Bandgap engineering of MoS2/MX2 (MX2 = WS2, MoSe2 and WSe2) heterobilayers subjected to biaxial strain and normal compressive strain

被引：41

作者：

Su, Xiangying ^{[1
]}

Ju, Weiwei ^{[1
]}

Zhang, Ruizhi ^{[2
]}

Guo, Chongfeng ^{[2
]}

Zheng, Jiming ^{[2
]}

Yong, Yongliang ^{[1
]}

Li, Xiaohong ^{[1
]}

机构：

[1] Henan Univ Sci & Technol, Sch Phys & Engn, 263 Kaiyuan Rd, Luoyang 471023, Peoples R China

[2] NW Univ Xian, Nat Key Lab Photoelect Technol & Funct Mat Cultur, Natl Photoelect Technol & Funct Mat & Applicat Sc, Inst Photon & Photon Technol,Dept Phys, Xian 710069, Peoples R China

来源：

RSC ADVANCES | 2016年 / 6卷 / 22期

基金：

中国国家自然科学基金;

关键词：

TRANSITION-METAL DICHALCOGENIDES; TOTAL-ENERGY CALCULATIONS; ELECTRONIC-PROPERTIES; HETEROSTRUCTURES; EXFOLIATION; GRAPHENE; GROWTH; GAP; SE;

D O I：

10.1039/c5ra27871f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Using first-principles calculations, we studied the electronic properties of quasi-2D MoS2/MX2 (MX2 = WS2, MoSe2 and WSe2) heterobilayers, focusing on engineering the band gap via application of in-plane biaxial strain and out-of-plane normal compressive strain (NCS). All heterobilayers show semiconducting characteristics with an indirect band gap except for the MoS2/WSe2 system which exhibits direct band gap character. The band gaps can all be widely tuned through strain and semiconductor-metal transitions can occur. In particular the direct band gap can be tuned and an appropriate compressive strain can tune the direct band gap of MoS2/WSe2 and MoS2/MoSe2, but MoS2/WS2 does not exhibit a direct band gap under any circumstances.

引用

页码：18319 / 18325

页数：7

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