First-principles study of the structure and stability of oxygen defects in zinc oxide

2005 ◽  
Vol 72 (8) ◽  
Author(s):  
Paul Erhart ◽  
Andreas Klein ◽  
Karsten Albe
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Structure And Stability ◽  
First Principles Study ◽  
Oxygen Defects

Identification of oxygen defects in CdTe revisited: First-principles study

2014 ◽  
Vol 115 (20) ◽  
pp. 203511 ◽  
Author(s):  
J. T-Thienprasert ◽  
T. Watcharatharapong ◽  
I. Fongkaew ◽  
M. H. Du ◽  
D. J. Singh ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Oxygen Defects

First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped

2012 ◽  
Vol 541 ◽  
pp. 250-255 ◽  
Author(s):  
Liang Wu ◽  
Tingjun Hou ◽  
Yi Wang ◽  
Yanfei Zhao ◽  
Zhenyu Guo ◽  
...  
Keyword(s):  
Phase Transition ◽  
Zinc Oxide ◽  
Transition Metal ◽  
First Principles ◽  
Doping Effect ◽  
First Principles Study ◽  
Metal Doped

First principles study on surface structure and stability of alloyed cementite doped with Cr

2013 ◽  
Vol 100 ◽  
pp. 170-172 ◽  
Author(s):  
Yang Gao ◽  
Zhiqing Lv ◽  
Shuhua Sun ◽  
Minggui Qu ◽  
Zhongping Shi ◽  
...  
Keyword(s):  
Surface Structure ◽  
First Principles ◽  
Structure And Stability ◽  
First Principles Study ◽  
Alloyed Cementite

First-principles study of fluorine-doped zinc oxide

2010 ◽  
Vol 97 (12) ◽  
pp. 122101 ◽  
Author(s):  
Bo Liu ◽  
Mu Gu ◽  
Xiaolin Liu ◽  
Shiming Huang ◽  
Chen Ni
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study of zinc oxide honeycomb structures

2009 ◽  
Vol 80 (23) ◽  
Author(s):  
M. Topsakal ◽  
S. Cahangirov ◽  
E. Bekaroglu ◽  
S. Ciraci
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Honeycomb Structures ◽  
First Principles Study
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