vol. 1, no. 5, Art. no. 054406, 2017,
doi: 10.1103/PhysRevMaterials.1.054406.'
mla: Friedrich, Michael, et al. “Polaron Optical Absorption in Congruent Lithium
Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials,
vol. 1, no. 5, 054406, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.054406.
short: M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials
1 (2017).
date_created: 2019-09-20T11:54:25Z
date_updated: 2025-12-05T10:14:23Z
ddc:
- '530'
department:
- _id: '296'
- _id: '295'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '15'
- _id: '27'
doi: 10.1103/PhysRevMaterials.1.054406
external_id:
isi:
- '000416586100003'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-27T19:43:49Z
date_updated: 2020-08-30T14:38:50Z
description: © 2017 American Physical Society
file_id: '18468'
file_name: PhysRevMaterials.1.054406.pdf
file_size: 1417182
relation: main_file
title: Polaron optical absorption in congruent lithium niobate from time-dependent
density-functional theory
file_date_updated: 2020-08-30T14:38:50Z
has_accepted_license: '1'
intvolume: ' 1'
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: '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'
status: public
title: Polaron optical absorption in congruent lithium niobate from time-dependent
density-functional theory
type: journal_article
user_id: '16199'
volume: 1
year: '2017'
...
---
_id: '13419'
author:
- first_name: T.
full_name: Frigge, T.
last_name: Frigge
- first_name: B.
full_name: Hafke, B.
last_name: Hafke
- first_name: T.
full_name: Witte, T.
last_name: Witte
- first_name: B.
full_name: Krenzer, B.
last_name: Krenzer
- first_name: C.
full_name: Streubühr, C.
last_name: Streubühr
- first_name: A.
full_name: Samad Syed, A.
last_name: Samad Syed
- first_name: V.
full_name: Mikšić Trontl, V.
last_name: Mikšić Trontl
- first_name: I.
full_name: Avigo, I.
last_name: Avigo
- first_name: P.
full_name: Zhou, P.
last_name: Zhou
- first_name: M.
full_name: Ligges, M.
last_name: Ligges
- first_name: D.
full_name: von der Linde, D.
last_name: von der Linde
- first_name: U.
full_name: Bovensiepen, U.
last_name: Bovensiepen
- first_name: M.
full_name: Horn-von Hoegen, M.
last_name: Horn-von Hoegen
- first_name: S.
full_name: Wippermann, S.
last_name: Wippermann
- first_name: A.
full_name: Lücke, A.
last_name: Lücke
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- 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: Frigge T, Hafke B, Witte T, et al. Optically excited structural transition
in atomic wires on surfaces at the quantum limit. Nature. 2017;544:207-211.
doi:10.1038/nature21432
apa: Frigge, T., Hafke, B., Witte, T., Krenzer, B., Streubühr, C., Samad Syed, A.,
Mikšić Trontl, V., Avigo, I., Zhou, P., Ligges, M., von der Linde, D., Bovensiepen,
U., Horn-von Hoegen, M., Wippermann, S., Lücke, A., Sanna, S., Gerstmann, U.,
& Schmidt, W. G. (2017). Optically excited structural transition in atomic
wires on surfaces at the quantum limit. Nature, 544, 207–211. https://doi.org/10.1038/nature21432
bibtex: '@article{Frigge_Hafke_Witte_Krenzer_Streubühr_Samad Syed_Mikšić Trontl_Avigo_Zhou_Ligges_et
al._2017, title={Optically excited structural transition in atomic wires on surfaces
at the quantum limit}, volume={544}, DOI={10.1038/nature21432},
journal={Nature}, author={Frigge, T. and Hafke, B. and Witte, T. and Krenzer,
B. and Streubühr, C. and Samad Syed, A. and Mikšić Trontl, V. and Avigo, I. and
Zhou, P. and Ligges, M. and et al.}, year={2017}, pages={207–211} }'
chicago: 'Frigge, T., B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed,
V. Mikšić Trontl, et al. “Optically Excited Structural Transition in Atomic Wires
on Surfaces at the Quantum Limit.” Nature 544 (2017): 207–11. https://doi.org/10.1038/nature21432.'
ieee: 'T. Frigge et al., “Optically excited structural transition in atomic
wires on surfaces at the quantum limit,” Nature, vol. 544, pp. 207–211,
2017, doi: 10.1038/nature21432.'
mla: Frigge, T., et al. “Optically Excited Structural Transition in Atomic Wires
on Surfaces at the Quantum Limit.” Nature, vol. 544, 2017, pp. 207–11,
doi:10.1038/nature21432.
short: T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V.
Mikšić Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen,
M. Horn-von Hoegen, S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W.G. Schmidt,
Nature 544 (2017) 207–211.
date_created: 2019-09-20T12:01:03Z
date_updated: 2025-12-05T10:12:52Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1038/nature21432
funded_apc: '1'
intvolume: ' 544'
language:
- iso: eng
page: 207-211
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Nature
publication_identifier:
issn:
- 0028-0836
- 1476-4687
publication_status: published
status: public
title: Optically excited structural transition in atomic wires on surfaces at the
quantum limit
type: journal_article
user_id: '16199'
volume: 544
year: '2017'
...
---
_id: '13421'
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;95(15). 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, 95(15). 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},
volume={95}, DOI={10.1103/physrevb.95.155310},
number={15}, 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 95, no. 15 (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, vol. 95, no. 15, 2017, doi: 10.1103/physrevb.95.155310.'
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,
vol. 95, no. 15, 2017, doi:10.1103/physrevb.95.155310.'
short: M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).
date_created: 2019-09-20T12:04:03Z
date_updated: 2025-12-05T10:11:42Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
- _id: '429'
doi: 10.1103/physrevb.95.155310
funded_apc: '1'
intvolume: ' 95'
issue: '15'
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: '66'
name: TRR 142 - Subproject B1
- _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'
volume: 95
year: '2017'
...
