Electronic and thermodynamic properties of native point defects in V2O5: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp06002j ◽

2021 ◽

Author(s):

Lappawat Ngamwongwan ◽

Ittipon Fongkaew ◽

Sirichok Jungthawan ◽

Pussana Hirunsit ◽

Sukit Limpijumnong ◽

...

Keyword(s):

Thermodynamic Properties ◽

Point Defects ◽

First Principles ◽

Oxygen Vacancies ◽

Charge Carriers ◽

Native Point Defects ◽

First Principles Study

Dominant oxygen vacancies at synthesized conditions provide electron polarons as charge carriers in V2O5.

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First-principles study of native point defects in Bi2Se3

AIP Advances ◽

10.1063/1.4804439 ◽

2013 ◽

Vol 3 (5) ◽

pp. 052105 ◽

Cited By ~ 47

Author(s):

L. Xue ◽

P. Zhou ◽

C. X. Zhang ◽

C. Y. He ◽

G. L. Hao ◽

...

Keyword(s):

Point Defects ◽

First Principles ◽

Native Point Defects ◽

First Principles Study

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First-principles study of native point defects in ZnO

Physical Review B ◽

10.1103/physrevb.61.15019 ◽

2000 ◽

Vol 61 (22) ◽

pp. 15019-15027 ◽

Cited By ~ 1364

Author(s):

A. F. Kohan ◽

G. Ceder ◽

D. Morgan ◽

Chris G. Van de Walle

Keyword(s):

Point Defects ◽

First Principles ◽

Native Point Defects ◽

First Principles Study

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Effects of Ni doping and native point defects on magnetism of ZnO first-principles study

Journal of Applied Physics ◽

10.1063/1.5022780 ◽

2018 ◽

Vol 123 (5) ◽

pp. 055106 ◽

Cited By ~ 3

Keyword(s):

Point Defects ◽

First Principles ◽

Ni Doping ◽

Native Point Defects ◽

First Principles Study

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First-principles study on native point defects of cubic cuprite Ag2O

Journal of Applied Physics ◽

10.1063/1.4971764 ◽

2016 ◽

Vol 120 (21) ◽

pp. 215707 ◽

Cited By ~ 3

Author(s):

Yuan Yin ◽

Guangde Chen ◽

Xiangyang Duan ◽

Honggang Ye ◽

Wentao Jin ◽

...

Keyword(s):

Point Defects ◽

First Principles ◽

Native Point Defects ◽

First Principles Study

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The native point defects in C14 Mg 2 Ca Laves phase: A first-principles study

Intermetallics ◽

10.1016/j.intermet.2015.05.010 ◽

2015 ◽

Vol 65 ◽

pp. 29-34 ◽

Cited By ~ 4

Author(s):

Lin Shao ◽

Tao-Tao Shi ◽

Jie Zheng ◽

Xiong-Ze Pan ◽

Bi-Yu Tang

Keyword(s):

Point Defects ◽

First Principles ◽

Laves Phase ◽

Native Point Defects ◽

First Principles Study

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First-principles study of native point defects and diffusion behaviors of helium in zirconium carbide

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2015.06.008 ◽

2015 ◽

Vol 465 ◽

pp. 161-166 ◽

Cited By ~ 13

Author(s):

Xiaoyong Yang ◽

Yong Lu ◽

Ping Zhang

Keyword(s):

Point Defects ◽

First Principles ◽

Zirconium Carbide ◽

Native Point Defects ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Behaviors

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Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study

Physical Review B ◽

10.1103/physrevb.73.104101 ◽

2006 ◽

Vol 73 (10) ◽

Cited By ~ 73

Author(s):

J. X. Zheng ◽

G. Ceder ◽

T. Maxisch ◽

W. K. Chim ◽

W. K. Choi

Keyword(s):

Dielectric Constant ◽

Point Defects ◽

First Principles ◽

High Dielectric Constant ◽

Gate Oxide ◽

Oxide Material ◽

Native Point Defects ◽

First Principles Study ◽

High Dielectric

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First-principles study on the concentrations of native point defects in high-dielectric-constant binary oxide materials

physica status solidi (RRL) - Rapid Research Letters ◽

10.1002/pssr.200802152 ◽

2008 ◽

Vol 2 (5) ◽

pp. 227-229 ◽

Cited By ~ 9

Author(s):

J. X. Zheng ◽

G. Ceder ◽

W. K. Chim

Keyword(s):

Dielectric Constant ◽

Point Defects ◽

First Principles ◽

High Dielectric Constant ◽

Binary Oxide ◽

Oxide Materials ◽

Native Point Defects ◽

First Principles Study ◽

High Dielectric

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First-principles study of native point defects in hafnia and zirconia

Physical Review B ◽

10.1103/physrevb.75.104112 ◽

2007 ◽

Vol 75 (10) ◽

Cited By ~ 164

Author(s):

J. X. Zheng ◽

G. Ceder ◽

T. Maxisch ◽

W. K. Chim ◽

W. K. Choi

Keyword(s):

Point Defects ◽

First Principles ◽

Native Point Defects ◽

First Principles Study

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Native point defects in Bi2Se3: A first-principles study

Physics Letters A ◽

10.1016/j.physleta.2020.126281 ◽

2020 ◽

Vol 384 (14) ◽

pp. 126281

Author(s):

Shuangxi Wang ◽

Ping Zhang

Keyword(s):

Point Defects ◽

First Principles ◽

Native Point Defects ◽

First Principles Study

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