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The Strain and Electric Field Effects on the Electronic and Optical Properties of Armchair MoSSe/WSSe Superlattice Nanoribbon: A First‐Principles Study
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.6 ) Pub Date : 2020-10-21 , DOI: 10.1002/pssb.202000361
Lingling Yu 1 , Wenyu Guo 1 , Shoutian Sun 1 , Xiang Ye 1
Affiliation  

The electronic and optical properties of armchair Janus MoSSe/WSSe superlattice nanoribbons (A‐JSLNRs) under strain and electric field are studied by first‐principles calculations. The bandgap of A‐JSLNRs can be dramatically modulated by axial strain and transverse electric field. The optical absorption edge shows an obvious red‐shift trend with the increasing strain, and the absorption peak for the visible light will be enhanced significantly as strain decreases from 8% to −8%. The general rule for the change of the bandgap and the optical absorption tuned by strain is explained well according to the different changes of near‐band‐edge states. Moreover, the transverse electric field will induce a semiconductor–metal transition to the A‐JSLNRs. Based on the results, the electronic bandgap and optical properties of A‐JSLNRs shows sensitivity to the applied strain and external electric field, which can be used to effectively tune the properties of A‐JSLNRs to make them suitable for optoelectronic applications.

中文翻译:

应变和电场对扶手椅MoSSe / WSSe超晶格纳米带的电子和光学性质的影响:第一性原理研究

通过第一性原理计算研究了扶手椅Janus MoSSe / WSSe超晶格纳米带(A‐JSLNRs)在应变和电场下的电子和光学性质。A‐JSLNRs的带隙可以通过轴向应变和横向电场来显着调节。随着应变的增加,光吸收边缘显示出明显的红移趋势,并且随着应变从8%降低到-8%,可见光的吸收峰将显着增强。根据近带边缘状态的不同变化,很好地解释了带隙变化和由应变调整的光吸收的一般规则。此外,横向电场将引起半导体-金属过渡到A-JSLNRs。根据结果​​,
更新日期:2020-10-21
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