First-principles study of phase transition, elastic and thermodynamic properties of ZnSe at high pressure

Tao Yang; Xuejun Zhu; Junyi Ji; Jun Wang

doi:10.1038/s41598-020-59687-9

First-principles study of phase transition, elastic and thermodynamic properties of ZnSe at high pressure

Scientific Reports ◽

10.1038/s41598-020-59687-9 ◽

2020 ◽

Vol 10 (1) ◽

Author(s):

Tao Yang ◽

Xuejun Zhu ◽

Junyi Ji ◽

Jun Wang

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Study

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Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽

10.1039/d0ra09238j ◽

2021 ◽

Vol 11 (5) ◽

pp. 3058-3070

Author(s):

Yu Zhou ◽

Lan-Ting Shi ◽

A-Kun Liang ◽

Zhao-Yi Zeng ◽

Xiang-Rong Chen ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

Electronic Structures ◽

Pressure Range ◽

Mechanical Stability ◽

First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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Mechanical and thermodynamic properties of ZrO2 under high-pressure phase transition: A first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2014.08.114 ◽

2015 ◽

Vol 622 ◽

pp. 504-512 ◽

Cited By ~ 19

Author(s):

Wei Wang ◽

Zuozhong Liang ◽

Xianglong Han ◽

Jianfeng Chen ◽

Chunyu Xue ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

High Pressure Phase ◽

First Principles Study ◽

High Pressure Phase Transition ◽

Pressure Phase

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Structure, mechanical, electronic, and thermodynamic properties of marcasite-structure TMN2(TM = Ru, Rh, Os, and Ir) under high pressure: A first-principles study

physica status solidi (b) ◽

10.1002/pssb.201552545 ◽

2015 ◽

Vol 253 (3) ◽

pp. 527-537 ◽

Cited By ~ 5

Author(s):

Bing Dong ◽

Ke Liu ◽

Xiao-Lin Zhou ◽

Jiao Tan ◽

Xiao-Chun Mao ◽

...

Keyword(s):

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Study

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High-pressure formation of antimony nitrides: a first-principles study

RSC Advances ◽

10.1039/c9ra09438e ◽

2020 ◽

Vol 10 (5) ◽

pp. 2448-2452

Author(s):

Lili Lian ◽

Yan Liu ◽

Da Li ◽

Shuli Wei

Keyword(s):

Phase Transition ◽

High Pressure ◽

Electronic Properties ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

First Principles Study ◽

Bonding Properties ◽

First Principles Method

The structural phase transition, electronic properties, and bonding properties of antimony nitrides have been studied by using a first principles method.

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High-pressure phase transition and thermodynamic properties from first-principles calculations: Application to cubic copper iodide

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2017.10.016 ◽

2018 ◽

Vol 203 ◽

pp. 362-373 ◽

Cited By ~ 8

Author(s):

Nadhira Bioud ◽

Kamel Kassali ◽

Xiao-Wei Sun ◽

Ting Song ◽

Rabah Khenata ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

High Pressure Phase ◽

First Principles Calculations ◽

Copper Iodide ◽

High Pressure Phase Transition ◽

Pressure Phase

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Synthesizing Metastable Rocksalt-Type MgTe Based on High-Pressure Solid-State Phase Transition: A First-Principles Study

Chinese Physics Letters ◽

10.1088/0256-307x/26/11/113101 ◽

2009 ◽

Vol 26 (11) ◽

pp. 113101 ◽

Cited By ~ 3

Author(s):

Cai Ying-Xiang ◽

Xu Rui

Keyword(s):

Phase Transition ◽

High Pressure ◽

Solid State ◽

First Principles ◽

First Principles Study

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Compression mechanism of cubic silica sodalite [Si12O24]: a first principles study of the Im3̅m to I4̅3m phase transition

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1524/zkri.216.9.495.20347 ◽

2001 ◽

Vol 216 (9) ◽

Cited By ~ 2

Author(s):

K. Knorr ◽

B. Winkler ◽

V. Milman

Keyword(s):

Phase Transition ◽

High Pressure ◽

First Principles ◽

First Principles Study ◽

Compression Mechanism

AbstractThe high pressure behaviour of cubic silica sodalite has been investigated by

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First-principles study of elastic and thermodynamic properties of orthorhombic OsB4 under high pressure

Solid State Sciences ◽

10.1016/j.solidstatesciences.2012.12.015 ◽

2013 ◽

Vol 18 ◽

pp. 17-23 ◽

Cited By ~ 18

Author(s):

Hai-Yan Yan ◽

Mei-Guang Zhang ◽

Duo-Hui Huang ◽

Qun Wei

Keyword(s):

High Pressure ◽

Thermodynamic Properties ◽

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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The disproportionation reaction phase transition, mechanical, and lattice dynamical properties of the lanthanum dihydrides under high pressure: A first principles study

Solid State Sciences ◽

10.1016/j.solidstatesciences.2014.03.019 ◽

2014 ◽

Vol 32 ◽

pp. 76-82 ◽

Cited By ~ 8

Author(s):

Jin-Wen Yang ◽

Tao Gao ◽

Yan-Rong Gong

Keyword(s):

Phase Transition ◽

High Pressure ◽

First Principles ◽

Disproportionation Reaction ◽

Reaction Phase ◽

First Principles Study ◽

Dynamical Properties

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