Semiconductor SiGeS2 with Negative Poisson’s Ratio and High Electron Mobility Toward Applications in Opto-Electronic Devices

Pham Quynh Anh Nguyen1, , Van Cuu Ho1, Tan Truong1, Quang Cuong Nguyen2, Ngoc Hieu Nguyen2
1 Saigon University
2 Trường Đại học Duy Tân

Main Article Content

Abstract

In this paper, we systematically study the mechanical, electronic and transport properties of the two- dimensional asymmetric Janus SiGeS2 material by using density functional theory. The SiGeS2 monolayer is determined to be a stable crystal structure based on the analysis of ab-initio molecular dynamics simulation results, cohesive energy and comparison with Born–Huang criteria for mechanical stability. The SiGeS2 monolayer has anisotropic mechanical characteristics with both Young’s modulus and Poisson's ratio strongly dependent on the direction of investigation. Furthermore, the SiGeS2 monolayer has a negative Poisson’s ratio with values along the x-axis up to −0.169, which is a unique mechanical property with many application prospects in various fields of technology. In the ground state, the SiGeS2 monolayer is a direct bandgap semiconductor. In particular, SiGeS2 monolayer has very high mobility, up to 1386.27 cm2V–1s–1. With high electron mobility, the SiGeS2 monolayer has great potential to be used in next-generation opto-electronic devices.

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References

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