First-principles studies on the dominant acceptor and the activation mechanism of phosphorus-doped ZnO

2011 ◽  
Vol 99 (11) ◽  
pp. 111902 ◽  
Author(s):  
Ping Li ◽  
Sheng-Hua Deng ◽  
Jing Huang
Keyword(s):  
First Principles ◽  
Activation Mechanism ◽  
Doped Zno ◽  
Phosphorus Doped ◽  
Dominant Acceptor

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 calculations on magnetic property of Cu-doped ZnO tuned by Na and Al dopants

Rare Metals ◽  
2013 ◽  
Vol 34 (1) ◽  
pp. 40-44
Author(s):  
Yan-Kai Wang ◽  
Xiao-Guang Xu ◽  
Hai-Ling Yang ◽  
Cong-Jun Ran ◽  
Yong Jiang
Keyword(s):  
Magnetic Property ◽  
First Principles ◽  
First Principles Calculations ◽  
Doped Zno

Magnetism in transition-metal-doped ZnO: A first-principles study

2012 ◽  
Vol 112 (2) ◽  
pp. 023913 ◽  
Author(s):  
Gangxu Gu ◽  
Gang Xiang ◽  
Jia Luo ◽  
Hongtao Ren ◽  
Mu Lan ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Doped Zno ◽  
Metal Doped

Tunable UV Absorption and Mobility of Yttrium-Doped ZnO using First-Principles Calculations

2012 ◽  
Vol 29 (11) ◽  
pp. 117101 ◽  
Author(s):  
Li-Na Bai ◽  
Hai-Ming Sun ◽  
Jian-She Lian ◽  
Qing Jiang
Keyword(s):  
First Principles ◽  
Uv Absorption ◽  
First Principles Calculations ◽  
Doped Zno

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

Study on Electronic Structure and Optical Properties of S-doped ZnO Using First-Principles

2014 ◽  
Vol 51 (7) ◽  
pp. 071604
Author(s):  
韩伟超 Han Weichao ◽  
张颂 Zhang Song ◽  
段光杰 Duan Guangjie ◽  
李明军 Li Mingjun ◽  
黄连帅 Huang Lianshuai ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Doped Zno

scholarly journals First-principles study of CO and OH adsorption on in-doped ZnO surfaces

2019 ◽  
Vol 132 ◽  
pp. 172-181 ◽  
Author(s):  
R. Saniz ◽  
N. Sarmadian ◽  
B. Partoens ◽  
M. Batuk ◽  
J. Hadermann ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Doped Zno
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