Effects of Bi on band gap bowing in InP1-xBix alloys

被引：11

作者：

Chen, Xi ^{[1
,2
,3
]}

Shen, Wanting ^{[2
]}

Liang, Dan ^{[2
]}

Quhe, Ruge ^{[4
]}

Wang, Shumin ^{[5
]}

Guan, Pengfei ^{[6
]}

Lu, Pengfei ^{[2
]}

机构：

[1] Beijing Univ Posts & Telecommun, Sch Ethn Minor Educ, Beijing 100876, Peoples R China

[2] Beijing Univ Posts & Telecommun, State Key Lab Informat Photon & Opt Commun, POB 72, Beijing 100876, Peoples R China

[3] Beijing Univ Posts & Telecommun, Beijing Key Lab Space Ground Interconnect & Conve, Beijing 100876, Peoples R China

[4] Beijing Univ Posts & Telecommun, Sch Sci, Beijing 100876, Peoples R China

[5] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China

[6] Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China

来源：

OPTICAL MATERIALS EXPRESS | 2018年 / 8卷 / 05期

基金：

中国国家自然科学基金;

关键词：

TOTAL-ENERGY CALCULATIONS; IMPURITY STATES; V-BI; BISMUTH;

D O I：

10.1364/OME.8.001184

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effects of Bi in InP1-xBix ternary semiconductor alloys are studied based on first-principles. The mBJLDA potential is used to obtain accurate band structures. The band gap is modified mainly by the large Bi atom-induced strain at high concentration. The incorporation of Bi mainly perturbs the valence bands due to the interaction of Bi impurity states with heavy/light hole bands and spin-orbit split off bands. Several different Bi complexes including [100] chain, [111] chain, clustered and SQS in a 128-atom supercell are considered. For random Bi distribution at high concentration, the resulting band structures can be understood together as a work of all Bi complexes arrangements. Measuring band gap narrowing mechanism dependent on configurations as a function of Bi composition can potentially help to distinguish the types of Bi arrangement distributions in samples as well as to promote the applications in mid-infrared regime. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement

引用

页码：1184 / 1192

页数：9

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