---
_id: '13509'
author:
- first_name: Deok Mahn
full_name: Oh, Deok Mahn
last_name: Oh
- first_name: S.
full_name: Wippermann, S.
last_name: Wippermann
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Han Woong
full_name: Yeom, Han Woong
last_name: Yeom
citation:
ama: 'Oh DM, Wippermann S, Schmidt WG, Yeom HW. Oxygen adsorbates on the Si(111)4×1-In
metallic atomic wire: Scanning tunneling microscopy and density-functional theory
calculations. Physical Review B. 2014;90(15). doi:10.1103/physrevb.90.155432'
apa: 'Oh, D. M., Wippermann, S., Schmidt, W. G., & Yeom, H. W. (2014). Oxygen
adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy
and density-functional theory calculations. Physical Review B, 90(15).
https://doi.org/10.1103/physrevb.90.155432'
bibtex: '@article{Oh_Wippermann_Schmidt_Yeom_2014, title={Oxygen adsorbates on the
Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional
theory calculations}, volume={90}, DOI={10.1103/physrevb.90.155432},
number={15}, journal={Physical Review B}, author={Oh, Deok Mahn and Wippermann,
S. and Schmidt, Wolf Gero and Yeom, Han Woong}, year={2014} }'
chicago: 'Oh, Deok Mahn, S. Wippermann, Wolf Gero Schmidt, and Han Woong Yeom. “Oxygen
Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy
and Density-Functional Theory Calculations.” Physical Review B 90, no.
15 (2014). https://doi.org/10.1103/physrevb.90.155432.'
ieee: 'D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates
on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional
theory calculations,” Physical Review B, vol. 90, no. 15, 2014, doi: 10.1103/physrevb.90.155432.'
mla: 'Oh, Deok Mahn, et al. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic
Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.”
Physical Review B, vol. 90, no. 15, 2014, doi:10.1103/physrevb.90.155432.'
short: D.M. Oh, S. Wippermann, W.G. Schmidt, H.W. Yeom, Physical Review B 90 (2014).
date_created: 2019-09-30T13:27:45Z
date_updated: 2025-12-05T10:34:49Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.90.155432
intvolume: ' 90'
issue: '15'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: 'Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling
microscopy and density-functional theory calculations'
type: journal_article
user_id: '16199'
volume: 90
year: '2014'
...
---
_id: '13511'
article_number: '253201'
author:
- first_name: M
full_name: Landmann, M
last_name: Landmann
- first_name: T
full_name: Köhler, T
last_name: Köhler
- first_name: E
full_name: Rauls, E
last_name: Rauls
- first_name: T
full_name: Frauenheim, T
last_name: Frauenheim
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Landmann M, Köhler T, Rauls E, Frauenheim T, Schmidt WG. The atomic structure
of ternary amorphous TixSi1−xO2hybrid oxides. Journal of Physics: Condensed
Matter. 2014;26. doi:10.1088/0953-8984/26/25/253201'
apa: 'Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., & Schmidt, W. G.
(2014). The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. Journal
of Physics: Condensed Matter, 26, Article 253201. https://doi.org/10.1088/0953-8984/26/25/253201'
bibtex: '@article{Landmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title={The atomic
structure of ternary amorphous TixSi1−xO2hybrid oxides}, volume={26}, DOI={10.1088/0953-8984/26/25/253201},
number={253201}, journal={Journal of Physics: Condensed Matter}, author={Landmann,
M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}, year={2014}
}'
chicago: 'Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The
Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of
Physics: Condensed Matter 26 (2014). https://doi.org/10.1088/0953-8984/26/25/253201.'
ieee: 'M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The
atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of
Physics: Condensed Matter, vol. 26, Art. no. 253201, 2014, doi: 10.1088/0953-8984/26/25/253201.'
mla: 'Landmann, M., et al. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid
Oxides.” Journal of Physics: Condensed Matter, vol. 26, 253201, 2014, doi:10.1088/0953-8984/26/25/253201.'
short: 'M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. Schmidt, Journal of
Physics: Condensed Matter 26 (2014).'
date_created: 2019-09-30T13:31:47Z
date_updated: 2025-12-05T10:34:00Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1088/0953-8984/26/25/253201
intvolume: ' 26'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
issn:
- 0953-8984
- 1361-648X
publication_status: published
status: public
title: The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides
type: journal_article
user_id: '16199'
volume: 26
year: '2014'
...
---
_id: '13513'
author:
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: N. J.
full_name: Vollmers, N. J.
last_name: Vollmers
- first_name: A.
full_name: Lücke, A.
last_name: Lücke
- first_name: M.
full_name: Babilon, M.
last_name: Babilon
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Gerstmann U, Vollmers NJ, Lücke A, Babilon M, Schmidt WG. Rashba splitting
and relativistic energy shifts in In/Si(111) nanowires. Physical Review B.
2014;89(16). doi:10.1103/physrevb.89.165431
apa: Gerstmann, U., Vollmers, N. J., Lücke, A., Babilon, M., & Schmidt, W. G.
(2014). Rashba splitting and relativistic energy shifts in In/Si(111) nanowires.
Physical Review B, 89(16). https://doi.org/10.1103/physrevb.89.165431
bibtex: '@article{Gerstmann_Vollmers_Lücke_Babilon_Schmidt_2014, title={Rashba splitting
and relativistic energy shifts in In/Si(111) nanowires}, volume={89}, DOI={10.1103/physrevb.89.165431},
number={16}, journal={Physical Review B}, author={Gerstmann, Uwe and Vollmers,
N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero}, year={2014} }'
chicago: Gerstmann, Uwe, N. J. Vollmers, A. Lücke, M. Babilon, and Wolf Gero Schmidt.
“Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” Physical
Review B 89, no. 16 (2014). https://doi.org/10.1103/physrevb.89.165431.
ieee: 'U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba
splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical
Review B, vol. 89, no. 16, 2014, doi: 10.1103/physrevb.89.165431.'
mla: Gerstmann, Uwe, et al. “Rashba Splitting and Relativistic Energy Shifts in
In/Si(111) Nanowires.” Physical Review B, vol. 89, no. 16, 2014, doi:10.1103/physrevb.89.165431.
short: U. Gerstmann, N.J. Vollmers, A. Lücke, M. Babilon, W.G. Schmidt, Physical
Review B 89 (2014).
date_created: 2019-09-30T13:36:43Z
date_updated: 2025-12-05T10:33:07Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.89.165431
intvolume: ' 89'
issue: '16'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Rashba splitting and relativistic energy shifts in In/Si(111) nanowires
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '13516'
author:
- 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: S.
full_name: Rode, S.
last_name: Rode
- first_name: S.
full_name: Klassen, S.
last_name: Klassen
- first_name: A.
full_name: Kühnle, A.
last_name: Kühnle
citation:
ama: Sanna S, Schmidt WG, Rode S, Klassen S, Kühnle A. Unraveling theLiNbO3X-cut
surface by atomic force microscopy and density functional theory. Physical
Review B. 2014;89(7). doi:10.1103/physrevb.89.075403
apa: Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., & Kühnle, A. (2014).
Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional
theory. Physical Review B, 89(7). https://doi.org/10.1103/physrevb.89.075403
bibtex: '@article{Sanna_Schmidt_Rode_Klassen_Kühnle_2014, title={Unraveling theLiNbO3X-cut
surface by atomic force microscopy and density functional theory}, volume={89},
DOI={10.1103/physrevb.89.075403},
number={7}, journal={Physical Review B}, author={Sanna, S. and Schmidt, Wolf Gero
and Rode, S. and Klassen, S. and Kühnle, A.}, year={2014} }'
chicago: Sanna, S., Wolf Gero Schmidt, S. Rode, S. Klassen, and A. Kühnle. “Unraveling
TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.”
