Theoretical Investigation the Mechanical and Thermodynamic Properties of α and β-phase Solid Electrolytes Na3PS4

2019 ◽  
Vol 166 (13) ◽  
pp. A3011-A3018 ◽  
Author(s):  
Weina Liu ◽  
Haoran Sun ◽  
Youtian Niu
Keyword(s):  
Thermodynamic Properties ◽  
Theoretical Investigation ◽  
Solid Electrolytes ◽  
Β Phase

A theoretical investigation of the electronic structure and some thermodynamic properties of β-PbF2

1988 ◽  
Vol 21 (31) ◽  
pp. 5351-5359 ◽  
Author(s):  
M Nizam ◽  
Y Bouteiller ◽  
B Silvi ◽  
C Pisani ◽  
M Causa ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermodynamic Properties ◽  
Theoretical Investigation

Theoretical investigation of electronic structure, elastic and thermodynamic properties of chalcopyrite CdSiP2

2013 ◽  
Vol 72 ◽  
pp. 26-31 ◽  
Author(s):  
Zhiyu He ◽  
Beijun Zhao ◽  
Shifu Zhu ◽  
Baojun Chen ◽  
Haijun Hou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermodynamic Properties ◽  
Theoretical Investigation

scholarly journals First-principles study on structural, electronic, vibrational and thermodynamic properties of Sr10(PO4)6X2(X = F, Cl, Br)

RSC Advances ◽  
2017 ◽  
Vol 7 (48) ◽  
pp. 30310-30319 ◽  
Author(s):  
Zhihong Yuan ◽  
Tao Gao ◽  
Yuanlei Zheng ◽  
Shenggui Ma ◽  
Mingli Yang ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Structural Stability ◽  
Theoretical Investigation ◽  
First Principles ◽  
First Principles Calculations ◽  
First Principles Study

A theoretical investigation on the structural stability, electronic, vibrational, and thermodynamic properties of the strontium apatites Sr10(PO4)6X2(X = F, Cl, Br) is systematically conducted by the first-principles calculations.

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