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2013 ◽  
Vol 69 ◽  
pp. 261-266 ◽  
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Shengli Jiang ◽  
Tiecheng Lu ◽  
Jun Chen
Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Ab Initio Study

Point defects at the Σ5(012)[100] grain boundary in TiN and the early stages of Cu diffusion: An ab initio study

2018 ◽  
Vol 144 ◽  
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Author(s):  
Maxim N. Popov ◽  
Anton S. Bochkarev ◽  
Vsevolod I. Razumovskiy ◽  
Peter Puschnig ◽  
Jürgen Spitaler
Keyword(s):  
Grain Boundary ◽  
Ab Initio ◽  
Point Defects ◽  
Ab Initio Study ◽  
Early Stages

scholarly journals Ab initio study of the stability of intrinsic and extrinsic Ag point defects in 3C SiC

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Vol 510 ◽  
pp. 596-602 ◽  
Author(s):  
Nanjun Chen ◽  
Qing Peng ◽  
Zhijie Jiao ◽  
Isabella van Rooyen ◽  
William F. Skerjanc ◽  
...  
Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Ab Initio Study ◽  
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Ab initio study of He point defects in fcc Au–Ag alloys

2013 ◽  
Vol 557 ◽  
pp. 5-10 ◽  
Author(s):  
Z.Q. Zhu ◽  
L. Yang ◽  
J.L. Nie ◽  
S.M. Peng ◽  
X.G. Long ◽  
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Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Ab Initio Study

scholarly journals Ab initio study of point defects near stacking faults in 3C-SiC

2016 ◽  
Vol 123 ◽  
pp. 131-138 ◽  
Author(s):  
Jianqi Xi ◽  
Bin Liu ◽  
Yanwen Zhang ◽  
William J. Weber
Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
Stacking Faults ◽  
Ab Initio Study

Ab initio study of native point defects in ZnO under pressure

2015 ◽  
Vol 201 ◽  
pp. 130-134 ◽  
Author(s):  
Xiaojing Sha ◽  
Fubo Tian ◽  
Da Li ◽  
Defang Duan ◽  
Binhua Chu ◽  
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Keyword(s):  
Ab Initio ◽  
Point Defects ◽  
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Modulation of contact resistance between metal and graphene by controlling the graphene edge, contact area, and point defects: An ab initio study

2014 ◽  
Vol 115 (18) ◽  
pp. 183708 ◽  
Author(s):  
Bo Ma ◽  
Cheng Gong ◽  
Yanwei Wen ◽  
Rong Chen ◽  
Kyeongjae Cho ◽  
...  
Keyword(s):  
Contact Resistance ◽  
Ab Initio ◽  
Point Defects ◽  
Contact Area ◽  
Ab Initio Study ◽  
Edge Contact ◽  
Graphene Edge
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