Influence of Vacancy Defect on Surface Feature and Adsorption of Cs on GaN(0001) Surface

被引：8

作者：

Ji, Yanjun ^{[1
]}

Du, Yujie ^{[1
,2
]}

Wang, Meishan ^{[3
]}

机构：

[1] Binzhou Univ, Dept Optoelect Engn, Binzhou 256603, Peoples R China

[2] Nanjing Univ Sci & Technol, Inst Elect Engn & Optoelect Technol, Nanjing 210094, Jiangsu, Peoples R China

[3] Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China

来源：

SCIENTIFIC WORLD JOURNAL | 2014年

基金：

中国国家自然科学基金;

关键词：

1ST-PRINCIPLES CALCULATIONS; ELECTRONIC-STRUCTURE; OPTICAL-PROPERTIES; WURTZITE GAN; NITRIDE; GROWTH;

D O I：

10.1155/2014/490853

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The effects of Ga and N vacancy defect on the change in surface feature, work function, and characteristic of Cs adsorption on a (2 x 2) GaN(0001) surface have been investigated using density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations. The covalent bonds gain strength for Ga vacancy defect, whereas they grow weak for N vacancy defect. The lower work function is achieved for Ga and N vacancy defect surfaces than intact surface. The most stable position of Cs adatom on Ga vacancy defect surface is at T 1 site, whereas it is at B-Ga site on N vacancy defect surface. The E-ads of Cs on GaN(0001) vacancy defect surface increases compared with that of intact surface; this illustrates that the adsorption of Cs on intact surface is more stable.

引用

页数：6

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