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：230
|
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
收藏
页码：10062 / 10068
页数：7
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