Two-dimensional IV-VI materials with in-plane negative Poisson's ratio and anisotropic carrier mobility

被引：37

作者：

Jing, Tao ^{[1
]}

Liang, Dongmei ^{[1
]}

Deng, Mingsen ^{[2
,3
]}

Cai, Shaohong ^{[3
]}

机构：

[1] Kaili Univ, Coll Sci, Kaili 556011, Peoples R China

[2] Guizhou Educ Univ, Appl Phys Inst, Guizhou Prov Key Lab Computat Nanomat Sci, Guiyang 550018, Peoples R China

[3] Guizhou Univ Finance & Econ, Guizhou Key Lab Econ Syst Simulat, Guiyang 550004, Peoples R China

来源：

JOURNAL OF MATERIALS CHEMISTRY C | 2020年 / 8卷 / 30期

基金：

中国国家自然科学基金;

关键词：

BAND-GAP; ELECTRONIC-STRUCTURE; 2D SEMICONDUCTOR; MONOLAYER; PHOTOCATALYST; PHOSPHORENE; STRAIN; WATER;

D O I：

10.1039/d0tc02415e

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Two-dimensional (2D) semiconductors with novel mechanical behaviors and electronic features are highly sought for a variety of potential applications. In this paper, by means of first-principles theory we study the mechanical and electronic properties of 2D IV-VI materials in detail, including SiS, SiSe, and Si2SSe. We reveal that the large values of negative Poisson's ratio (NPR) make these monolayers promising candidates for auxetic materials. Specifically, the in-plane NPR value of SiS monolayers reaches up to -0.19 in thexdirection. In addition, the electrons in SiS monolayers have remarkably high mobility in thexdirection, while the holes prefer to conduct in theydirection. Furthermore, under biaxial strain, the bandgaps of all these monolayers can be tuned effectively with ranges over 1.2 eV. All these appealing properties make SiS monolayers promising candidates for nanomechanic and optoelectronic applications.

引用

页码：10382 / 10389

页数：8

共 45 条

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