Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2

被引：605

作者：

Scalise, Emilio ^{[1
]}

Houssa, Michel ^{[1
]}

Pourtois, Geoffrey ^{[2
]}

Afanas'ev, Valery V. ^{[1
]}

Stesmans, Andre ^{[1
]}

机构：

[1] Univ Louvain, Dept Phys & Astron, Semicond Phys Lab, B-3001 Louvain, Belgium

[2] Univ Antwerp, Dept Chem, B-2610 Antwerp, Belgium

来源：

NANO RESEARCH | 2012年 / 5卷 / 01期

关键词：

MoS2; quasi-2D chalcogenide materials; first-principles modeling; strain-induced semiconductor to metal transition;

D O I：

10.1007/s12274-011-0183-0

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：

The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS2) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS2, the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS2.

引用

页码：43 / 48

页数：6

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