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Author:

Du, Yuxuan (Du, Yuxuan.) | Liu, Huan (Liu, Huan.) | Hu, Jiaxin (Hu, Jiaxin.) | Deng, Lier (Deng, Lier.) | Bai, Yang (Bai, Yang.) | Bai, Minyu (Bai, Minyu.) | Xie, Fei (Xie, Fei.)

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Abstract:

MoSe2 and Bi2Se3 are two kinds of 2D materials that are gradually receiving more attention because of their unique electronic and optical properties. Herein, a Bi2Se3/MoSe2 van der Waals heterojunction (vdWH) is constructed and the electronic and optical properties of the heterojunction are calculated using first-principles calculations. The effects of the external electric field and the interlayer distance on the electronic properties of the heterojunction are also studied. The calculated results show that the inherent Bi2Se3/MoSe2 vdWH has a type-2 band alignment with a very small indirect bandgap (28 meV). It also has strong spin-orbit coupling effects, and the characteristics of Zeeman splitting and Rashba splitting are observed at the same time. Both applying an external electric field and changing the interlayer distance can effectively modulate the band structure of the heterojunction; these modulation methods can change the band alignment of the vdWH from type-2 to type-3 or even type-1, and the bandgap type can be changed from indirect to direct. The infrared absorption of the heterojunction is much higher than that of Bi2Se3 and MoSe2. All the calculation results show that the Bi2Se3/MoSe2 vdWH has good application prospects in optoelectronic and spintronic devices.

Keyword:

2D materials Bi2Se3 electronic properties first-principles calculations MoSe2 heterojunction optical properties

Author Community:

  • [ 1 ] [Du, Yuxuan]Xian Technol Univ, Sch Armament Sci & Technol, Xian 710049, Shaanxi, Peoples R China
  • [ 2 ] [Liu, Huan]Xian Technol Univ, Sch Armament Sci & Technol, Xian 710049, Shaanxi, Peoples R China
  • [ 3 ] [Deng, Lier]Xian Technol Univ, Sch Armament Sci & Technol, Xian 710049, Shaanxi, Peoples R China
  • [ 4 ] [Bai, Yang]Xian Technol Univ, Sch Armament Sci & Technol, Xian 710049, Shaanxi, Peoples R China
  • [ 5 ] [Bai, Minyu]Xian Technol Univ, Sch Armament Sci & Technol, Xian 710049, Shaanxi, Peoples R China
  • [ 6 ] [Xie, Fei]Xian Technol Univ, Sch Armament Sci & Technol, Xian 710049, Shaanxi, Peoples R China
  • [ 7 ] [Hu, Jiaxin]Xi An Jiao Tong Univ, Sch Elect & Informat Engn, Elect Mat Res Lab, Int Ctr Dielect Res,Key Lab,Minist Educ, Xian 710049, Shaanxi, Peoples R China

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Source :

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

ISSN: 0370-1972

Year: 2021

Issue: 12

Volume: 258

1 . 7 1 0

JCR@2020

ESI Discipline: PHYSICS;

ESI HC Threshold:26

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count: 5

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 8

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