Comparative first principles study of ZnO doped with group III elements

2016 ◽  
Vol 688 ◽  
pp. 368-375 ◽  
Author(s):  
Mohamed Khuili ◽  
Nejma Fazouan ◽  
Hassna Abou El Makarim ◽  
Ghizlane El Halani ◽  
El Houssine Atmani
Keyword(s):  
First Principles ◽  
Group Iii ◽  
First Principles Study

Adsorption of gas molecules on group III atoms adsorbed g-C3N4: A first-principles study

Vacuum ◽  
2020 ◽  
Vol 175 ◽  
pp. 109293 ◽  
Author(s):  
Kaifei Bai ◽  
Zhen Cui ◽  
Enling Li ◽  
Yingchun Ding ◽  
Jiangshan Zheng ◽  
...  
Keyword(s):  
First Principles ◽  
Group Iii ◽  
First Principles Study ◽  
Gas Molecules

Point defects in group III nitrides: A comparative first-principles study

2019 ◽  
Vol 125 (21) ◽  
pp. 215705 ◽  
Author(s):  
Yinlu Gao ◽  
Dan Sun ◽  
Xue Jiang ◽  
Jijun Zhao
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Group Iii Nitrides ◽  
Group Iii ◽  
First Principles Study

Group III dopant segregation and semiconductor-to-metal transition in ZnO nanowires: a first principles study

RSC Advances ◽  
2013 ◽  
Vol 3 (43) ◽  
pp. 19793 ◽  
Author(s):  
Maojie Xu ◽  
Yaozhong Zhang ◽  
Liangming Wei ◽  
Jing Zhang ◽  
Bingjian Qian ◽  
...  
Keyword(s):  
First Principles ◽  
Zno Nanowires ◽  
Dopant Segregation ◽  
Group Iii ◽  
First Principles Study

Dynamics and polarization of group-III nitride lattices: A first-principles study

2000 ◽  
Vol 62 (12) ◽  
pp. 8003-8011 ◽  
Author(s):  
F. Bechstedt ◽  
Ulrike Grossner ◽  
J. Furthmüller
Keyword(s):  
First Principles ◽  
Group Iii ◽  
First Principles Study ◽  
Group Iii Nitride

First-principles study of group III impurity doped PbSe: Bulk and nanowire

2013 ◽  
Vol 87 (8) ◽  
Author(s):  
E. O. Wrasse ◽  
R. J. Baierle ◽  
A. Fazzio ◽  
T. M. Schmidt
Keyword(s):  
First Principles ◽  
Group Iii ◽  
First Principles Study ◽  
Impurity Doped
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