Investigation on electronic and transport properties of two-dimensional Janus TiSiSeP2 monolayer using density functional theory
Vol. 132 No. 1C (2023), Original Article
Vol. 132 No. 1C (2023)

Investigation on electronic and transport properties of two-dimensional Janus TiSiSeP2 monolayer using density functional theory

Original Article
https://doi.org/10.26459/hueunijns.v132i1C.7248
Published 2023-09-30
Vo Thi Tuyet Vi*
Faculty of Basic Science, University of Medicine and Pharmacy, Hue University, Vietnam
Nguyen Quang Cuong
Institute of Research and Development, Duy Tan University, 03 Quang Trung, Da Nang, Vietnam
Nguyen Ngoc Hieu
Institute of Research and Development, Duy Tan University, 03 Quang Trung, Da Nang, Vietnam
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Keywords

Vật liệu Janus hai chiều
tính chất điện tử
độ linh động của điện tử
lý thuyết phiếm hàm mật độ Two-dimensional Janus materials
electronic properties
electron mobility
density functional theory

How to Cite

1.
Võ TTV, Nguyễn QC, Nguyễn NH. Investigation on electronic and transport properties of two-dimensional Janus TiSiSeP2 monolayer using density functional theory. hueuni-jns [Internet]. 2023Sep.30 [cited 2024Nov.23];132(1C):89-97. Available from: http://222.255.146.83/index.php/hujos-ns/article/view/7248
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Abstract

In this paper, the electronic and transport properties of two-dimensional (2D) Janus TiSiSeP2 monolayer were studied using density functional theory (DFT). The results exhibited that the Janus TiSiSeP2 monolayer is structurally stable and can be experimentally synthesized. At the ground state, the Janus TiSiSeP2 monolayer is an indirect semiconductor with a band gap of 1.23 eV at the hybrid functional HSE06 level. The electronic characteristics of TiSiSeP2 depend highly on an applied strain, expecially the band gap. Besides, the transport characteristics of TiSiSeP2 are also systematically investigated in the present work. Our findings contributed to a better understanding of the physical properties of 2D Janus TiSiSeP2 monolayer.

https://doi.org/10.26459/hueunijns.v132i1C.7248
PDF (Vietnamese)

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