Physical Review B 89, no. 7 (2014). https://doi.org/10.1103/physrevb.89.075403.
ieee: 'S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling
theLiNbO3X-cut surface by atomic force microscopy and density functional theory,”
Physical Review B, vol. 89, no. 7, 2014, doi: 10.1103/physrevb.89.075403.'
mla: Sanna, S., et al. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy
and Density Functional Theory.” Physical Review B, vol. 89, no. 7, 2014,
doi:10.1103/physrevb.89.075403.
short: S. Sanna, W.G. Schmidt, S. Rode, S. Klassen, A. Kühnle, Physical Review B
89 (2014).
date_created: 2019-09-30T13:42:07Z
date_updated: 2025-12-05T10:31:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.89.075403
intvolume: ' 89'
issue: '7'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional
theory
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '13514'
author:
- first_name: Yanlu
full_name: Li, Yanlu
last_name: Li
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
citation:
ama: Li Y, Schmidt WG, Sanna S. IntrinsicLiNbO3point defects from hybrid density
functional calculations. Physical Review B. 2014;89(9). doi:10.1103/physrevb.89.094111
apa: Li, Y., Schmidt, W. G., & Sanna, S. (2014). IntrinsicLiNbO3point defects
from hybrid density functional calculations. Physical Review B, 89(9).
https://doi.org/10.1103/physrevb.89.094111
bibtex: '@article{Li_Schmidt_Sanna_2014, title={IntrinsicLiNbO3point defects from
hybrid density functional calculations}, volume={89}, DOI={10.1103/physrevb.89.094111},
number={9}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero
and Sanna, S.}, year={2014} }'
chicago: Li, Yanlu, Wolf Gero Schmidt, and S. Sanna. “IntrinsicLiNbO3point Defects
from Hybrid Density Functional Calculations.” Physical Review B 89, no.
9 (2014). https://doi.org/10.1103/physrevb.89.094111.
ieee: 'Y. Li, W. G. Schmidt, and S. Sanna, “IntrinsicLiNbO3point defects from hybrid
density functional calculations,” Physical Review B, vol. 89, no. 9, 2014,
doi: 10.1103/physrevb.89.094111.'
mla: Li, Yanlu, et al. “IntrinsicLiNbO3point Defects from Hybrid Density Functional
Calculations.” Physical Review B, vol. 89, no. 9, 2014, doi:10.1103/physrevb.89.094111.
short: Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014).
date_created: 2019-09-30T13:38:01Z
date_updated: 2025-12-05T10:32:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
doi: 10.1103/physrevb.89.094111
intvolume: ' 89'
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: '69'
name: TRR 142 - Subproject B4
- _id: '53'
name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
zu funktionellen Strukturen'
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: IntrinsicLiNbO3point defects from hybrid density functional calculations
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '13512'
author:
- 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: Peter
full_name: Thissen, Peter
last_name: Thissen
citation:
ama: 'Sanna S, Schmidt WG, Thissen P. Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate
(C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). The Journal of
Physical Chemistry C. 2014;118:8007-8013. doi:10.1021/jp500170t'
apa: 'Sanna, S., Schmidt, W. G., & Thissen, P. (2014). Formation of Hydroxyl
Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on
Wollastonite(001). The Journal of Physical Chemistry C, 118, 8007–8013.
https://doi.org/10.1021/jp500170t'
bibtex: '@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups
at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)},
volume={118}, DOI={10.1021/jp500170t},
journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt,
Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }'
chicago: 'Sanna, Simone, Wolf Gero Schmidt, and Peter Thissen. “Formation of Hydroxyl
Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on
Wollastonite(001).” The Journal of Physical Chemistry C 118 (2014): 8007–13.
https://doi.org/10.1021/jp500170t.'
ieee: 'S. Sanna, W. G. Schmidt, and P. Thissen, “Formation of Hydroxyl Groups at
Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001),”
The Journal of Physical Chemistry C, vol. 118, pp. 8007–8013, 2014, doi:
10.1021/jp500170t.'
mla: 'Sanna, Simone, et al. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate
(C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” The Journal
of Physical Chemistry C, vol. 118, 2014, pp. 8007–13, doi:10.1021/jp500170t.'
short: S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118
(2014) 8007–8013.
date_created: 2019-09-30T13:35:25Z
date_updated: 2025-12-05T10:33:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '35'
- _id: '230'
doi: 10.1021/jp500170t
intvolume: ' 118'
language:
- iso: eng
page: 8007-8013
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence
of Ca–OH and Si–OH on Wollastonite(001)'
type: journal_article
user_id: '16199'
volume: 118
year: '2014'
...
---
_id: '13515'
author:
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: R.
full_name: Hölscher, R.
last_name: Hölscher
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Sanna S, Hölscher R, Schmidt WG. Temperature dependent LiNbO3(0001): Surface
reconstruction and surface charge. Applied Surface Science. Published online
2014:70-78. doi:10.1016/j.apsusc.2014.01.104'
apa: 'Sanna, S., Hölscher, R., & Schmidt, W. G. (2014). Temperature dependent
LiNbO3(0001): Surface reconstruction and surface charge. Applied Surface Science,
70–78. https://doi.org/10.1016/j.apsusc.2014.01.104'
bibtex: '@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001):
Surface reconstruction and surface charge}, DOI={10.1016/j.apsusc.2014.01.104},
journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt,
Wolf Gero}, year={2014}, pages={70–78} }'
chicago: 'Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent
LiNbO3(0001): Surface Reconstruction and Surface Charge.” Applied Surface Science,
2014, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104.'
ieee: 'S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001):
Surface reconstruction and surface charge,” Applied Surface Science, pp.
70–78, 2014, doi: 10.1016/j.apsusc.2014.01.104.'
mla: 'Sanna, S., et al. “Temperature Dependent LiNbO3(0001): Surface Reconstruction
and Surface Charge.” Applied Surface Science, 2014, pp. 70–78, doi:10.1016/j.apsusc.2014.01.104.'
short: S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
date_created: 2019-09-30T13:40:10Z
date_updated: 2025-12-05T10:31:53Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1016/j.apsusc.2014.01.104
language:
- iso: eng
page: 70-78
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: Applied Surface Science
publication_identifier:
issn:
- 0169-4332
publication_status: published
status: public
title: 'Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge'
type: journal_article
user_id: '16199'
year: '2014'
...
---
_id: '13508'
author:
- first_name: Q.
full_name: Guo, Q.
last_name: Guo
- first_name: A.
full_name: Paulheim, A.
last_name: Paulheim
- first_name: M.
full_name: Sokolowski, M.
last_name: Sokolowski
- first_name: Hazem
full_name: Aldahhak, Hazem
last_name: Aldahhak
- 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: Guo Q, Paulheim A, Sokolowski M, Aldahhak H, Rauls E, Schmidt WG. Adsorption
of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal
of Physical Chemistry C. 2014;118:29911-29918. doi:10.1021/jp509663s
apa: Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., & Schmidt,
W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100)
Surface. The Journal of Physical Chemistry C, 118, 29911–29918.
https://doi.org/10.1021/jp509663s
bibtex: '@article{Guo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title={Adsorption
of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}, volume={118},
DOI={10.1021/jp509663s}, journal={The
Journal of Physical Chemistry C}, author={Guo, Q. and Paulheim, A. and Sokolowski,
M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2014}, pages={29911–29918}
}'
chicago: 'Guo, Q., A. Paulheim, M. Sokolowski, Hazem Aldahhak, E. Rauls, and Wolf
Gero Schmidt. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100)
Surface.” The Journal of Physical Chemistry C 118 (2014): 29911–18. https://doi.org/10.1021/jp509663s.'
ieee: 'Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt,
“Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,”
The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014, doi:
10.1021/jp509663s.'
mla: Guo, Q., et al. “Adsorption of PTCDA on Terraces and at Steps Sites of the
KCl(100) Surface.” The Journal of Physical Chemistry C, vol. 118, 2014,
pp. 29911–18, doi:10.1021/jp509663s.
short: Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt,
The Journal of Physical Chemistry C 118 (2014) 29911–29918.
date_created: 2019-09-30T13:26:17Z
date_updated: 2025-12-05T10:35:20Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp509663s
intvolume: ' 118'
language:
- iso: eng
page: 29911-29918
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: Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface
type: journal_article
user_id: '16199'
volume: 118
year: '2014'
...
