scholarly journals Photoelectric properties of Ti doped ZnO: First principles calculation

2016 ◽  
Vol 65 (15) ◽  
pp. 157201
Author(s):  
Qu Ling-Feng ◽  
Hou Qing-Yu ◽  
Xu Zhen-Chao ◽  
Zhao Chun-Wang
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Photoelectric Properties ◽  
Doped Zno

First-principles calculation of (Al,Ga) co-doped ZnO

2019 ◽  
Vol 21 ◽  
pp. e00426 ◽  
Author(s):  
M. Khuili ◽  
G. El Hallani ◽  
N. Fazouan ◽  
H. Abou El Makarim ◽  
E.H. Atmani
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Doped Zno ◽  
Co Doped

First-Principles Calculation of Electronic Structure and Optical Properties of Sb-Doped ZnO

2008 ◽  
Vol 25 (10) ◽  
pp. 3735-3738 ◽  
Author(s):  
Zhang Fu-Chun ◽  
Zhang Zhi-Yong ◽  
Zhang Wei-Hu ◽  
Yan Jun-Feng ◽  
Yun Jiang-Ni
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculation ◽  
Doped Zno

Ferromagnetism properties of Er-doped ZnO: a GGA + U study

RSC Advances ◽  
2016 ◽  
Vol 6 (109) ◽  
pp. 107865-107870 ◽  
Author(s):  
Sanjun Wang ◽  
Xiaobo Shi ◽  
Jinming Li
Keyword(s):  
Magnetic Moment ◽  
First Principles ◽  
Room Temperature ◽  
Room Temperature Ferromagnetism ◽  
First Principles Calculation ◽  
Doped Zno ◽  
Er Doped ◽  
Zn Vacancy

Our first-principles calculation finds that only the Zn vacancy can induce a 1.0 μB magnetic moment in Er-doped ZnO, which comes from the unpaired 2p electrons at the ligand O atom and results in the room-temperature ferromagnetism property of ZnO.

Effect of intrinsic vacancies on the ferromagnetism of V-doped ZnO based on first-principles calculation

2010 ◽  
Vol 247 (9) ◽  
pp. 2185-2189 ◽  
Author(s):  
Wei Yu ◽  
Hongfei Liu ◽  
Li Zhang ◽  
Huixia Gao ◽  
Guangsheng Fu
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Doped Zno

scholarly journals Effect of Yb concentration on the structural, magnetic and optoelectronic properties of Yb doped ZnO: first principles calculation

2021 ◽  
Vol 53 (12) ◽  
Author(s):  
Mohamed Achehboune ◽  
Mohammed Khenfouch ◽  
Issam Boukhoubza ◽  
Issam Derkaoui ◽  
Bakang Moses Mothudi ◽  
...  
Keyword(s):  
First Principles ◽  
Optoelectronic Properties ◽  
First Principles Calculation ◽  
Doped Zno

Ferromagnetism in phosphorus-doped ZnO: First-principles calculation

2010 ◽  
Vol 374 (4) ◽  
pp. 628-631 ◽  
Author(s):  
Kai Li ◽  
Yu Yan ◽  
Hongxia Wang ◽  
Qing Zhan ◽  
Y.Sh. Mohammed ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Doped Zno ◽  
Phosphorus Doped

First Principles Calculation on the Photoelectric Properties of V-Al co-Doped CrSi2

2014 ◽  
Vol 34 (4) ◽  
pp. 0416002
Author(s):  
闫万珺 Yan Wanjun ◽  
张忠政 Zhang Zhongzheng ◽  
郭笑天 Guo Xioatian ◽  
桂放 Gui Fang ◽  
谢泉 Xie Quan ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Photoelectric Properties ◽  
Co Doped
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