Effect of biaxial strain and external electric field on electronic properties of MoS2 monolayer: A first-principle study

被引：56

作者：

Nguyen, Chuong V. ^{[1
,2
]}

Hieu, Nguyen N. ^{[1
]}

机构：

[1] Duy Tan Univ, Inst Res & Dev, Da Nang, Vietnam

[2] Le Quy Don Tech Univ, Sch Mech Engn, Hanoi, Vietnam

来源：

CHEMICAL PHYSICS | 2016年 / 468卷

关键词：

Molybdenum disulfide; Band structure; Dispersion-corrected density functional theory; Uniaxial strain; Electric field; TRANSITION-METAL DICHALCOGENIDES; MOLYBDENUM-DISULFIDE; OPTICAL-PROPERTIES; LAYER MOS2; GRAPHENE; NANORIBBONS; ADSORPTION; DEFECTS;

D O I：

10.1016/j.chemphys.2016.01.009

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：

In this work, making use of density functional theory (DFT) computations, we systematically investigate the effect of biaxial strain engineering and external electric field applied perpendicular to the layers on the band gaps and electronic properties of monolayer MoS2. The direct-to-indirect band gaps and semiconductor-to-metal transition are observed in monolayer MoS2 when strain and electric field are applied in our calculation. We show that when the biaxial strain and external electric field are introduced, the electronic properties including band gaps of monolayer MoS2 can be reduced to zero. Our results provide many useful insights for the wide applications of monolayer MoS2 in electronics and optoelectronics. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：9 / 14

页数：6

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