---
_id: '15864'
abstract:
- lang: eng
text: Starting from the extended Su-Schrieffer-Heeger model, multiband semiconductor
Bloch equations are formulated in momentum space and applied to the analysis of
the linear optical response of semiconducting carbon nanotubes (SCNTs). This formalism
includes the coupling of electron-hole pair excitations between different valence
and conduction bands, originating from the electron-hole Coulomb attraction. The
influence of these couplings, which are referred to as nondiagonal interband Coulomb
interaction (NDI-CI), on the linear excitonic absorption spectra is investigated
and discussed for light fields polarized parallel to the tube direction. The results
show that the intervalley NDI-CI leads to a significant increase of the band gap
and a decrease of the exciton binding energy that results in a blueshift of the
lowest-frequency excitonic absorption peak. The strength of these effects depends
on the symmetry of the SCNT. Furthermore, for zigzag SCNTs with higher symmetry
other nonintervalley NDI-CI terms also affect the spectral positions of excitonic
absorption peaks.
article_number: '155407'
author:
- first_name: Hong
full_name: Liu, Hong
last_name: Liu
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
citation:
ama: Liu H, Schumacher S, Meier T. Influence of Coulomb-induced band couplings on
linear excitonic absorption spectra of semiconducting carbon nanotubes. Physical
Review B. 2014;89(15). doi:10.1103/physrevb.89.155407
apa: Liu, H., Schumacher, S., & Meier, T. (2014). Influence of Coulomb-induced
band couplings on linear excitonic absorption spectra of semiconducting carbon
nanotubes. Physical Review B, 89(15), Article 155407. https://doi.org/10.1103/physrevb.89.155407
bibtex: '@article{Liu_Schumacher_Meier_2014, title={Influence of Coulomb-induced
band couplings on linear excitonic absorption spectra of semiconducting carbon
nanotubes}, volume={89}, DOI={10.1103/physrevb.89.155407},
number={15155407}, journal={Physical Review B}, author={Liu, Hong and Schumacher,
Stefan and Meier, Torsten}, year={2014} }'
chicago: Liu, Hong, Stefan Schumacher, and Torsten Meier. “Influence of Coulomb-Induced
Band Couplings on Linear Excitonic Absorption Spectra of Semiconducting Carbon
Nanotubes.” Physical Review B 89, no. 15 (2014). https://doi.org/10.1103/physrevb.89.155407.
ieee: 'H. Liu, S. Schumacher, and T. Meier, “Influence of Coulomb-induced band couplings
on linear excitonic absorption spectra of semiconducting carbon nanotubes,” Physical
Review B, vol. 89, no. 15, Art. no. 155407, 2014, doi: 10.1103/physrevb.89.155407.'
mla: Liu, Hong, et al. “Influence of Coulomb-Induced Band Couplings on Linear Excitonic
Absorption Spectra of Semiconducting Carbon Nanotubes.” Physical Review B,
vol. 89, no. 15, 155407, 2014, doi:10.1103/physrevb.89.155407.
short: H. Liu, S. Schumacher, T. Meier, Physical Review B 89 (2014).
date_created: 2020-02-10T11:55:39Z
date_updated: 2025-12-05T14:51:59Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '297'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevb.89.155407
intvolume: ' 89'
issue: '15'
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: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Influence of Coulomb-induced band couplings on linear excitonic absorption
spectra of semiconducting carbon nanotubes
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '15865'
author:
- first_name: P.
full_name: Lewandowski, P.
last_name: Lewandowski
- first_name: V.
full_name: Ardizzone, V.
last_name: Ardizzone
- first_name: Y. C.
full_name: Tse, Y. C.
last_name: Tse
- first_name: N. H.
full_name: Kwong, N. H.
last_name: Kwong
- first_name: M. H.
full_name: Luk, M. H.
last_name: Luk
- first_name: A.
full_name: Lücke, A.
last_name: Lücke
- first_name: M.
full_name: Abbarchi, M.
last_name: Abbarchi
- first_name: J.
full_name: Bloch, J.
last_name: Bloch
- first_name: E.
full_name: Baudin, E.
last_name: Baudin
- first_name: E.
full_name: Galopin, E.
last_name: Galopin
- first_name: A.
full_name: Lemaître, A.
last_name: Lemaître
- first_name: P. T.
full_name: Leung, P. T.
last_name: Leung
- first_name: Ph.
full_name: Roussignol, Ph.
last_name: Roussignol
- first_name: R.
full_name: Binder, R.
last_name: Binder
- first_name: J.
full_name: Tignon, J.
last_name: Tignon
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: 'Lewandowski P, Ardizzone V, Tse YC, et al. Formation and control of transverse
patterns in a quantum fluid of microcavity polaritons. In: Betz M, Elezzabi AY,
Song J-J, Tsen K-T, eds. Ultrafast Phenomena and Nanophotonics XVIII. ;
2014. doi:10.1117/12.2037174'
apa: Lewandowski, P., Ardizzone, V., Tse, Y. C., Kwong, N. H., Luk, M. H., Lücke,
A., Abbarchi, M., Bloch, J., Baudin, E., Galopin, E., Lemaître, A., Leung, P.
T., Roussignol, Ph., Binder, R., Tignon, J., & Schumacher, S. (2014). Formation
and control of transverse patterns in a quantum fluid of microcavity polaritons.
In M. Betz, A. Y. Elezzabi, J.-J. Song, & K.-T. Tsen (Eds.), Ultrafast
Phenomena and Nanophotonics XVIII. https://doi.org/10.1117/12.2037174
bibtex: '@inproceedings{Lewandowski_Ardizzone_Tse_Kwong_Luk_Lücke_Abbarchi_Bloch_Baudin_Galopin_et
al._2014, title={Formation and control of transverse patterns in a quantum fluid
of microcavity polaritons}, DOI={10.1117/12.2037174},
booktitle={Ultrafast Phenomena and Nanophotonics XVIII}, author={Lewandowski,
P. and Ardizzone, V. and Tse, Y. C. and Kwong, N. H. and Luk, M. H. and Lücke,
A. and Abbarchi, M. and Bloch, J. and Baudin, E. and Galopin, E. and et al.},
editor={Betz, Markus and Elezzabi, Abdulhakem Y. and Song, Jin-Joo and Tsen, Kong-Thon},
year={2014} }'
chicago: Lewandowski, P., V. Ardizzone, Y. C. Tse, N. H. Kwong, M. H. Luk, A. Lücke,
M. Abbarchi, et al. “Formation and Control of Transverse Patterns in a Quantum
Fluid of Microcavity Polaritons.” In Ultrafast Phenomena and Nanophotonics
XVIII, edited by Markus Betz, Abdulhakem Y. Elezzabi, Jin-Joo Song, and Kong-Thon
Tsen, 2014. https://doi.org/10.1117/12.2037174.
ieee: 'P. Lewandowski et al., “Formation and control of transverse patterns
in a quantum fluid of microcavity polaritons,” in Ultrafast Phenomena and Nanophotonics
XVIII, 2014, doi: 10.1117/12.2037174.'
mla: Lewandowski, P., et al. “Formation and Control of Transverse Patterns in a
Quantum Fluid of Microcavity Polaritons.” Ultrafast Phenomena and Nanophotonics
XVIII, edited by Markus Betz et al., 2014, doi:10.1117/12.2037174.
short: 'P. Lewandowski, V. Ardizzone, Y.C. Tse, N.H. Kwong, M.H. Luk, A. Lücke,
M. Abbarchi, J. Bloch, E. Baudin, E. Galopin, A. Lemaître, P.T. Leung, Ph. Roussignol,
R. Binder, J. Tignon, S. Schumacher, in: M. Betz, A.Y. Elezzabi, J.-J. Song, K.-T.
Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XVIII, 2014.'
date_created: 2020-02-10T11:56:39Z
date_updated: 2025-12-05T14:50:58Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1117/12.2037174
editor:
- first_name: Markus
full_name: Betz, Markus
last_name: Betz
- first_name: Abdulhakem Y.
full_name: Elezzabi, Abdulhakem Y.
last_name: Elezzabi
- first_name: Jin-Joo
full_name: Song, Jin-Joo
last_name: Song
- first_name: Kong-Thon
full_name: Tsen, Kong-Thon
last_name: Tsen
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Ultrafast Phenomena and Nanophotonics XVIII
publication_status: published
status: public
title: Formation and control of transverse patterns in a quantum fluid of microcavity
polaritons
type: conference
user_id: '16199'
year: '2014'
...
