Phase transition and thermodynamic properties of beryllium from first-principles calculations

Computational Materials Science ◽

10.1016/j.commatsci.2013.12.013 ◽

2014 ◽

Vol 84 ◽

pp. 139-144 ◽

Author(s):

Zhi-Cheng Guo ◽

Fen Luo ◽

Yan Cheng

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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First-principles calculations of phase transition, elasticity, phonon spectra, and thermodynamic properties for CeO2 polymorphs

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2021.122761 ◽

2021 ◽

pp. 122761

Author(s):

Ye-Xin Yang ◽

Song-Lin Zhu ◽

Zhi-Feng Zhang ◽

Xiao-Hui Liu ◽

Lin-Shan Li ◽

...

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations ◽

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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 ◽

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 ◽

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Phase transition and thermodynamic properties of BiFeO3from first-principles calculations

Chinese Physics B ◽

10.1088/1674-1056/22/3/037101 ◽

2013 ◽

Vol 22 (3) ◽

pp. 037101 ◽

Author(s):

Qiang Li ◽

Duo-Hui Huang ◽

Qi-Long Cao ◽

Fan-Hou Wang

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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Phase transition and thermodynamic properties of SrS via first-principles calculations

Chinese Physics B ◽

10.1088/1674-1056/17/4/033 ◽

2008 ◽

Vol 17 (4) ◽

pp. 1355-1359 ◽

Author(s):

Cheng Yan ◽

Lu Lai-Yu ◽

Jia Ou-He ◽

Chen Xiang-Rong

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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Phase transition and thermodynamic properties of TiN under pressure via first-principles calculations

Journal of Thermal Analysis and Calorimetry ◽

10.1007/s10973-011-1927-5 ◽

2011 ◽

Vol 110 (2) ◽

pp. 973-978 ◽

Author(s):

Ke Liu ◽

Xiao-Lin Zhou ◽

Hai-Hua Chen ◽

Lai-Yu Lu

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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First-principles calculations of phase transition, elasticity, phonon spectra, and thermodynamic properties for hafnium

Computational Materials Science ◽

10.1016/j.commatsci.2018.10.028 ◽

2019 ◽

Vol 157 ◽

pp. 121-131 ◽

Author(s):

Cheng-Bin Zhang ◽

Wei-Dong Li ◽

Ping Zhang ◽

Bao-Tian Wang

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations ◽

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Phase transition and thermodynamic properties of ThO2 from first-principles calculations

Physica B Condensed Matter ◽

10.1016/j.physb.2013.05.002 ◽

2013 ◽

Vol 423 ◽

pp. 77-81 ◽

Author(s):

Fan-Hou Wang ◽

Qiang Li ◽

Duo-Hui Huang ◽

Qi-Long Cao ◽

Jun-Sheng Yang ◽

...

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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Phase transition and thermodynamic properties of YAg alloy from first-principles calculations

Computational Materials Science ◽

10.1016/j.commatsci.2015.02.011 ◽

2015 ◽

Vol 102 ◽

pp. 21-26 ◽

Author(s):

Chunying Pu ◽

Dawei Zhou ◽

Yuling Song ◽

Zhuo Wang ◽

Feiwu Zhang ◽

...

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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The phase transition, and elastic and thermodynamic properties of CaS derived from first-principles calculations

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/11/115203 ◽

2008 ◽

Vol 20 (11) ◽

pp. 115203 ◽

Author(s):

Yun-Dong Guo ◽

Ze-Jin Yang ◽

Qing-He Gao ◽

Zi-Jiang Liu ◽

Wei Dai

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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First-principles calculations of phase transition, elasticity, and thermodynamic properties for TiZr alloy

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2011.10.039 ◽

2012 ◽

Vol 420 (1-3) ◽

pp. 501-507 ◽

Author(s):

Bao-Tian Wang ◽

Wei-Dong Li ◽

Ping Zhang

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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