中国物理B ›› 2024, Vol. 33 ›› Issue (9): 96302-096302.doi: 10.1088/1674-1056/ad6077

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Strain-tuned electronic and valley-related properties in Janus monolayers of SWSiX2 (X = N, P, As)

Yunxi Qi(戚云西)1, Jun Zhao(赵俊)1,†, and Hui Zeng(曾晖)2,‡   

  1. 1 New Energy Technology Engineering Laboratory of Jiangsu Province & School of Science, Nanjing University of Posts and Telecommunications, Nanjing 210023, China;
    2 School of Microelectronics, Nanjing University of Science and Technology, Nanjing 210094, China
  • 收稿日期:2024-03-07 修回日期:2024-05-27 接受日期:2024-07-09 发布日期:2024-08-22
  • 通讯作者: Jun Zhao, Hui Zeng E-mail:zhaojun@njupt.edu.cn;zenghui@njust.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 62174088 and 62371238).

Strain-tuned electronic and valley-related properties in Janus monolayers of SWSiX2 (X = N, P, As)

Yunxi Qi(戚云西)1, Jun Zhao(赵俊)1,†, and Hui Zeng(曾晖)2,‡   

  1. 1 New Energy Technology Engineering Laboratory of Jiangsu Province & School of Science, Nanjing University of Posts and Telecommunications, Nanjing 210023, China;
    2 School of Microelectronics, Nanjing University of Science and Technology, Nanjing 210094, China
  • Received:2024-03-07 Revised:2024-05-27 Accepted:2024-07-09 Published:2024-08-22
  • Contact: Jun Zhao, Hui Zeng E-mail:zhaojun@njupt.edu.cn;zenghui@njust.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 62174088 and 62371238).

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摘要： Exploring novel two-dimensional (2D) valleytronic materials has an essential impact on the design of spintronic and valleytronic devices. Our first principles calculation results reveal that the Janus SWSi$X_{2}$ ($X = {\rm N}$, P, As) monolayer has excellent dynamical and thermal stability. Owing to strong spin-orbit coupling (SOC), the SWSi$X_{2}$ monolayer exhibits a valence band spin splitting of up to 0.49 eV, making it promising 2D semiconductor for valleytronic applications. The opposite Berry curvatures and optical selection rules lead to the coexistence of valley and spin Hall effects in the SWSi$X_{2}$ monolayer. Moreover, the optical transition energies can be remarkably modulated by the in-plane strains. Large tensile (compressive) in-plane strains can achieve spin flipping in the SWSiN$_{2}$ monolayer, and induce both SWSiP$_{2}$ and SWSiAs$_{2}$ monolayers transit from semiconductor to metal. Our research provides new 2D semiconductor candidates for designing high-performance valleytronic devices.

关键词: first-principles calculations, two-dimensional, valleytronic, spintronic

Abstract: Exploring novel two-dimensional (2D) valleytronic materials has an essential impact on the design of spintronic and valleytronic devices. Our first principles calculation results reveal that the Janus SWSi$X_{2}$ ($X = {\rm N}$, P, As) monolayer has excellent dynamical and thermal stability. Owing to strong spin-orbit coupling (SOC), the SWSi$X_{2}$ monolayer exhibits a valence band spin splitting of up to 0.49 eV, making it promising 2D semiconductor for valleytronic applications. The opposite Berry curvatures and optical selection rules lead to the coexistence of valley and spin Hall effects in the SWSi$X_{2}$ monolayer. Moreover, the optical transition energies can be remarkably modulated by the in-plane strains. Large tensile (compressive) in-plane strains can achieve spin flipping in the SWSiN$_{2}$ monolayer, and induce both SWSiP$_{2}$ and SWSiAs$_{2}$ monolayers transit from semiconductor to metal. Our research provides new 2D semiconductor candidates for designing high-performance valleytronic devices.

Key words: first-principles calculations, two-dimensional, valleytronic, spintronic

中图分类号:  (First-principles theory)

  • 63.20.dk
68.35.-p (Solid surfaces and solid-solid interfaces: structure and energetics) 72.25.Dc (Spin polarized transport in semiconductors) 73.63.-b (Electronic transport in nanoscale materials and structures)