---
_id: '7485'
author:
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Christina A.
full_name: Bader, Christina A.
last_name: Bader
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Wiebeler C, Bader CA, Meier C, Schumacher S. Optical spectrum, perceived color,
refractive index, and non-adiabatic dynamics of the photochromic diarylethene
CMTE. Phys Chem Chem Phys. 2014;16(28):14531-14538. doi:10.1039/c3cp55490b
apa: Wiebeler, C., Bader, C. A., Meier, C., & Schumacher, S. (2014). Optical
spectrum, perceived color, refractive index, and non-adiabatic dynamics of the
photochromic diarylethene CMTE. Phys. Chem. Chem. Phys., 16(28),
14531–14538. https://doi.org/10.1039/c3cp55490b
bibtex: '@article{Wiebeler_Bader_Meier_Schumacher_2014, title={Optical spectrum,
perceived color, refractive index, and non-adiabatic dynamics of the photochromic
diarylethene CMTE}, volume={16}, DOI={10.1039/c3cp55490b},
number={28}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry
(RSC)}, author={Wiebeler, Christian and Bader, Christina A. and Meier, Cedrik
and Schumacher, Stefan}, year={2014}, pages={14531–14538} }'
chicago: 'Wiebeler, Christian, Christina A. Bader, Cedrik Meier, and Stefan Schumacher.
“Optical Spectrum, Perceived Color, Refractive Index, and Non-Adiabatic Dynamics
of the Photochromic Diarylethene CMTE.” Phys. Chem. Chem. Phys. 16, no.
28 (2014): 14531–38. https://doi.org/10.1039/c3cp55490b.'
ieee: 'C. Wiebeler, C. A. Bader, C. Meier, and S. Schumacher, “Optical spectrum,
perceived color, refractive index, and non-adiabatic dynamics of the photochromic
diarylethene CMTE,” Phys. Chem. Chem. Phys., vol. 16, no. 28, pp. 14531–14538,
2014, doi: 10.1039/c3cp55490b.'
mla: Wiebeler, Christian, et al. “Optical Spectrum, Perceived Color, Refractive
Index, and Non-Adiabatic Dynamics of the Photochromic Diarylethene CMTE.” Phys.
Chem. Chem. Phys., vol. 16, no. 28, Royal Society of Chemistry (RSC), 2014,
pp. 14531–38, doi:10.1039/c3cp55490b.
short: C. Wiebeler, C.A. Bader, C. Meier, S. Schumacher, Phys. Chem. Chem. Phys.
16 (2014) 14531–14538.
date_created: 2019-02-04T14:09:21Z
date_updated: 2025-12-05T14:49:36Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '287'
- _id: '170'
- _id: '297'
doi: 10.1039/c3cp55490b
intvolume: ' 16'
issue: '28'
language:
- iso: eng
page: 14531-14538
publication: Phys. Chem. Chem. Phys.
publication_identifier:
issn:
- 1463-9076
- 1463-9084
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics
of the photochromic diarylethene CMTE
type: journal_article
user_id: '16199'
volume: 16
year: '2014'
...
---
_id: '15863'
author:
- first_name: Joachim
full_name: Vollbrecht, Joachim
last_name: Vollbrecht
- first_name: Harald
full_name: Bock, Harald
last_name: Bock
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
citation:
ama: 'Vollbrecht J, Bock H, Wiebeler C, Schumacher S, Kitzerow H-S. Polycyclic Aromatic
Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption
and Optoelectronic Properties. Chemistry - A European Journal. Published
online 2014:12026-12031. doi:10.1002/chem.201403287'
apa: 'Vollbrecht, J., Bock, H., Wiebeler, C., Schumacher, S., & Kitzerow, H.-S.
(2014). Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of
Mesogenic Perylenes: Absorption and Optoelectronic Properties. Chemistry -
A European Journal, 12026–12031. https://doi.org/10.1002/chem.201403287'
bibtex: '@article{Vollbrecht_Bock_Wiebeler_Schumacher_Kitzerow_2014, title={Polycyclic
Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes:
Absorption and Optoelectronic Properties}, DOI={10.1002/chem.201403287},
journal={Chemistry - A European Journal}, author={Vollbrecht, Joachim and Bock,
Harald and Wiebeler, Christian and Schumacher, Stefan and Kitzerow, Heinz-Siegfried},
year={2014}, pages={12026–12031} }'
chicago: 'Vollbrecht, Joachim, Harald Bock, Christian Wiebeler, Stefan Schumacher,
and Heinz-Siegfried Kitzerow. “Polycyclic Aromatic Hydrocarbons Obtained by Lateral
Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties.”
Chemistry - A European Journal, 2014, 12026–31. https://doi.org/10.1002/chem.201403287.'
ieee: 'J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, and H.-S. Kitzerow, “Polycyclic
Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes:
Absorption and Optoelectronic Properties,” Chemistry - A European Journal,
pp. 12026–12031, 2014, doi: 10.1002/chem.201403287.'
mla: 'Vollbrecht, Joachim, et al. “Polycyclic Aromatic Hydrocarbons Obtained by
Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties.”
Chemistry - A European Journal, 2014, pp. 12026–31, doi:10.1002/chem.201403287.'
short: J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, H.-S. Kitzerow, Chemistry
- A European Journal (2014) 12026–12031.
date_created: 2020-02-10T11:54:49Z
date_updated: 2025-12-05T14:51:34Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '313'
- _id: '230'
- _id: '2'
- _id: '35'
- _id: '27'
doi: 10.1002/chem.201403287
language:
- iso: eng
page: 12026-12031
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Chemistry - A European Journal
publication_identifier:
issn:
- 0947-6539
publication_status: published
status: public
title: 'Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic
Perylenes: Absorption and Optoelectronic Properties'
type: journal_article
user_id: '16199'
year: '2014'
...
---
_id: '15861'
author:
- first_name: Hans
full_name: Riesen, Hans
last_name: Riesen
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: 'Riesen H, Wiebeler C, Schumacher S. Optical Spectroscopy of Graphene Quantum
Dots: The Case of C132. The Journal of Physical Chemistry A. Published
online 2014:5189-5195. doi:10.1021/jp502753a'
apa: 'Riesen, H., Wiebeler, C., & Schumacher, S. (2014). Optical Spectroscopy
of Graphene Quantum Dots: The Case of C132. The Journal of Physical Chemistry
A, 5189–5195. https://doi.org/10.1021/jp502753a'
bibtex: '@article{Riesen_Wiebeler_Schumacher_2014, title={Optical Spectroscopy of
Graphene Quantum Dots: The Case of C132}, DOI={10.1021/jp502753a},
journal={The Journal of Physical Chemistry A}, author={Riesen, Hans and Wiebeler,
Christian and Schumacher, Stefan}, year={2014}, pages={5189–5195} }'
chicago: 'Riesen, Hans, Christian Wiebeler, and Stefan Schumacher. “Optical Spectroscopy
of Graphene Quantum Dots: The Case of C132.” The Journal of Physical Chemistry
A, 2014, 5189–95. https://doi.org/10.1021/jp502753a.'
ieee: 'H. Riesen, C. Wiebeler, and S. Schumacher, “Optical Spectroscopy of Graphene
Quantum Dots: The Case of C132,” The Journal of Physical Chemistry A, pp.
