Journal of Liaoning Petrochemical University

Journal of Liaoning Petrochemical University ›› 2024, Vol. 44 ›› Issue (1): 35-42.DOI: 10.12422/j.issn.1672-6952.2024.01.006

• Material Science and New Energy • Previous Articles     Next Articles

Theoretical Study on Raman Spectra of Janus MoSSe Single⁃Layer under Bi⁃Axial Strain

Wei SUN(), Hongzhi SUN, Bo ZHAO, Huaihong GUO()   

  1. College of Sciences,Liaoning Petrochemical University,Fushun Liaoning 113001,China
  • Received:2023-03-21 Revised:2023-04-30 Online:2024-02-25 Published:2024-02-07
  • Contact: Huaihong GUO


孙薇(), 孙鸿智, 赵波, 郭怀红()   

  1. 辽宁石油化工大学 理学院,辽宁 抚顺 113001
  • 通讯作者: 郭怀红
  • 作者简介:孙薇(1996⁃),女,硕士研究生,从事低维材料物性方面的研究;E⁃
  • 基金资助:


Monolayer Janus transition metal disulfides have low dimension, high mobility, and peculiar electronic structure properties, which have potential applications in electronics and optoelectronic devices. In devices made of monolayer Janus transition metal disulfide and substrate materials,are usually stressed due to lattice mismatch between monolayer Janus transition metal disulfides and substrate, it is significant to study the strain effect on physical properties of monolayer Janus transition metal disulfides through Raman scattering.This paper systematically investigate the biaxial strain effect on the atomic structure, electronic structure and Raman spectra of monolayer Janus MoSSe. The results show that monolayer Janus MoSSe can exhibit a band gap transition from direct to indirect one under biaxial strain, due to both the energy shift of bonding orbitals between the top of the valence band and the bottom of the conduction band and the sensitivity to strain. This paper also thoroughly study the strain effect on the Raman shift and intensity of monolayer Janus MoSSe. It is found that under biaxial strain modulation from decreasing compressive to increasing tensile, for the Raman shift, the three peaks of E1, E2, and A11 red?shift, while the peak of A12 blue?shifts abnormally with decreasing compressive strain; for the intensity, the peak intensity of the doubly?degenerate modes (E1,E2) increases monotonically, while singly?degenerate modes shows the opposite trend, except for the A11 which intensity decreases with decreasing compressive strain and then increases with tensile strain. This paper propose a simple model to comprehend the strain effect. This theoretical study may supply an effective means to quickly and quantitatively characterize the strain size and type in Janus materials through the frequency difference and intensity ratio between typical Raman peaks.

Key words: Biaxial strain, Raman spectroscopy, Janus monolayer, Strain characterization



关键词: 双轴应变, 拉曼光谱, 单层双面神结构, 应力表征

CLC Number: 

Cite this article

Wei SUN, Hongzhi SUN, Bo ZHAO, Huaihong GUO. Theoretical Study on Raman Spectra of Janus MoSSe Single⁃Layer under Bi⁃Axial Strain[J]. Journal of Liaoning Petrochemical University, 2024, 44(1): 35-42.

孙薇, 孙鸿智, 赵波, 郭怀红. 双轴应变调控下单层双面神结构MoSSe拉曼光谱的理论研究[J]. 辽宁石油化工大学学报, 2024, 44(1): 35-42.