The electronic and magnetic properties with intrinsic defects in ZnO nanosheets: First-principles prediction

2013 ◽  
Vol 13 (4) ◽  
pp. 799-802 ◽  
Author(s):  
Fu-Bao Zheng ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang ◽  
Hang-Xing Luan
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Intrinsic Defects ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets

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.

Electronic and magnetic properties of BiFeO 3 with intrinsic defects: First-principles prediction

2014 ◽  
Vol 23 (6) ◽  
pp. 067102 ◽  
Author(s):  
Rui-Peng Yang ◽  
Si-Xian Lin ◽  
Xiao-Gong Fang ◽  
Ming-Hui Qin ◽  
Xing-Sen Gao ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Intrinsic Defects ◽  
Electronic And Magnetic Properties

The electronic and magnetic properties of (Mn,N)-codoped ZnO from first principles

2010 ◽  
Vol 108 (11) ◽  
pp. 113924 ◽  
Author(s):  
L. Zhao ◽  
P. F. Lu ◽  
Z. Y. Yu ◽  
X. T. Guo ◽  
Y. Shen ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Electronic And Magnetic Properties
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