5189–5195, 2014, doi: 10.1021/jp502753a.'
mla: 'Riesen, Hans, et al. “Optical Spectroscopy of Graphene Quantum Dots: The Case
of C132.” The Journal of Physical Chemistry A, 2014, pp. 5189–95, doi:10.1021/jp502753a.'
short: H. Riesen, C. Wiebeler, S. Schumacher, The Journal of Physical Chemistry
A (2014) 5189–5195.
date_created: 2020-02-10T11:53:23Z
date_updated: 2025-12-05T14:50:18Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '27'
- _id: '230'
doi: 10.1021/jp502753a
language:
- iso: eng
page: 5189-5195
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry A
publication_identifier:
issn:
- 1089-5639
- 1520-5215
publication_status: published
status: public
title: 'Optical Spectroscopy of Graphene Quantum Dots: The Case of C132'
type: journal_article
user_id: '16199'
year: '2014'
...
---
_id: '15862'
author:
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: 'Wiebeler C, Schumacher S. Quantum Yields and Reaction Times of Photochromic
Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type.
The Journal of Physical Chemistry A. Published online 2014:7816-7823. doi:10.1021/jp506316w'
apa: 'Wiebeler, C., & Schumacher, S. (2014). Quantum Yields and Reaction Times
of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal-
and Inverse-Type. The Journal of Physical Chemistry A, 7816–7823. https://doi.org/10.1021/jp506316w'
bibtex: '@article{Wiebeler_Schumacher_2014, title={Quantum Yields and Reaction Times
of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal-
and Inverse-Type}, DOI={10.1021/jp506316w},
journal={The Journal of Physical Chemistry A}, author={Wiebeler, Christian and
Schumacher, Stefan}, year={2014}, pages={7816–7823} }'
chicago: 'Wiebeler, Christian, and Stefan Schumacher. “Quantum Yields and Reaction
Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics
for Normal- and Inverse-Type.” The Journal of Physical Chemistry A, 2014,
7816–23. https://doi.org/10.1021/jp506316w.'
ieee: 'C. Wiebeler and S. Schumacher, “Quantum Yields and Reaction Times of Photochromic
Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type,”
The Journal of Physical Chemistry A, pp. 7816–7823, 2014, doi: 10.1021/jp506316w.'
mla: 'Wiebeler, Christian, and Stefan Schumacher. “Quantum Yields and Reaction Times
of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal-
and Inverse-Type.” The Journal of Physical Chemistry A, 2014, pp. 7816–23,
doi:10.1021/jp506316w.'
short: C. Wiebeler, S. Schumacher, The Journal of Physical Chemistry A (2014) 7816–7823.
date_created: 2020-02-10T11:54:03Z
date_updated: 2025-12-16T08:03:40Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp506316w
language:
- iso: eng
page: 7816-7823
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry A
publication_identifier:
issn:
- 1089-5639
- 1520-5215
publication_status: published
status: public
title: 'Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic
Ab Initio Molecular Dynamics for Normal- and Inverse-Type'
type: journal_article
user_id: '16199'
year: '2014'
...
---
_id: '18471'
abstract:
- lang: eng
text: Collective spin excitations form a fundamental class of excitations in magnetic
materials. As their energy reaches down to only a few meV, they are present at
all temperatures and substantially influence the properties of magnetic systems.
To study the spin excitations in solids from first principles, we have developed
a computational scheme based on many-body perturbation theory within the full-potential
linearized augmented plane-wave (FLAPW) method. The main quantity of interest
is the dynamical transverse spin susceptibility or magnetic response function,
from which magnetic excitations, including single-particle spin-flip Stoner excitations
and collective spin-wave modes as well as their lifetimes, can be obtained. In
order to describe spin waves we include appropriate vertex corrections in the
form of a multiple-scattering T matrix, which describes the coupling of electrons
and holes with different spins. The electron–hole interaction incorporates the
screening of the many-body system within the random-phase approximation. To reduce
the numerical cost in evaluating the four-point T matrix, we exploit a transformation
to maximally localized Wannier functions that takes advantage of the short spatial
range of electronic correlation in the partially filled d or f orbitals of magnetic
materials. The theory and the implementation are discussed in detail. In particular,
we show how the magnetic response function can be evaluated for arbitrary k points.
This enables the calculation of smooth dispersion curves, allowing one to study
fine details in the k dependence of the spin-wave spectra. We also demonstrate
how spatial and time-reversal symmetry can be exploited to accelerate substantially
the computation of the four-point quantities. As an illustration, we present spin-wave
spectra and dispersions for the elementary ferromagnet bcc Fe, B2-type tetragonal
FeCo, and CrO2 calculated with our scheme. The results are in good agreement with
available experimental data.
author:
- first_name: Christoph
full_name: Friedrich, Christoph
last_name: Friedrich
- first_name: Ersoy
full_name: Şaşıoğlu, Ersoy
last_name: Şaşıoğlu
- first_name: Mathias
full_name: Müller, Mathias
last_name: Müller
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Stefan
full_name: Blügel, Stefan
last_name: Blügel
citation:
ama: 'Friedrich C, Şaşıoğlu E, Müller M, Schindlmayr A, Blügel S. Spin excitations
in solids from many-body perturbation theory. In: Di Valentin C, Botti S, Cococcioni
M, eds. First Principles Approaches to Spectroscopic Properties of Complex
Materials. Vol 347. Topics in Current Chemistry. Springer; 2014:259-301.
doi:10.1007/128_2013_518'
apa: Friedrich, C., Şaşıoğlu, E., Müller, M., Schindlmayr, A., & Blügel, S.
(2014). Spin excitations in solids from many-body perturbation theory. In C. Di
Valentin, S. Botti, & M. Cococcioni (Eds.), First Principles Approaches
to Spectroscopic Properties of Complex Materials (Vol. 347, pp. 259–301).
Springer. https://doi.org/10.1007/128_2013_518
bibtex: '@inbook{Friedrich_Şaşıoğlu_Müller_Schindlmayr_Blügel_2014, place={Berlin,
Heidelberg}, series={ Topics in Current Chemistry}, title={Spin excitations in
solids from many-body perturbation theory}, volume={347}, DOI={10.1007/128_2013_518},
booktitle={First Principles Approaches to Spectroscopic Properties of Complex
Materials}, publisher={Springer}, author={Friedrich, Christoph and Şaşıoğlu, Ersoy
and Müller, Mathias and Schindlmayr, Arno and Blügel, Stefan}, editor={Di Valentin,
Cristiana and Botti, Silvana and Cococcioni, Matteo}, year={2014}, pages={259–301},
collection={ Topics in Current Chemistry} }'
chicago: 'Friedrich, Christoph, Ersoy Şaşıoğlu, Mathias Müller, Arno Schindlmayr,
and Stefan Blügel. “Spin Excitations in Solids from Many-Body Perturbation Theory.”
In First Principles Approaches to Spectroscopic Properties of Complex Materials,
edited by Cristiana Di Valentin, Silvana Botti, and Matteo Cococcioni, 347:259–301. Topics
in Current Chemistry. Berlin, Heidelberg: Springer, 2014. https://doi.org/10.1007/128_2013_518.'
ieee: 'C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, and S. Blügel, “Spin
excitations in solids from many-body perturbation theory,” in First Principles
Approaches to Spectroscopic Properties of Complex Materials, vol. 347, C.
