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

共 23 条

[11] Can silicon behave like graphene? A first-principles study [J].

Houssa, M. ;

Pourtois, G. ;

Afanas'ev, V. V. ;

Stesmans, A. .

APPLIED PHYSICS LETTERS, 2010, 97 (11)

[12] Electronic properties of two-dimensional hexagonal germanium [J].

Houssa, M. ;

Pourtois, G. ;

Afanas'ev, V. V. ;

Stesmans, A. .

APPLIED PHYSICS LETTERS, 2010, 96 (08)

[13]

KAM KK, 1982, J PHYS CHEM-US, V86, P463, DOI 10.1021/j100393a010

[14] Electronic structure of two-dimensional crystals from ab initio theory [J].

Lebegue, S. ;

Eriksson, O. .

PHYSICAL REVIEW B, 2009, 79 (11)

[15] Electronic properties of MOS2 nanoparticles [J].

Li, Tianshu ;

Galli, Giulia .

JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (44) :16192-16196

[16] Electronic and elastic properties of MoS2 [J].

Li Wei ;

Chen Jun-fang ;

He Qinyu ;

Wang Teng .

PHYSICA B-CONDENSED MATTER, 2010, 405 (10) :2498-2502

[17] Atomically Thin MoS2: A New Direct-Gap Semiconductor [J].

Mak, Kin Fai ;

Lee, Changgu ;

Hone, James ;

Shan, Jie ;

Heinz, Tony F. .

PHYSICAL REVIEW LETTERS, 2010, 105 (13)

[18] Two-dimensional atomic crystals [J].

Novoselov, KS ;

Jiang, D ;

Schedin, F ;

Booth, TJ ;

Khotkevich, VV ;

Morozov, SV ;

Geim, AK .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (30) :10451-10453

[19]

Perdew JP, 1997, PHYS REV LETT, V78, P1396, DOI 10.1103/PhysRevLett.77.3865

[20] Single-layer MoS2 transistors [J].

Radisavljevic, B. ;

Radenovic, A. ;

Brivio, J. ;

Giacometti, V. ;

Kis, A. .

NATURE NANOTECHNOLOGY, 2011, 6 (03) :147-150

← 1 2 3 →