Applied Mathematics and Mechanics (English Edition) ›› 2022, Vol. 43 ›› Issue (5): 627-636.doi: https://doi.org/10.1007/s10483-022-2844-7

• 论文 • 上一篇    下一篇

Near-zero Poisson's ratio and suppressed mechanical anisotropy in strained black phosphorene/SnSe van der Waals heterostructure: a first-principles study

Qi REN, Xingyao WANG, Yingzhuo LUN, Xueyun WANG, Jiawang HONG   

  1. School of Aerospace Engineering, Beijing Institute of Technology, Beijing 100081, China
  • 收稿日期:2022-01-10 修回日期:2022-03-09 发布日期:2022-05-05
  • 通讯作者: Jiawang HONG, E-mail:hongjw@bit.edu.cn
  • 基金资助:
    the National Natural Science Foundation of China (Nos.11572040 and 92163101),the National Key Research and Development Program of China (No.2019YFA0307900),and the Beijing Natural Science Foundation (No.Z190011)

Near-zero Poisson's ratio and suppressed mechanical anisotropy in strained black phosphorene/SnSe van der Waals heterostructure: a first-principles study

Qi REN, Xingyao WANG, Yingzhuo LUN, Xueyun WANG, Jiawang HONG   

  1. School of Aerospace Engineering, Beijing Institute of Technology, Beijing 100081, China
  • Received:2022-01-10 Revised:2022-03-09 Published:2022-05-05
  • Contact: Jiawang HONG, E-mail:hongjw@bit.edu.cn
  • Supported by:
    the National Natural Science Foundation of China (Nos.11572040 and 92163101),the National Key Research and Development Program of China (No.2019YFA0307900),and the Beijing Natural Science Foundation (No.Z190011)

摘要: Black phosphorene (BP) and its analogs have attracted intensive attention due to their unique puckered structures, anisotropic characteristics, and negative Poisson's ratio. The van der Waals (vdW) heterostructures assembly by stacking different materials show novel physical properties, however, the parent materials do not possess. In this work, the first-principles calculations are performed to study the mechanical properties of the vdW heterostructure. Interestingly, a near-zero Poisson's ratio vzx is found in BP/SnSe heterostructure. In addition, compared with the parent materials BP and SnSe with strong in-plane anisotropic mechanical properties, the BP/SnSe heterostructure shows strongly suppressed anisotropy. The results show that the vdW heterostructure has quite different mechanical properties compared with the parent materials, and provides new opportunities for the mechanical applications of the heterostructures.

关键词: van der Waals (vdW) heterostructure, Poisson's ratio, in-plane anisotropy, first-principles method

Abstract: Black phosphorene (BP) and its analogs have attracted intensive attention due to their unique puckered structures, anisotropic characteristics, and negative Poisson's ratio. The van der Waals (vdW) heterostructures assembly by stacking different materials show novel physical properties, however, the parent materials do not possess. In this work, the first-principles calculations are performed to study the mechanical properties of the vdW heterostructure. Interestingly, a near-zero Poisson's ratio vzx is found in BP/SnSe heterostructure. In addition, compared with the parent materials BP and SnSe with strong in-plane anisotropic mechanical properties, the BP/SnSe heterostructure shows strongly suppressed anisotropy. The results show that the vdW heterostructure has quite different mechanical properties compared with the parent materials, and provides new opportunities for the mechanical applications of the heterostructures.

Key words: van der Waals (vdW) heterostructure, Poisson's ratio, in-plane anisotropy, first-principles method

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