First-principles study of band gap engineering via oxygen vacancy doping in perovskiteABB′O3solid solutions

Tingting Qi; Matthew T. Curnan; Seungchul Kim; Joseph W. Bennett; Ilya Grinberg; Andrew M. Rappe

doi:10.1103/physrevb.84.245206

First-principles study of band gap engineering via oxygen vacancy doping in perovskiteABB′O3solid solutions

Physical Review B ◽

10.1103/physrevb.84.245206 ◽

2011 ◽

Vol 84 (24) ◽

Cited By ~ 21

Author(s):

Tingting Qi ◽

Matthew T. Curnan ◽

Seungchul Kim ◽

Joseph W. Bennett ◽

Ilya Grinberg ◽

...

Keyword(s):

Oxygen Vacancy ◽

Band Gap ◽

First Principles ◽

Band Gap Engineering ◽

First Principles Study ◽

Vacancy Doping

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Band gap engineering of FeS2 under biaxial strain: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03453h ◽

2014 ◽

Vol 16 (44) ◽

pp. 24466-24472 ◽

Cited By ~ 25

Author(s):

Pin Xiao ◽

Xiao-Li Fan ◽

Li-Min Liu ◽

Woon-Ming Lau

Keyword(s):

Band Gap ◽

First Principles ◽

Tensile Strain ◽

Biaxial Strain ◽

Band Gap Engineering ◽

First Principles Study ◽

Maximum Value

The band gap increases with increasing tensile strain to its maximum value at 6% strain and then decreases.

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Band gap engineering of monolayer ZrGeTe4 via strain: A first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2020.123308 ◽

2020 ◽

Vol 253 ◽

pp. 123308 ◽

Cited By ~ 1

Author(s):

Mukhtar Lawan Adam ◽

Oyawale Adetunji Moses ◽

Zia ur Rehman ◽

Zhanfeng Liu ◽

Li Song ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Band Gap Engineering ◽

First Principles Study

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Band gap engineering of CuAl1−xInxS2alloys for photovoltaic applications: a first principles study

Journal of Physics D Applied Physics ◽

10.1088/0022-3727/49/20/205103 ◽

2016 ◽

Vol 49 (20) ◽

pp. 205103 ◽

Cited By ~ 4

Author(s):

S Kumar ◽

Suman Joshi ◽

S K Gupta ◽

S Auluck

Keyword(s):

Band Gap ◽

First Principles ◽

Band Gap Engineering ◽

First Principles Study ◽

Photovoltaic Applications

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Band gap engineering in graphene and hexagonal BN antidot lattices: A first principles study

Applied Physics Letters ◽

10.1063/1.3536517 ◽

2011 ◽

Vol 98 (2) ◽

pp. 023105 ◽

Cited By ~ 39

Author(s):

Aihua Zhang ◽

Hao Fatt Teoh ◽

Zhenxiang Dai ◽

Yuan Ping Feng ◽

Chun Zhang

Keyword(s):

Band Gap ◽

First Principles ◽

Band Gap Engineering ◽

First Principles Study

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First-principles study of band gap engineering of ZnO by alloying with LiGaO2 for ultraviolet applications

Journal of Applied Physics ◽

10.1063/1.4818582 ◽

2013 ◽

Vol 114 (6) ◽

pp. 063715 ◽

Cited By ~ 8

Author(s):

Qing Fang Li ◽

Jer-Lai Kuo

Keyword(s):

Band Gap ◽

First Principles ◽

Band Gap Engineering ◽

First Principles Study

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Local strain effect on the band gap engineering of graphene by a first-principles study

Applied Physics Letters ◽

10.1063/1.4907410 ◽

2015 ◽

Vol 106 (5) ◽

pp. 053113 ◽

Cited By ~ 20

Author(s):

Gui Gui ◽

Dane Morgan ◽

John Booske ◽

Jianxin Zhong ◽

Zhenqiang Ma

Keyword(s):

Band Gap ◽

First Principles ◽

Local Strain ◽

Strain Effect ◽

Band Gap Engineering ◽

First Principles Study

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Tunability of Structure, Polarization, and Band Gap of High TC Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03980 ◽

2021 ◽

Author(s):

P. S. Ghosh ◽

J. Doherty ◽

S. Lisenkov ◽

I. Ponomareva

Keyword(s):

Hydrostatic Pressure ◽

Band Gap ◽

First Principles ◽

High Tc ◽

First Principles Study

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Band-gap engineering of CdS, CdSe and ZnSe first-principles calculations

2016 International Renewable and Sustainable Energy Conference (IRSEC) ◽

10.1109/irsec.2016.7983969 ◽

2016 ◽

Author(s):

Rachida Lamouri ◽

El Mehdi Salmani ◽

Hamid Ez-zahraouy ◽

Abdelilah Benyoussef

Keyword(s):

Band Gap ◽

First Principles ◽

First Principles Calculations ◽

Band Gap Engineering

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Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 43

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Oxygen vacancy in LiTiPO5 and LiTi2(PO4)3: A first-principles study

Physics Letters A ◽

10.1016/j.physleta.2010.12.063 ◽

2011 ◽

Vol 375 (5) ◽

pp. 934-938 ◽

Cited By ~ 20

Author(s):

Li-Juan Chen ◽

Yu-Jun Zhao ◽

Jia-Yan Luo ◽

Yong-Yao Xia

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

First Principles Study

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