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2013 ◽  
Vol 63 (11) ◽  
pp. 2170-2174 ◽  
Author(s):  
Eun-Cheol Lee
Keyword(s):  
First Principles ◽  
Magnetic Interactions ◽  
Native Defects ◽  
First Principles Study

First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure

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Vol 123 (16) ◽  
pp. 161504 ◽  
Author(s):  
Fubao Zheng ◽  
Qinfang Zhang ◽  
Qiangqiang Meng ◽  
Baolin Wang ◽  
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...  
Keyword(s):  
Surface Structure ◽  
First Principles ◽  
Native Defects ◽  
First Principles Study

First-principles study of native defects in anataseTiO2

2006 ◽  
Vol 73 (12) ◽  
Author(s):  
Sutassana Na-Phattalung ◽  
M. F. Smith ◽  
Kwiseon Kim ◽  
Mao-Hua Du ◽  
Su-Huai Wei ◽  
...  
Keyword(s):  
First Principles ◽  
Native Defects ◽  
First Principles Study

First principles study of native defects in a graphitic BC2N monolayer

2010 ◽  
Vol 518 (15) ◽  
pp. 4356-4362 ◽  
Author(s):  
R.C. Barbosa ◽  
P.S. Guimarães ◽  
R.J. Baierle
Keyword(s):  
First Principles ◽  
Native Defects ◽  
First Principles Study

Tailoring Native Defects and Zinc Impurities in Li4Ti5O12: Insights from First-Principles Study

2015 ◽  
Vol 119 (9) ◽  
pp. 5238-5245 ◽  
Author(s):  
Huan Duan ◽  
Jia Li ◽  
Hongda Du ◽  
Sum Wai Chiang ◽  
Chengjun Xu ◽  
...  
Keyword(s):  
First Principles ◽  
Native Defects ◽  
First Principles Study

First-principles study of native defects inCdGeAs2

2008 ◽  
Vol 78 (8) ◽  
Author(s):  
Tula R. Paudel ◽  
Walter R. L. Lambrecht
Keyword(s):  
First Principles ◽  
Native Defects ◽  
First Principles Study
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