Di Valentin, S. Botti, and M. Cococcioni, Eds. Berlin, Heidelberg: Springer, 2014,
pp. 259–301.'
mla: Friedrich, Christoph, et al. “Spin Excitations in Solids from Many-Body Perturbation
Theory.” First Principles Approaches to Spectroscopic Properties of Complex
Materials, edited by Cristiana Di Valentin et al., vol. 347, Springer, 2014,
pp. 259–301, doi:10.1007/128_2013_518.
short: 'C. Friedrich, E. Şaşıoğlu, M. Müller, A. Schindlmayr, S. Blügel, in: C.
Di Valentin, S. Botti, M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic
Properties of Complex Materials, Springer, Berlin, Heidelberg, 2014, pp. 259–301.'
date_created: 2020-08-27T21:00:45Z
date_updated: 2025-12-16T08:06:12Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '230'
doi: 10.1007/128_2013_518
editor:
- first_name: Cristiana
full_name: Di Valentin, Cristiana
last_name: Di Valentin
- first_name: Silvana
full_name: Botti, Silvana
last_name: Botti
- first_name: Matteo
full_name: Cococcioni, Matteo
last_name: Cococcioni
external_id:
isi:
- '000356811000008'
pmid:
- '24577607'
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T15:19:57Z
date_updated: 2020-08-30T14:48:45Z
description: © 2014 Springer-Verlag, Berlin, Heidelberg
file_id: '18584'
file_name: Friedrich2014_Chapter_SpinExcitationsInSolidsFromMan.pdf
file_size: 1061365
relation: main_file
title: Spin excitations in solids from many-body perturbation theory
file_date_updated: 2020-08-30T14:48:45Z
has_accepted_license: '1'
intvolume: ' 347'
isi: '1'
language:
- iso: eng
page: 259-301
place: Berlin, Heidelberg
pmid: '1'
publication: First Principles Approaches to Spectroscopic Properties of Complex Materials
publication_identifier:
eisbn:
- 978-3-642-55068-3
eissn:
- 1436-5049
isbn:
- 978-3-642-55067-6
issn:
- 0340-1022
publication_status: published
publisher: Springer
quality_controlled: '1'
series_title: ' Topics in Current Chemistry'
status: public
title: Spin excitations in solids from many-body perturbation theory
type: book_chapter
user_id: '16199'
volume: 347
year: '2014'
...
---
_id: '18472'
abstract:
- lang: eng
text: Many-body perturbation theory is a well-established ab initio electronic-structure
method based on Green functions. Although computationally more demanding than
density functional theory, it has the distinct advantage that the exact expressions
for all relevant observables, including the ground-state total energy, in terms
of the Green function are known explicitly. The most important application, however,
lies in the calculation of excited states, whose energies correspond directly
to the poles of the Green function in the complex frequency plane. The accuracy
of results obtained within this framework is only limited by the choice of the
exchange-correlation self-energy, which must still be approximated in actual implementations.
In this respect, the GW approximation has proved highly successful for systems
governed by the Coulomb interaction. It yields band structures of solids, including
the band gaps of semiconductors, as well as atomic and molecular ionization energies
in very good quantitative agreement with experimental photoemission data.
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: 'Schindlmayr A. The GW approximation for the electronic self-energy. In: Bach
V, Delle Site L, eds. Many-Electron Approaches in Physics, Chemistry and Mathematics.
Vol 29. Mathematical Physics Studies. Springer; 2014:343-357. doi:10.1007/978-3-319-06379-9_19'
apa: Schindlmayr, A. (2014). The GW approximation for the electronic self-energy.
In V. Bach & L. Delle Site (Eds.), Many-Electron Approaches in Physics,
Chemistry and Mathematics (Vol. 29, pp. 343–357). Springer. https://doi.org/10.1007/978-3-319-06379-9_19
bibtex: '@inbook{Schindlmayr_2014, place={Cham}, series={ Mathematical Physics Studies},
title={The GW approximation for the electronic self-energy}, volume={29}, DOI={10.1007/978-3-319-06379-9_19},
booktitle={Many-Electron Approaches in Physics, Chemistry and Mathematics}, publisher={Springer},
author={Schindlmayr, Arno}, editor={Bach, Volker and Delle Site, Luigi}, year={2014},
pages={343–357}, collection={ Mathematical Physics Studies} }'
chicago: 'Schindlmayr, Arno. “The GW Approximation for the Electronic Self-Energy.”
In Many-Electron Approaches in Physics, Chemistry and Mathematics, edited
by Volker Bach and Luigi Delle Site, 29:343–57. Mathematical Physics Studies.
Cham: Springer, 2014. https://doi.org/10.1007/978-3-319-06379-9_19.'
ieee: 'A. Schindlmayr, “The GW approximation for the electronic self-energy,” in
Many-Electron Approaches in Physics, Chemistry and Mathematics, vol. 29,
V. Bach and L. Delle Site, Eds. Cham: Springer, 2014, pp. 343–357.'
mla: Schindlmayr, Arno. “The GW Approximation for the Electronic Self-Energy.” Many-Electron
Approaches in Physics, Chemistry and Mathematics, edited by Volker Bach and
Luigi Delle Site, vol. 29, Springer, 2014, pp. 343–57, doi:10.1007/978-3-319-06379-9_19.
short: 'A. Schindlmayr, in: V. Bach, L. Delle Site (Eds.), Many-Electron Approaches
in Physics, Chemistry and Mathematics, Springer, Cham, 2014, pp. 343–357.'
date_created: 2020-08-27T21:11:43Z
date_updated: 2025-12-16T08:05:25Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1007/978-3-319-06379-9_19
editor:
- first_name: Volker
full_name: Bach, Volker
last_name: Bach
- first_name: Luigi
full_name: Delle Site, Luigi
last_name: Delle Site
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T15:25:10Z
date_updated: 2020-08-30T14:50:18Z
description: © 2014 Springer International Publishing, Switzerland
file_id: '18585'
file_name: Schindlmayr2014_Chapter_TheGWApproximationForTheElectr.pdf
file_size: 309579
relation: main_file
title: The GW approximation for the electronic self-energy
file_date_updated: 2020-08-30T14:50:18Z
has_accepted_license: '1'
intvolume: ' 29'
language:
- iso: eng
page: 343-357
place: Cham
publication: Many-Electron Approaches in Physics, Chemistry and Mathematics
publication_identifier:
eisbn:
- 978-3-319-06379-9
eissn:
- 2352-3905
isbn:
- 978-3-319-06378-2
issn:
- 0921-3767
publication_status: published
publisher: Springer
quality_controlled: '1'
series_title: ' Mathematical Physics Studies'
status: public
title: The GW approximation for the electronic self-energy
type: book_chapter
user_id: '16199'
volume: 29
year: '2014'
...
---
_id: '18473'
abstract:
- lang: eng
text: We investigate the band dispersion and related electronic properties of picene
single crystals within the GW approximation for the electronic self-energy. The
width of the upper highest occupied molecular orbital (HOMOu) band along the Γ–Y
direction, corresponding to the b crystal axis in real space along which the molecules
are stacked, is determined to be 0.60 eV and thus 0.11 eV larger than the value
obtained from density-functional theory. As in our recent study of rubrene using
the same methodology [S. Yanagisawa, Y. Morikawa, and A. Schindlmayr, Phys. Rev.
