Intrinsic point defects in ternary MgCaSi: Ab initio investigation

2017 ◽  
Vol 32 (19) ◽  
pp. 3723-3731 ◽  
Author(s):  
Ya-Ping Wang ◽  
Yan Yang ◽  
Xiao-Jing Yao ◽  
Hai-Chen Wang ◽  
Bi-Yu Tang
Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Intrinsic Point Defects ◽  
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Abstract

Ab-initio Simulation of Formation and Diffusion Energies of Intrinsic Point Defects in Ge

2019 ◽  
Vol 16 (10) ◽  
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Jan Vanhellemont ◽  
Koji Sueoka ◽  
Krzysztof Kurzydlowski ◽  
Igor Romandic
Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Ab Initio Simulation ◽  
Intrinsic Point Defects ◽  
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scholarly journals Ab initio study of intrinsic point defects in PbTe: an insight into phase stability

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Vol 92 ◽  
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Gregory S. Pomrehn ◽  
Jeff W. Doak ◽  
Wojciech Gierlotka ◽  
Hsin-jay Wu ◽  
...  
Keyword(s):  
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Phase Stability ◽  
Ab Initio Study ◽  
Intrinsic Point Defects ◽  
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pp. 1657-1663 ◽  
Author(s):  
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S. Taunier ◽  
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Keyword(s):  
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Vol 24 (11) ◽  
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Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Point Defects ◽  
Intrinsic Point Defects
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