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Effect of stacking order and in-plane strain on the electronic properties of bilayer GeSe

文献类型：期刊论文

作者Mao, Yuliang1; Xu, Congshen1; Yuan, Jianmei2; Zhao, Hongquan3
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
出版日期2018-03-14
卷号20期号:10页码:6929-6935
ISSN号1463-9076
DOI10.1039/c7cp07993a
英文摘要Germanium selenide as a new layered material is promising for nanoelectronic applications due to its unique optoelectronic properties and tunable band gap. In this study, based on density functional theory, we systematically investigated the structure, stability, and electronic properties of bilayer germanium selenide with four different stacking orders (namely AA-, AB-, AC- and AD-stacking). The obtained results indicated that the band gap is dependent on the stacking order with an indirect band gap for AA-and AC-stacking and direct band gap for AB-and AD-stacking. In addition, we also found that the band gap of the GeSe bilayer with different stacking orders can be tuned by in-plane strain. The transition between the direct to indirect band gap or semiconductor to metal is tunable. In particular, the direct band gap of the AB-stacking germanium selenide bilayer can be tuned in a wide energy range under applied strain along the armchair direction.
资助项目National Natural Science Foundation of China[11471280] ; National Natural Science Foundation of China[11374251] ; National Natural Science Foundation of China[61775214] ; Hunan Provincial Natural Science Foundation of China[2016JJ2130] ; Research Foundation of Education Bureau of Hunan Province, China[16A207] ; Research Foundation of Education Bureau of Hunan Province, China[17A207] ; Program for Changjiang Scholars and Innovative Research Team in University[IRT13093] ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000429286100016
出版者ROYAL SOC CHEMISTRY
源URL[http://119.78.100.138/handle/2HOD01W0/6289]  
专题量子信息技术研究中心
通讯作者Mao, Yuliang
作者单位1.Xiangtan Univ, Sch Phys & Optoelect, Hunan Key Lab Micronano Energy Mat & Devices, Xiangtan 411105, Hunan, Peoples R China
2.Xiangtan Univ, Sch Math & Computat Sci, Hunan Key Lab Computat & Simulat Sci & Engn, Xiangtan 411105, Hunan, Peoples R China
3.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, 266 Fangzheng Ave, Chongqing, Peoples R China
推荐引用方式
GB/T 7714		 Mao, Yuliang,Xu, Congshen,Yuan, Jianmei,et al. Effect of stacking order and in-plane strain on the electronic properties of bilayer GeSe[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(10):6929-6935.
APA Mao, Yuliang,Xu, Congshen,Yuan, Jianmei,&Zhao, Hongquan.(2018).Effect of stacking order and in-plane strain on the electronic properties of bilayer GeSe.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(10),6929-6935.
MLA Mao, Yuliang,et al."Effect of stacking order and in-plane strain on the electronic properties of bilayer GeSe".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.10(2018):6929-6935.

入库方式： OAI收割

来源：重庆绿色智能技术研究院

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