High-pressure phases, vibrational properties, and electronic structure ofNe(He)2andAr(He)2: A first-principles study

C. Cazorla; D. Errandonea; E. Sola

doi:10.1103/physrevb.80.064105

High-pressure phases, vibrational properties, and electronic structure ofNe(He)2andAr(He)2: A first-principles study

Physical Review B ◽

10.1103/physrevb.80.064105 ◽

2009 ◽

Vol 80 (6) ◽

Cited By ~ 49

Author(s):

C. Cazorla ◽

D. Errandonea ◽

E. Sola

Keyword(s):

High Pressure ◽

Electronic Structure ◽

First Principles ◽

Vibrational Properties ◽

First Principles Study

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First-principles study on the electronic structure, phonons and optical properties of LaB6 under high-pressure

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2016.02.179 ◽

2016 ◽

Vol 672 ◽

pp. 419-425 ◽

Cited By ~ 10

Author(s):

Luomeng Chao ◽

Lihong Bao ◽

Wei Wei ◽

Tegus O ◽

Zhidong Zhang

Keyword(s):

High Pressure ◽

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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First-principles study of structural, electronic, ferroelectric, and vibrational properties of BiInO3 under high pressure

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2019.06.009 ◽

2019 ◽

Vol 134 ◽

pp. 225-237

Author(s):

J. Kaczkowski

Keyword(s):

High Pressure ◽

First Principles ◽

Vibrational Properties ◽

First Principles Study

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First-principles study of the structural transformation, electronic structure, and optical properties of crystalline 2,6-diamino-3,5-dinitropyrazine-1-oxide under high pressure

Journal of Molecular Modeling ◽

10.1007/s00894-013-1995-5 ◽

2013 ◽

Vol 19 (12) ◽

pp. 5159-5170 ◽

Cited By ~ 11

Author(s):

Qiong Wu ◽

Chunhong Yang ◽

Yong Pan ◽

Fang Xiang ◽

Zhichao Liu ◽

...

Keyword(s):

High Pressure ◽

Optical Properties ◽

Electronic Structure ◽

Structural Transformation ◽

First Principles ◽

First Principles Study

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First-principles study on the phase transition, elastic properties and electronic structure of Pt3Al alloys under high pressure

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2014.02.001 ◽

2014 ◽

Vol 597 ◽

pp. 200-204 ◽

Cited By ~ 13

Author(s):

Yanjun Liu ◽

Huawei Huang ◽

Yong Pan ◽

Guanghui Zhao ◽

Zheng Liang

Keyword(s):

Phase Transition ◽

High Pressure ◽

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure

Physica B Condensed Matter ◽

10.1016/j.physb.2011.05.046 ◽

2011 ◽

Vol 406 (17) ◽

pp. 3303-3307 ◽

Cited By ~ 6

Author(s):

A.T. Asvini meenaatci ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

High Pressure ◽

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Metal Nitride ◽

Transition Metal Nitride ◽

First Principles Study

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First-principles study of pentaerythritol tetranitrate single crystals under high pressure: Vibrational properties

Chemical Physics Letters ◽

10.1016/j.cplett.2006.07.046 ◽

2006 ◽

Vol 428 (4-6) ◽

pp. 394-399 ◽

Cited By ~ 30

Author(s):

W.F. Perger ◽

Jijun Zhao ◽

J.M. Winey ◽

Y.M. Gupta

Keyword(s):

High Pressure ◽

Single Crystals ◽

First Principles ◽

Vibrational Properties ◽

Pentaerythritol Tetranitrate ◽

First Principles Study

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First principles study on electronic structure and optical properties of novel Na-hP4 high pressure phase

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(09)60262-4 ◽

2010 ◽

Vol 20 (6) ◽

pp. 1092-1096

Author(s):

Yi-min SHI ◽

Shao-long YE

Keyword(s):

High Pressure ◽

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

High Pressure Phase ◽

First Principles Study ◽

Pressure Phase

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Electronic structure and optical properties of CsI under high pressure: a first-principles study

RSC Advances ◽

10.1039/c7ra08777b ◽

2017 ◽

Vol 7 (83) ◽

pp. 52449-52455 ◽

Cited By ~ 6

Author(s):

Qiang Zhao ◽

Zheng Zhang ◽

Xiaoping Ouyang

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

Calculation Method ◽

Density Functional ◽

First Principles Calculation ◽

Functional Theory ◽

First Principles Study

We investigated the effects of high pressure on the electronic structure and optical properties of a CsI crystal through a first-principles calculation method based on density functional theory.

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First-principles study of structural and vibrational properties of crystalline silver azide under high pressure

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2007.10.016 ◽

2007 ◽

Vol 180 (12) ◽

pp. 3521-3528 ◽

Cited By ~ 30

Author(s):

Weihua Zhu ◽

Heming Xiao

Keyword(s):

High Pressure ◽

First Principles ◽

Vibrational Properties ◽

Silver Azide ◽

First Principles Study

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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