The Mechanical, Electric and Thermoelectric Properties of the Low-Dimensional Material SnSx

EasyChair Preprint 9384

Abstract

In this study, the mechanical and thermoelectric properties of low-dimensional materials SnSx (x = 1.2) were calculated by first principle method using density functional theory. The obtained results show that the SnSx material has anisotropic properties, the elastic modulus in the x and y directions is 10.47 N/m and 23.93 N/m, respectively, which is much smaller than that of the SnS2 material at 93.23 N/m. At equilibrium, SnS has the band gap of 1.44 eV, which is higher than that of SnS2 of 0.76 eV. The semiconductor properties of SnS and SnS2 both tend to increase under tensile strain and decrease under compression strain. The Seebeck coefficient (thermoelectric sensitivity - S) of SnS is large (> 2 mV/K at 300K) and can increase under tensile strain. Conductivity can be improved upon the effect of strain. The results of study contribute to elucidating the influence of mechanical strain on thermoelectric and electronic properties of materials, applied to theoretical and practical research in the future.

Keyphrases: Hệ số Seebeck, Nhiệt điện, Vật liêu 2D, Độ rộng vùng cấm

@booklet{EasyChair:9384,
  author    = {Tran The Quang and Nguyen Hoàng Linh and Nguyn Minh Son and Nguyen Van Hoi and Vuong Van Thanh and Tran Thị Hòa and Đo Van Truong},
  title     = {The Mechanical, Electric and Thermoelectric Properties of the Low-Dimensional Material SnSx},
  howpublished = {EasyChair Preprint 9384},
  year      = {EasyChair, 2022}}