Journal
PHYSICS LETTERS A
Volume 384, Issue 7, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2019.126150
Keywords
Heterostructrue; Electronic structure; Optical properties; Vertical strain; External electric field
Categories
Funding
- National Natural Science Foundation of China [61771076, 51604042]
- Scientific Research Fund of Hunan Provincial Education Department [18A140, 18B157]
- graduate innovation program of Changsha University of Science and Technology [CX2018SS19]
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Based on the first-principles method, we investigate the electronic structure of SnC/BAs van der Waals (vdW) heterostructure and find that it has an intrinsic type-II band alignment with a direct band gap of 0.22 eV, which favors the separation of photogenerated electron-hole pairs. The band gap can be effectively modulated by applying vertical strain and external electric field, displaying a large alteration of band gap via the strain and experiencing an indirect-to-direct band gap transition. Moreover, the band gap of the heterostructure varies almost linearly with external electric field, and the semiconductor-to-metal transition can be realized in the presence of a strong electric field. The calculated band alignment and the optical absorption reveal that the SnC/BAs heterostructure could present an excellent light-harvesting performance. Our designed heterostructure is expected to have great potential applications in nanoelectronic devices and photovoltaics and optical properties. (C) 2019 Elsevier B.V. All rights reserved.
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