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Title: First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2

Authors:
ORCiD logo [1];  [1];  [1];  [1]
  1. The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, Pennsylvania 19104-6323, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1224321
Grant/Contract Number:  
FG02-07ER46431
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 141 Journal Issue: 20; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Brehm, John A., Young, Steve M., Zheng, Fan, and Rappe, Andrew M. First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2. United States: N. p., 2014. Web. doi:10.1063/1.4901433.
Brehm, John A., Young, Steve M., Zheng, Fan, & Rappe, Andrew M. First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2. United States. doi:10.1063/1.4901433.
Brehm, John A., Young, Steve M., Zheng, Fan, and Rappe, Andrew M. Tue . "First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2". United States. doi:10.1063/1.4901433.
@article{osti_1224321,
title = {First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2},
author = {Brehm, John A. and Young, Steve M. and Zheng, Fan and Rappe, Andrew M.},
abstractNote = {},
doi = {10.1063/1.4901433},
journal = {The Journal of Chemical Physics},
number = 20,
volume = 141,
place = {United States},
year = {Tue Nov 25 00:00:00 EST 2014},
month = {Tue Nov 25 00:00:00 EST 2014}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4901433

Citation Metrics:
Cited by: 10 works
Citation information provided by
Web of Science

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Works referenced in this record:

Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013

  • Grinberg, Ilya; West, D. Vincent; Torres, Maria
  • Nature, Vol. 503, Issue 7477, p. 509-512
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First Principles Calculation of the Shift Current Photovoltaic Effect in Ferroelectrics
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Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures
journal, March 2003