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Author:

He, Cheng (He, Cheng.) | Zhang, Wenxue (Zhang, Wenxue.) | Duan, Li (Duan, Li.) | Li, Qingwei (Li, Qingwei.) | Shi, Zhongqi (Shi, Zhongqi.)

Indexed by:

CPCI-S EI Scopus

Abstract:

The geometric structure, band structure and density of state of pure and Ag-N, Ag-2N codoped wurtzite ZnO have been investigated by first-principles ultrasoft pseudopotential method in the generalized gradient approximation. These structures induce fully occupied defect states above the valence-band maximum of bulk ZnO. The calculation results show that the codoped structure Ag-N has better stability. Meanwhile, the carrier concentration is increased in the Ag-2N codoped configuration where the delocalized features are obvious. Our findings suggest that codoping of Ag-2N could efficiently enhance the N dopant solubility and is likely to yield better p-type conductivity.

Keyword:

electronic structures First-principles ZnO

Author Community:

  • [ 1 ] [He, Cheng; Zhang, Wenxue; Shi, Zhongqi] Xi An Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China
  • [ 2 ] [Zhang, Wenxue; Duan, Li] Changan Univ, Sch Mat Sci & Engn, Xian 710064, Peoples R China
  • [ 3 ] [Li, Qingwei] Henan Univ, Key Lab Special Funct Mat, Minist Educ, Kaifeng, Henan, Peoples R China

Reprint Author's Address:

  • Xi An Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.

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Source :

ECO-MATERIALS PROCESSING AND DESIGN XIII

ISSN: 0255-5476

Year: 2012

Volume: 724

Page: 115-+

Language: English

0 . 3 9 9

JCR@2005

JCR Journal Grade:2

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

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