Ab initio Calculations of Intrinsic Point Defects in ZnSb

2012 ◽  
Vol 24 (11) ◽  
pp. 2111-2116 ◽  
Author(s):  
Lasse Bjerg ◽  
Georg K. H. Madsen ◽  
Bo B. Iversen
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Point Defects ◽  
Intrinsic Point Defects

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 ◽  
Image Position

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scholarly journals Point Defects in TiNi-based Alloys from Ab-initio Calculations

2015 ◽  
Vol 2 ◽  
pp. S615-S618 ◽  
Author(s):  
S.E. Kulkova ◽  
A.V. Bakulin ◽  
Q.M. Hu ◽  
R. Yang
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Point Defects

Impact of point defects on the elastic properties of BaZrO3: Comprehensive insight from experiments and ab initio calculations

2018 ◽  
Vol 160 ◽  
pp. 247-256 ◽  
Author(s):  
M.F. Hoedl ◽  
E. Makagon ◽  
I. Lubomirsky ◽  
R. Merkle ◽  
E.A. Kotomin ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Properties ◽  
Point Defects

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

2019 ◽  
Vol 16 (10) ◽  
pp. 659-667
Author(s):  
Piotr Spiewak ◽  
Jan Vanhellemont ◽  
Koji Sueoka ◽  
Krzysztof Kurzydlowski ◽  
Igor Romandic
Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Ab Initio Simulation ◽  
Intrinsic Point Defects ◽  
And Diffusion
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