First-principles study of structural stability and electronic properties of rhombohedral and tetragonal PbZr0.5Ti0.5O3

Acta Physica Sinica ◽

10.7498/aps.61.047103 ◽

2012 ◽

Vol 61 (4) ◽

pp. 047103

Author(s):

Shao Qing-Sheng ◽

Liu Shi-Yu ◽

Zhao Hui ◽

Yu Da-Shu ◽

Cao Mao-Sheng

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of structural stability, elastic and electronic properties of ternary rare earth-transition metal—Borides and carbides (RTxZ, R=Sc, Y, and La, T=Pt and Pd, Z=B and C, and x=2, 3, and 4)

Physica B Condensed Matter ◽

10.1016/j.physb.2013.08.031 ◽

2013 ◽

Vol 431 ◽

pp. 58-68 ◽

Author(s):

Tiankai Yao ◽

Yachun Wang ◽

Hui Li ◽

Jie Lian ◽

Jingwu Zhang ◽

...

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

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First-principles study on the structural stability and electronic properties of AlN/GaN heterostructure nanoribbons

Superlattices and Microstructures ◽

10.1016/j.spmi.2013.02.001 ◽

2013 ◽

Vol 57 ◽

pp. 37-43 ◽

Author(s):

Zhengwei Zhang ◽

Youlong Xu

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Gan Heterostructure

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Structural stability and electronic properties of the new superconductor (Ca4Al2O6 −x)(Fe2As2) from first-principles study

Superconductor Science and Technology ◽

10.1088/0953-2048/24/10/105014 ◽

2011 ◽

Vol 24 (10) ◽

pp. 105014 ◽

Author(s):

Yun-Li Zhang ◽

Ji-Hua Zhang ◽

Xiang-Ming Tao ◽

Ming-Qiu Tan

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

New Superconductor

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First-principles study of structural stability and electronic properties of tetragonal and orthorhombic as well as monoclinic K0.5Na0.5NbO3

Acta Physica Sinica ◽

10.7498/aps.62.177102 ◽

2013 ◽

Vol 62 (17) ◽

pp. 177102

Author(s):

Liu Shi-Yu ◽

Yu Da-Shu ◽

L Yue-Kai ◽

Li De-Jun ◽

Cao Mao-Sheng

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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Structural stability and electronic properties of β-tetragonal boron: A first-principles study

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2014.10.012 ◽

2015 ◽

Vol 221 ◽

pp. 378-383 ◽

Author(s):

Wataru Hayami

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study on the structural stability and electronic properties of GaAs/Ga1−xAlxAs superlattice nanowires

Journal of Nanoparticle Research ◽

10.1007/s11051-020-05074-4 ◽

2020 ◽

Vol 22 (11) ◽

Author(s):

Lei Liu ◽

Yu Diao ◽

Sihao Xia

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of structural stability and electronic properties of Sb/GaSb(111) semimetal–semiconductor superlattice

Journal of Applied Physics ◽

10.1063/1.368649 ◽

1998 ◽

Vol 84 (8) ◽

pp. 4309-4313

Author(s):

Yu-mei Zhou ◽

E. G. Wang

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

Semiconductor Superlattice ◽

First Principles Study

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Structural stability and electronic properties of InSb nanowires: A first-principles study

Journal of Applied Physics ◽

10.1063/1.4916250 ◽

2015 ◽

Vol 117 (12) ◽

pp. 125707 ◽

Author(s):

Yong Zhang ◽

Li-Ming Tang ◽

Feng Ning ◽

Dan Wang ◽

Ke-Qiu Chen

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

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First-principles study on structural stability and electronic properties of GaAs nanowire undergoing surface oxidization

Applied Surface Science ◽

10.1016/j.apsusc.2019.144231 ◽

2020 ◽

Vol 501 ◽

pp. 144231 ◽

Author(s):

Yu Diao ◽

Lei Liu ◽

Sihao Xia

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Gaas Nanowire ◽

Surface Oxidization

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Investigation of structural stability and electronic properties of group III nitrides: a first principles study

Phase Transitions ◽

10.1080/01411594.2012.713486 ◽

2013 ◽

Vol 86 (6) ◽

pp. 570-584 ◽

Author(s):

A.T. Asvini Meenaatci ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

Group Iii Nitrides ◽

Group Iii ◽

First Principles Study

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