B 88, 115438 (2013)], this increase in the bandwidth is due to the strong variation
of the GW self-energy correction across the Brillouin zone, which in turn reflects
the increasing hybridization of the HOMOu states of neighboring picene molecules
from Γ to Y. In contrast, the width of the lower HOMO (HOMOl) band along Γ–Y remains
almost unchanged, consistent with the fact that the HOMOl(Γ) and HOMOl(Y) states
exhibit the same degree of hybridization, so that the nodal structure of the wave
functions and the matrix elements of the self-energy correction are very similar.
article_number: 05FY02
article_type: original
author:
- first_name: Susumu
full_name: Yanagisawa, Susumu
last_name: Yanagisawa
- first_name: Yoshitada
full_name: Morikawa, Yoshitada
last_name: Morikawa
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: Yanagisawa S, Morikawa Y, Schindlmayr A. Theoretical investigation of the band
structure of picene single crystals within the GW approximation. Japanese Journal
of Applied Physics. 2014;53(5S1). doi:10.7567/jjap.53.05fy02
apa: Yanagisawa, S., Morikawa, Y., & Schindlmayr, A. (2014). Theoretical investigation
of the band structure of picene single crystals within the GW approximation. Japanese
Journal of Applied Physics, 53(5S1), Article 05FY02. https://doi.org/10.7567/jjap.53.05fy02
bibtex: '@article{Yanagisawa_Morikawa_Schindlmayr_2014, title={Theoretical investigation
of the band structure of picene single crystals within the GW approximation},
volume={53}, DOI={10.7567/jjap.53.05fy02},
number={5S105FY02}, journal={Japanese Journal of Applied Physics}, publisher={IOP
Publishing and The Japan Society of Applied Physics}, author={Yanagisawa, Susumu
and Morikawa, Yoshitada and Schindlmayr, Arno}, year={2014} }'
chicago: Yanagisawa, Susumu, Yoshitada Morikawa, and Arno Schindlmayr. “Theoretical
Investigation of the Band Structure of Picene Single Crystals within the GW Approximation.”
Japanese Journal of Applied Physics 53, no. 5S1 (2014). https://doi.org/10.7567/jjap.53.05fy02.
ieee: 'S. Yanagisawa, Y. Morikawa, and A. Schindlmayr, “Theoretical investigation
of the band structure of picene single crystals within the GW approximation,”
Japanese Journal of Applied Physics, vol. 53, no. 5S1, Art. no. 05FY02,
2014, doi: 10.7567/jjap.53.05fy02.'
mla: Yanagisawa, Susumu, et al. “Theoretical Investigation of the Band Structure
of Picene Single Crystals within the GW Approximation.” Japanese Journal of
Applied Physics, vol. 53, no. 5S1, 05FY02, IOP Publishing and The Japan Society
of Applied Physics, 2014, doi:10.7567/jjap.53.05fy02.
short: S. Yanagisawa, Y. Morikawa, A. Schindlmayr, Japanese Journal of Applied Physics
53 (2014).
date_created: 2020-08-27T21:21:24Z
date_updated: 2025-12-16T08:04:51Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.7567/jjap.53.05fy02
external_id:
isi:
- '000338316200158'
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T14:28:20Z
date_updated: 2020-08-30T14:52:27Z
description: © 2014 The Japan Society of Applied Physics
file_id: '18579'
file_name: Yanagisawa_2014_Jpn._J._Appl._Phys._53_05FY02.pdf
file_size: 588607
relation: main_file
title: Theoretical investigation of the band structure of picene single crystals
within the GW approximation
file_date_updated: 2020-08-30T14:52:27Z
has_accepted_license: '1'
intvolume: ' 53'
isi: '1'
issue: 5S1
language:
- iso: eng
publication: Japanese Journal of Applied Physics
publication_identifier:
eissn:
- 1347-4065
issn:
- 0021-4922
publication_status: published
publisher: IOP Publishing and The Japan Society of Applied Physics
quality_controlled: '1'
status: public
title: Theoretical investigation of the band structure of picene single crystals within
the GW approximation
type: journal_article
user_id: '16199'
volume: 53
year: '2014'
...
---
_id: '18474'
author:
- first_name: Christoph
full_name: Friedrich, Christoph
last_name: Friedrich
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: 'Friedrich C, Schindlmayr A. Many-body perturbation theory: The GW approximation.
In: Blügel S, Helbig N, Meden V, Wortmann D, eds. Computing Solids: Models,
Ab Initio Methods and Supercomputing. Vol 74. Key Technologies. Forschungszentrum
Jülich; 2014:A4.1-A4.21.'
apa: 'Friedrich, C., & Schindlmayr, A. (2014). Many-body perturbation theory:
The GW approximation. In S. Blügel, N. Helbig, V. Meden, & D. Wortmann (Eds.),
Computing Solids: Models, ab initio Methods and Supercomputing (Vol. 74,
p. A4.1-A4.21). Forschungszentrum Jülich.'
bibtex: '@inbook{Friedrich_Schindlmayr_2014, place={Jülich}, series={Key Technologies},
title={Many-body perturbation theory: The GW approximation}, volume={74}, booktitle={Computing
Solids: Models, ab initio Methods and Supercomputing}, publisher={Forschungszentrum
Jülich}, author={Friedrich, Christoph and Schindlmayr, Arno}, editor={Blügel,
Stefan and Helbig, Nicole and Meden, Volker and Wortmann, Daniel}, year={2014},
pages={A4.1-A4.21}, collection={Key Technologies} }'
chicago: 'Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory:
The GW Approximation.” In Computing Solids: Models, Ab Initio Methods and Supercomputing,
edited by Stefan Blügel, Nicole Helbig, Volker Meden, and Daniel Wortmann, 74:A4.1-A4.21.
Key Technologies. Jülich: Forschungszentrum Jülich, 2014.'
ieee: 'C. Friedrich and A. Schindlmayr, “Many-body perturbation theory: The GW approximation,”
in Computing Solids: Models, ab initio Methods and Supercomputing, vol.
74, S. Blügel, N. Helbig, V. Meden, and D. Wortmann, Eds. Jülich: Forschungszentrum
Jülich, 2014, p. A4.1-A4.21.'
mla: 'Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory:
The GW Approximation.” Computing Solids: Models, Ab Initio Methods and Supercomputing,
edited by Stefan Blügel et al., vol. 74, Forschungszentrum Jülich, 2014, p. A4.1-A4.21.'
short: 'C. Friedrich, A. Schindlmayr, in: S. Blügel, N. Helbig, V. Meden, D. Wortmann
(Eds.), Computing Solids: Models, Ab Initio Methods and Supercomputing, Forschungszentrum
Jülich, Jülich, 2014, p. A4.1-A4.21.'
conference:
end_date: 2014-03-21
location: Jülich
name: 45th Spring School of the Institute of Solid State Research
start_date: 2014-03-10
date_created: 2020-08-27T21:40:39Z
date_updated: 2025-12-16T08:07:31Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
editor:
- first_name: Stefan
full_name: Blügel, Stefan
last_name: Blügel
- first_name: Nicole
full_name: Helbig, Nicole
last_name: Helbig
- first_name: Volker
full_name: Meden, Volker
last_name: Meden
- first_name: Daniel
full_name: Wortmann, Daniel
last_name: Wortmann
file:
- access_level: request
content_type: application/pdf
creator: schindlm
date_created: 2020-10-05T10:57:49Z
date_updated: 2022-01-06T06:53:34Z
description: © 2014 Forschungszentrum Jülich
file_id: '19876'
file_name: A4-Friedrich.pdf
file_size: 718521
relation: main_file
title: 'Many-body perturbation theory: The GW approximation'
file_date_updated: 2022-01-06T06:53:34Z
has_accepted_license: '1'
intvolume: ' 74'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: http://hdl.handle.net/2128/8540
oa: '1'
page: A4.1-A4.21
place: Jülich
publication: 'Computing Solids: Models, ab initio Methods and Supercomputing'
publication_identifier:
isbn:
- 978-3-89336-912-6
issn:
- 1866-1807
publication_status: published
publisher: Forschungszentrum Jülich
series_title: Key Technologies
status: public
title: 'Many-body perturbation theory: The GW approximation'
type: book_chapter
user_id: '16199'
volume: 74
year: '2014'
...
