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

John A. Brehm; Steve M. Young; Fan Zheng; Andrew M. Rappe

doi:10.1063/1.4901433

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

The Journal of Chemical Physics ◽

10.1063/1.4901433 ◽

2014 ◽

Vol 141 (20) ◽

pp. 204704 ◽

Cited By ~ 26

Author(s):

John A. Brehm ◽

Steve M. Young ◽

Fan Zheng ◽

Andrew M. Rappe

Keyword(s):

First Principles ◽

Photovoltaic Effect ◽

Polar Compounds ◽

First Principles Calculation

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First-Principles Calculation of the Bulk Photovoltaic Effect in CH3NH3PbI3 and CH3NH3PbI3–xClx

The Journal of Physical Chemistry Letters ◽

10.1021/jz502109e ◽

2014 ◽

Vol 6 (1) ◽

pp. 31-37 ◽

Cited By ~ 130

Author(s):

Fan Zheng ◽

Hiroyuki Takenaka ◽

Fenggong Wang ◽

Nathan Z. Koocher ◽

Andrew M. Rappe

Keyword(s):

First Principles ◽

Photovoltaic Effect ◽

First Principles Calculation

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First Principles Calculation of the Shift Current Photovoltaic Effect in Ferroelectrics

Physical Review Letters ◽

10.1103/physrevlett.109.116601 ◽

2012 ◽

Vol 109 (11) ◽

Cited By ~ 239

Author(s):

Steve M. Young ◽

Andrew M. Rappe

Keyword(s):

First Principles ◽

Photovoltaic Effect ◽

First Principles Calculation

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First-Principles Calculation of the Bulk Photovoltaic Effect in Bismuth Ferrite

Physical Review Letters ◽

10.1103/physrevlett.109.236601 ◽

2012 ◽

Vol 109 (23) ◽

Cited By ~ 137

Author(s):

Steve M. Young ◽

Fan Zheng ◽

Andrew M. Rappe

Keyword(s):

First Principles ◽

Photovoltaic Effect ◽

Bismuth Ferrite ◽

First Principles Calculation

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First-principles calculation of shift current bulk photovoltaic effect in two-dimensional α- In2Se3

Physical Review B ◽

10.1103/physrevb.101.235448 ◽

2020 ◽

Vol 101 (23) ◽

Cited By ~ 1

Author(s):

Rajender Prasad Tiwari ◽

Balaji Birajdar ◽

Ram Krishna Ghosh

Keyword(s):

First Principles ◽

Photovoltaic Effect ◽

First Principles Calculation ◽

Two Dimensional

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First-principles calculation of the bulk photovoltaic effect inKNbO3and (K,Ba)(Ni,Nb)O3−δ

Physical Review B ◽

10.1103/physrevb.91.165124 ◽

2015 ◽

Vol 91 (16) ◽

Cited By ~ 39

Author(s):

Fenggong Wang ◽

Andrew M. Rappe

Keyword(s):

First Principles ◽

Photovoltaic Effect ◽

First Principles Calculation

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FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816181 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-625-C6-627 ◽

Cited By ~ 2

Author(s):

P. E. Van Camp ◽

V. E. Van Doren ◽

J. T. Devreese

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Phonon Spectra

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First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

SSRN Electronic Journal ◽

10.2139/ssrn.3581344 ◽

2020 ◽

Author(s):

Huibin Ke ◽

Tianshu Li ◽

Pin Lu ◽

Gerald S. Frankel ◽

Christopher D. Taylor

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Corrosion Resistant ◽

Susceptibility Index

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A FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC MOMENT AND ELECTRONIC STRUCTURE FOR SELECTED HALF-HEUSLER ALLOYS

Modern Trends in Physics Research ◽

10.1142/9789814317511_0005 ◽

2011 ◽

Author(s):

SAMY H. ALY ◽

RIHAM SHAPARA ◽

SHERIF YEHIA

Keyword(s):

Electronic Structure ◽

Magnetic Moment ◽

First Principles ◽

Heusler Alloys ◽

First Principles Calculation

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First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds

Advances in Materials and Processing Technologies ◽

10.1080/2374068x.2021.1939991 ◽

2021 ◽

pp. 1-13

Author(s):

Mohamed Al-Hattab ◽

L’Houcine Moudou ◽

younes Chrafih ◽

Khalid Rahmani ◽

Mohammed Khenfouch ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Optical Properties

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First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

Journal of Molecular Modeling ◽

10.1007/s00894-021-04803-3 ◽

2021 ◽

Vol 27 (6) ◽

Author(s):

Wen-Guang Li ◽

Yun-Dan Gan ◽

Zhi-Xin Bai ◽

Ming-Jian Zhang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculation

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