---
_id: '23418'
abstract:
- lang: eng
text: Density-functional theory within a Berry-phase formulation of the dynamical
polarization is used to determine the second-order susceptibility χ(2) of lithium
niobate (LiNbO3). Defect trapped polarons and bipolarons are found to strongly
enhance the nonlinear susceptibility of the material, in particular if localized
at NbV–VLi defect pairs. This is essentially a consequence of the polaronic excitation
resulting in relaxation-induced gap states. The occupation of these levels leads
to strongly enhanced χ(2) coefficients and allows for the spatial and transient
modification of the second-harmonic generation of macroscopic samples.
article_type: original
author:
- first_name: Agnieszka L.
full_name: Kozub, Agnieszka L.
id: '77566'
last_name: Kozub
orcid: https://orcid.org/0000-0001-6584-0201
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- 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: Kozub AL, Schindlmayr A, Gerstmann U, Schmidt WG. Polaronic enhancement of
second-harmonic generation in lithium niobate. Physical Review B. 2021;104:174110.
doi:10.1103/PhysRevB.104.174110
apa: Kozub, A. L., Schindlmayr, A., Gerstmann, U., & Schmidt, W. G. (2021).
Polaronic enhancement of second-harmonic generation in lithium niobate. Physical
Review B, 104, 174110. https://doi.org/10.1103/PhysRevB.104.174110
bibtex: '@article{Kozub_Schindlmayr_Gerstmann_Schmidt_2021, title={Polaronic enhancement
of second-harmonic generation in lithium niobate}, volume={104}, DOI={10.1103/PhysRevB.104.174110},
journal={Physical Review B}, publisher={American Physical Society}, author={Kozub,
Agnieszka L. and Schindlmayr, Arno and Gerstmann, Uwe and Schmidt, Wolf Gero},
year={2021}, pages={174110} }'
chicago: 'Kozub, Agnieszka L., Arno Schindlmayr, Uwe Gerstmann, and Wolf Gero Schmidt.
“Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate.” Physical
Review B 104 (2021): 174110. https://doi.org/10.1103/PhysRevB.104.174110.'
ieee: 'A. L. Kozub, A. Schindlmayr, U. Gerstmann, and W. G. Schmidt, “Polaronic
enhancement of second-harmonic generation in lithium niobate,” Physical Review
B, vol. 104, p. 174110, 2021, doi: 10.1103/PhysRevB.104.174110.'
mla: Kozub, Agnieszka L., et al. “Polaronic Enhancement of Second-Harmonic Generation
in Lithium Niobate.” Physical Review B, vol. 104, American Physical Society,
2021, p. 174110, doi:10.1103/PhysRevB.104.174110.
short: A.L. Kozub, A. Schindlmayr, U. Gerstmann, W.G. Schmidt, Physical Review B
104 (2021) 174110.
date_created: 2021-08-16T19:09:46Z
date_updated: 2023-04-21T11:15:30Z
ddc:
- '530'
department:
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '295'
- _id: '15'
- _id: '170'
- _id: '790'
doi: 10.1103/PhysRevB.104.174110
external_id:
arxiv:
- '2106.01145'
isi:
- '000720931400007'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2021-11-18T20:49:19Z
date_updated: 2021-11-18T20:49:19Z
description: © 2021 American Physical Society
file_id: '27577'
file_name: PhysRevB.104.174110.pdf
file_size: 804012
relation: main_file
title: Polaronic enhancement of second-harmonic generation in lithium niobate
file_date_updated: 2021-11-18T20:49:19Z
has_accepted_license: '1'
intvolume: ' 104'
isi: '1'
language:
- iso: eng
oa: '1'
page: '174110'
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review B
publication_identifier:
eissn:
- 2469-9969
issn:
- 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Polaronic enhancement of second-harmonic generation in lithium niobate
type: journal_article
user_id: '171'
volume: 104
year: '2021'
...