Oxidization of Al0.5Ga0.5As(001) surface: The electronic properties

被引：8

作者：

Liu, Xiaomin ^{[1
]}

Wei, Zhipeng ^{[1
]}

Liu, Jialin ^{[2
,3
]}

Tan, Wei ^{[1
]}

Fang, Xuan ^{[1
]}

Fang, Dan ^{[1
]}

Wang, Xiaohua ^{[1
]}

Wang, Dengkui ^{[1
]}

Tang, Jilong ^{[1
]}

Fan, Xiaofeng ^{[2
,3
]}

机构：

[1] Changchun Univ Sci & Technol, State Key Lab High Power Semicond Laser, Changchun 130022, Jilin, Peoples R China

[2] Jilin Univ, Minist Educ, Key Lab Automobile Mat, Changchun 130012, Jilin, Peoples R China

[3] Jilin Univ, Coll Mat Sci & Engn, Changchun 130012, Jilin, Peoples R China

来源：

APPLIED SURFACE SCIENCE | 2018年 / 436卷

基金：

中国国家自然科学基金; 国家重点研发计划;

关键词：

Surface oxidization; Fist-principle calculations; AlGaAs materials; Band gap states; OPTICAL-PROPERTIES; ALGAAS; GAP; ABSORPTION; OXYGEN;

D O I：

10.1016/j.apsusc.2017.12.043

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

AlGaAs materials are used in a variety of cutting-edge devices and the band gap states after the surface oxidization is found with Fermi level pinning. With first-principle calculations, we explore the formation of gap states during the initial stage of native-oxide growth on Al0.5Ga0.5As (001) surface. The results indicate that oxygen adsorption at the bridge sites of Al (Ga)-As satisfies the bond saturation and doesn't lead to any effect on the surface gap states. The breaking of As-As dimer results in the defect states in band gap with Fermi level pining due to the replacement of oxygen. In the oxidization process, it is found that the As-As dimer is very easy to be broken. In addition, the defect states in band gap maybe disappear after the full oxidization of surface with the elimination of unsaturated As on surface. With these gap states, some absorption peaks are found to appear in the range of 0-1 eV in the absorption spectra. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：460 / 466

页数：7

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