Tuning the indirect-direct band gap transition of SiC, GeC and SnC monolayer in a graphene-like honeycomb structure by strain engineering: a quasiparticle GW study

被引：231

作者：

Lu, Tie-Yu ^{[1
,2
]}

Liao, Xia-Xia ^{[1
,2
]}

Wang, Hui-Qiong ^{[1
,2
,3
]}

Zheng, Jin-Cheng ^{[1
,2
,4
]}

机构：

[1] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China

[2] Xiamen Univ, Inst Theoret Phys & Astrophys, Xiamen 361005, Peoples R China

[3] Xiamen Univ, Fujian Key Lab Semicond Mat & Applicat, Xiamen 361005, Peoples R China

[4] Xiamen Univ, Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Peoples R China

来源：

JOURNAL OF MATERIALS CHEMISTRY | 2012年 / 22卷 / 19期

关键词：

SEMICONDUCTORS; ENERGIES; DESIGN;

D O I：

10.1039/c2jm30915g

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：

We have calculated the electronic properties of graphene and SiC, GeC and SnC monolayers in a two-dimensional graphene-like honeycomb structure under various strained conditions using first principles calculations based on density functional theory and the quasiparticle GW approximation. Our results show that the indirect-direct band gap transition of group-IV carbides can be tuned by strain, which indicates a possible new route for tailoring the electronic properties of ultrathin nanofilms through strain engineering.

引用

页码：10062 / 10068

页数：7

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