---
_id: '13415'
author:
- first_name: Christian
full_name: Braun, Christian
id: '28675'
last_name: Braun
orcid: 0000-0002-3224-2683
- first_name: Conor
full_name: Hogan, Conor
last_name: Hogan
- first_name: Sandhya
full_name: Chandola, Sandhya
last_name: Chandola
- first_name: Norbert
full_name: Esser, Norbert
last_name: Esser
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Braun C, Hogan C, Chandola S, Esser N, Sanna S, Schmidt WG. Si(775)-Au atomic
chains: Geometry, optical properties, and spin order. Physical Review Materials.
2017;1(5). doi:10.1103/physrevmaterials.1.055002'
apa: 'Braun, C., Hogan, C., Chandola, S., Esser, N., Sanna, S., & Schmidt, W.
G. (2017). Si(775)-Au atomic chains: Geometry, optical properties, and spin order.
Physical Review Materials, 1(5). https://doi.org/10.1103/physrevmaterials.1.055002'
bibtex: '@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au
atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={10.1103/physrevmaterials.1.055002},
number={5}, journal={Physical Review Materials}, author={Braun, Christian and
Hogan, Conor and Chandola, Sandhya and Esser, Norbert and Sanna, Simone and Schmidt,
Wolf Gero}, year={2017} }'
chicago: 'Braun, Christian, Conor Hogan, Sandhya Chandola, Norbert Esser, Simone
Sanna, and Wolf Gero Schmidt. “Si(775)-Au Atomic Chains: Geometry, Optical Properties,
and Spin Order.” Physical Review Materials 1, no. 5 (2017). https://doi.org/10.1103/physrevmaterials.1.055002.'
ieee: 'C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, and W. G. Schmidt, “Si(775)-Au
atomic chains: Geometry, optical properties, and spin order,” Physical Review
Materials, vol. 1, no. 5, 2017, doi: 10.1103/physrevmaterials.1.055002.'
mla: 'Braun, Christian, et al. “Si(775)-Au Atomic Chains: Geometry, Optical Properties,
and Spin Order.” Physical Review Materials, vol. 1, no. 5, 2017, doi:10.1103/physrevmaterials.1.055002.'
short: C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, W.G. Schmidt, Physical
Review Materials 1 (2017).
date_created: 2019-09-20T11:48:15Z
date_updated: 2025-12-05T10:14:46Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevmaterials.1.055002
funded_apc: '1'
intvolume: ' 1'
issue: '5'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: 'Si(775)-Au atomic chains: Geometry, optical properties, and spin order'
type: journal_article
user_id: '16199'
volume: 1
year: '2017'
...
---
_id: '13422'
author:
- first_name: Matthias
full_name: Witte, Matthias
last_name: Witte
- first_name: Martin
full_name: Rohrmüller, Martin
last_name: Rohrmüller
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Gerald
full_name: Henkel, Gerald
last_name: Henkel
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Sonja
full_name: Herres-Pawlis, Sonja
last_name: Herres-Pawlis
citation:
ama: 'Witte M, Rohrmüller M, Gerstmann U, Henkel G, Schmidt WG, Herres-Pawlis S.
[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons
on a torus. Journal of Computational Chemistry. Published online 2017:1752-1761.
doi:10.1002/jcc.24798'
apa: 'Witte, M., Rohrmüller, M., Gerstmann, U., Henkel, G., Schmidt, W. G., &
Herres-Pawlis, S. (2017). [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives:
Confining electrons on a torus. Journal of Computational Chemistry, 1752–1761.
https://doi.org/10.1002/jcc.24798'
bibtex: '@article{Witte_Rohrmüller_Gerstmann_Henkel_Schmidt_Herres-Pawlis_2017,
title={[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons
on a torus}, DOI={10.1002/jcc.24798},
journal={Journal of Computational Chemistry}, author={Witte, Matthias and Rohrmüller,
Martin and Gerstmann, Uwe and Henkel, Gerald and Schmidt, Wolf Gero and Herres-Pawlis,
Sonja}, year={2017}, pages={1752–1761} }'
chicago: 'Witte, Matthias, Martin Rohrmüller, Uwe Gerstmann, Gerald Henkel, Wolf
Gero Schmidt, and Sonja Herres-Pawlis. “[Cu6(NGuaS)6]2+ and Its Oxidized and Reduced
Derivatives: Confining Electrons on a Torus.” Journal of Computational Chemistry,
2017, 1752–61. https://doi.org/10.1002/jcc.24798.'
ieee: 'M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W. G. Schmidt, and S. Herres-Pawlis,
“[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons
on a torus,” Journal of Computational Chemistry, pp. 1752–1761, 2017, doi:
10.1002/jcc.24798.'
mla: 'Witte, Matthias, et al. “[Cu6(NGuaS)6]2+ and Its Oxidized and Reduced Derivatives:
Confining Electrons on a Torus.” Journal of Computational Chemistry, 2017,
pp. 1752–61, doi:10.1002/jcc.24798.'
short: M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis,
Journal of Computational Chemistry (2017) 1752–1761.
date_created: 2019-09-20T12:05:10Z
date_updated: 2025-12-05T10:11:02Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '305'
- _id: '2'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1002/jcc.24798
funded_apc: '1'
language:
- iso: eng
page: 1752-1761
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Computational Chemistry
publication_identifier:
issn:
- 0192-8651
publication_status: published
status: public
title: '[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons
on a torus'
type: journal_article
user_id: '16199'
year: '2017'
...