---
_id: '40400'
article_number: '2403'
author:
- first_name: A. M.
full_name: Pérez, A. M.
last_name: Pérez
- first_name: T. Sh.
full_name: Iskhakov, T. Sh.
last_name: Iskhakov
- first_name: Polina
full_name: Sharapova, Polina
id: '60286'
last_name: Sharapova
- first_name: S.
full_name: Lemieux, S.
last_name: Lemieux
- first_name: O. V.
full_name: Tikhonova, O. V.
last_name: Tikhonova
- first_name: M. V.
full_name: Chekhova, M. V.
last_name: Chekhova
- first_name: G.
full_name: Leuchs, G.
last_name: Leuchs
citation:
ama: Pérez AM, Iskhakov TSh, Sharapova P, et al. Bright squeezed-vacuum source with
11 spatial mode. Optics Letters. 2014;39(8). doi:10.1364/ol.39.002403
apa: Pérez, A. M., Iskhakov, T. Sh., Sharapova, P., Lemieux, S., Tikhonova, O. V.,
Chekhova, M. V., & Leuchs, G. (2014). Bright squeezed-vacuum source with 11
spatial mode. Optics Letters, 39(8), Article 2403. https://doi.org/10.1364/ol.39.002403
bibtex: '@article{Pérez_Iskhakov_Sharapova_Lemieux_Tikhonova_Chekhova_Leuchs_2014,
title={Bright squeezed-vacuum source with 11 spatial mode}, volume={39}, DOI={10.1364/ol.39.002403}, number={82403},
journal={Optics Letters}, publisher={The Optical Society}, author={Pérez, A. M.
and Iskhakov, T. Sh. and Sharapova, Polina and Lemieux, S. and Tikhonova, O. V.
and Chekhova, M. V. and Leuchs, G.}, year={2014} }'
chicago: Pérez, A. M., T. Sh. Iskhakov, Polina Sharapova, S. Lemieux, O. V. Tikhonova,
M. V. Chekhova, and G. Leuchs. “Bright Squeezed-Vacuum Source with 11 Spatial
Mode.” Optics Letters 39, no. 8 (2014). https://doi.org/10.1364/ol.39.002403.
ieee: 'A. M. Pérez et al., “Bright squeezed-vacuum source with 11 spatial
mode,” Optics Letters, vol. 39, no. 8, Art. no. 2403, 2014, doi: 10.1364/ol.39.002403.'
mla: Pérez, A. M., et al. “Bright Squeezed-Vacuum Source with 11 Spatial Mode.”
Optics Letters, vol. 39, no. 8, 2403, The Optical Society, 2014, doi:10.1364/ol.39.002403.
short: A.M. Pérez, T.Sh. Iskhakov, P. Sharapova, S. Lemieux, O.V. Tikhonova, M.V.
Chekhova, G. Leuchs, Optics Letters 39 (2014).
date_created: 2023-01-26T14:31:00Z
date_updated: 2025-12-16T11:17:02Z
department:
- _id: '15'
- _id: '569'
- _id: '170'
- _id: '35'
- _id: '230'
doi: 10.1364/ol.39.002403
intvolume: ' 39'
issue: '8'
keyword:
- Atomic and Molecular Physics
- and Optics
language:
- iso: eng
publication: Optics Letters
publication_identifier:
issn:
- 0146-9592
- 1539-4794
publication_status: published
publisher: The Optical Society
status: public
title: Bright squeezed-vacuum source with 11 spatial mode
type: journal_article
user_id: '16199'
volume: 39
year: '2014'
...
---
_id: '43198'
abstract:
- lang: eng
text: Ultrafast charge transport in strongly biased semiconductors is at the heart
of high-speed electronics, electro-optics and fundamental solid-state physics1,2,3,4,5,6,7,8,9,10,11,12,13.
Intense light pulses in the terahertz spectral range have opened fascinating vistas14,15,16,17,18,19,20,21.
Because terahertz photon energies are far below typical electronic interband resonances,
a stable electromagnetic waveform may serve as a precisely adjustable bias5,11,17,19.
Novel quantum phenomena have been anticipated for terahertz amplitudes, reaching
atomic field strengths8,9,10. We exploit controlled (multi-)terahertz waveforms
with peak fields of 72 MV cm−1 to drive coherent interband polarization combined
with dynamical Bloch oscillations in semiconducting gallium selenide. These dynamics
entail the emission of phase-stable high-harmonic transients, covering the entire
terahertz-to-visible spectral domain between 0.1 and 675 THz. Quantum interference
of different ionization paths of accelerated charge carriers is controlled via
the waveform of the driving field and explained by a quantum theory of inter-
and intraband dynamics. Our results pave the way towards all-coherent terahertz-rate
electronics.
article_number: 119-123
author:
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: O.
full_name: Schubert, O.
last_name: Schubert
- first_name: M.
full_name: Hohenleutner, M.
last_name: Hohenleutner
- first_name: F.
full_name: Langer, F.
last_name: Langer
- first_name: B.
full_name: Urbanek, B.
last_name: Urbanek
- first_name: C.
full_name: Lange, C.
last_name: Lange
- first_name: U.
full_name: Huttner, U.
last_name: Huttner
- first_name: D.
full_name: Golde, D.
last_name: Golde
- first_name: M.
full_name: Kira, M.
last_name: Kira
- first_name: S. W.
full_name: Koch, S. W.
last_name: Koch
- first_name: R.
full_name: Huber, R.
last_name: Huber
citation:
ama: Meier T, Schubert O, Hohenleutner M, et al. Sub-cycle control of terahertz
high-harmonic generation by dynamical Bloch oscillations. Nature Photonics.
2014;8(2). doi:10.1038/nphoton.2013.349
apa: Meier, T., Schubert, O., Hohenleutner, M., Langer, F., Urbanek, B., Lange,
C., Huttner, U., Golde, D., Kira, M., Koch, S. W., & Huber, R. (2014). Sub-cycle
control of terahertz high-harmonic generation by dynamical Bloch oscillations.
Nature Photonics, 8(2), Article 119–123. https://doi.org/10.1038/nphoton.2013.349
bibtex: '@article{Meier_Schubert_Hohenleutner_Langer_Urbanek_Lange_Huttner_Golde_Kira_Koch_et
al._2014, title={Sub-cycle control of terahertz high-harmonic generation by dynamical
Bloch oscillations}, volume={8}, DOI={10.1038/nphoton.2013.349},
number={2119–123}, journal={Nature Photonics}, publisher={Nature Publishing Group},
author={Meier, Torsten and Schubert, O. and Hohenleutner, M. and Langer, F. and
Urbanek, B. and Lange, C. and Huttner, U. and Golde, D. and Kira, M. and Koch,
S. W. and et al.}, year={2014} }'
chicago: Meier, Torsten, O. Schubert, M. Hohenleutner, F. Langer, B. Urbanek, C.
Lange, U. Huttner, et al. “Sub-Cycle Control of Terahertz High-Harmonic Generation
by Dynamical Bloch Oscillations.” Nature Photonics 8, no. 2 (2014). https://doi.org/10.1038/nphoton.2013.349.
ieee: 'T. Meier et al., “Sub-cycle control of terahertz high-harmonic generation
by dynamical Bloch oscillations,” Nature Photonics, vol. 8, no. 2, Art.
no. 119–123, 2014, doi: 10.1038/nphoton.2013.349.'
mla: Meier, Torsten, et al. “Sub-Cycle Control of Terahertz High-Harmonic Generation
by Dynamical Bloch Oscillations.” Nature Photonics, vol. 8, no. 2, 119–123,
Nature Publishing Group, 2014, doi:10.1038/nphoton.2013.349.
short: T. Meier, O. Schubert, M. Hohenleutner, F. Langer, B. Urbanek, C. Lange,
U. Huttner, D. Golde, M. Kira, S.W. Koch, R. Huber, Nature Photonics 8 (2014).
date_created: 2023-03-29T21:14:30Z
date_updated: 2025-12-16T16:48:01Z
department:
- _id: '293'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1038/nphoton.2013.349
intvolume: ' 8'
issue: '2'
language:
- iso: eng
publication: Nature Photonics
publisher: Nature Publishing Group
status: public
title: Sub-cycle control of terahertz high-harmonic generation by dynamical Bloch
oscillations
type: journal_article
user_id: '16199'
volume: 8
year: '2014'
...