Tunable electronic properties of GaS-SnS2 heterostructure by strain and electric field

doi:10.1088/1674-1056/ac3a62

中国物理B ›› 2022, Vol. 31 ›› Issue (4): 47102-047102.doi: 10.1088/1674-1056/ac3a62

Tunable electronic properties of GaS-SnS₂ heterostructure by strain and electric field

Da-Hua Ren(任达华)^1,2,†, Qiang Li(李强)³, Kai Qian(钱楷)³, and Xing-Yi Tan(谭兴毅)⁴

1 School of Information Engineering, Hubei Minzu University, Enshi 44500, China;
2 Science of Physics and Technology, Wuhan University, Wuhan 430072, China;
3 School of Advanced Materials and Mechatronic Engineering, Hubei Minzu University, Enshi 44500, China;
4 Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China

收稿日期:2021-07-09 修回日期:2021-09-30 接受日期:2021-11-17 出版日期:2022-03-16 发布日期:2022-03-29
通讯作者: Da-Hua Ren E-mail:rdh_perfect@163.com
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 1186040026), the Incubation Project for High-Level Scientific Research Achievements of Hubei Minzu University, China (Grant No. 4205009), and the Fund of the Educational Commission of Hubei Province, China (Grant No. T201914).

Tunable electronic properties of GaS-SnS₂ heterostructure by strain and electric field

Da-Hua Ren(任达华)^1,2,†, Qiang Li(李强)³, Kai Qian(钱楷)³, and Xing-Yi Tan(谭兴毅)⁴

1 School of Information Engineering, Hubei Minzu University, Enshi 44500, China;
2 Science of Physics and Technology, Wuhan University, Wuhan 430072, China;
3 School of Advanced Materials and Mechatronic Engineering, Hubei Minzu University, Enshi 44500, China;
4 Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China

Received:2021-07-09 Revised:2021-09-30 Accepted:2021-11-17 Online:2022-03-16 Published:2022-03-29
Contact: Da-Hua Ren E-mail:rdh_perfect@163.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 1186040026), the Incubation Project for High-Level Scientific Research Achievements of Hubei Minzu University, China (Grant No. 4205009), and the Fund of the Educational Commission of Hubei Province, China (Grant No. T201914).

摘要/Abstract

摘要： Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties. In this work, we study the structural, electronic, and optical properties of vertically stacked GaS-SnS₂ heterostructure under the frame of density functional theory. We find that the stacked GaS-SnS₂ heterostructure is a semiconductor with a suitable indirect band gap of 1.82 eV, exhibiting a type-II band alignment for easily separating the photo-generated carriers. The electronic properties of GaS-SnS₂ heterostructure can be effectively tuned by an external strain and electric field. The optical absorption of GaS-SnS₂ heterostructure is more enhanced than those of the GaS monolayer and SnS₂ monolayer in the visible light region. Our results suggest that the GaS-SnS₂ heterostructure is a promising candidate for the photocatalyst and photoelectronic devices in the visible light region.

关键词: GaS-SnS₂ heterostructure, type-II band alignment, optical properties, density functional theory

Abstract: Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties. In this work, we study the structural, electronic, and optical properties of vertically stacked GaS-SnS₂ heterostructure under the frame of density functional theory. We find that the stacked GaS-SnS₂ heterostructure is a semiconductor with a suitable indirect band gap of 1.82 eV, exhibiting a type-II band alignment for easily separating the photo-generated carriers. The electronic properties of GaS-SnS₂ heterostructure can be effectively tuned by an external strain and electric field. The optical absorption of GaS-SnS₂ heterostructure is more enhanced than those of the GaS monolayer and SnS₂ monolayer in the visible light region. Our results suggest that the GaS-SnS₂ heterostructure is a promising candidate for the photocatalyst and photoelectronic devices in the visible light region.

Key words: GaS-SnS₂ heterostructure, type-II band alignment, optical properties, density functional theory

中图分类号: (Density functional theory, local density approximation, gradient and other corrections)

71.15.Mb

74.78.Fk (Multilayers, superlattices, heterostructures) 78.67.-n (Optical properties of low-dimensional, mesoscopic, and nanoscale materials and structures)

Da-Hua Ren(任达华), Qiang Li(李强), Kai Qian(钱楷), and Xing-Yi Tan(谭兴毅). Tunable electronic properties of GaS-SnS₂ heterostructure by strain and electric field[J]. 中国物理B, 2022, 31(4): 47102-047102.

Da-Hua Ren(任达华), Qiang Li(李强), Kai Qian(钱楷), and Xing-Yi Tan(谭兴毅). Tunable electronic properties of GaS-SnS₂ heterostructure by strain and electric field[J]. Chin. Phys. B, 2022, 31(4): 47102-047102.

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Tunable electronic properties of GaS-SnS₂ heterostructure by strain and electric field

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