InN doped with Zn: Bulk and surface investigation from first principles

被引：5
作者：
Wang, Jianli [2 ]
Tang, Gang [2 ]
Wu, X. S. [1 ]
Gu, Mingqiang [1 ]
机构：
[1] Nanjing Univ, Nanjing Natl Lab Microstruct, Lab Solid State Microstruct, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China
[2] China Univ Min & Technol, Coll Sci, Xuzhou 221116, Peoples R China
来源：
SOLID STATE COMMUNICATIONS | 2012年 / 152卷 / 13期
关键词：
Semiconductors; Surfaces and interfaces; Point defects; STRUCTURAL-PROPERTIES; INN(0001) SURFACE; MG; PSEUDOPOTENTIALS; 1ST-PRINCIPLES; ADSORPTION; CONSTANTS; ALN; GAN;
D O I：
10.1016/j.ssc.2012.03.036
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Structures and stabilities of Zn adsorption and incorporation at InN surfaces are systematically investigated by first-principles calculations. An InN (0001)-(2 x 2) surface covered by 3/4 monolayer Zn adsorption atoms at the H-3 sites is found to be energetically favorable. The calculated surface energies demonstrate the stability of Zn-incorporated surfaces. Substitutional defects may act as a potential source for the bulk and surface p-type behavior in Zn-doped InN. (C) 2012 Elsevier Ltd. All rights reserved.
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收藏
页码：1168 / 1171
页数：4
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