Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics

Xin-Yi Yang; Yi-Feng Sun; Guo-Ting Nan; Zhi Long; Xiao-Jun Yan; De-Fen Li; Li-Li Liu; Shi-Fa Wang; Xiao-Zhi Wu; Lei Hu

Results in Physics (Aug 2023)

Single-layer ZnGaInS4: Desirable bandgap and high carrier separation efficiency for optoelectronics

Xin-Yi Yang,
Yi-Feng Sun,
Guo-Ting Nan,
Zhi Long,
Xiao-Jun Yan,
De-Fen Li,
Li-Li Liu,
Shi-Fa Wang,
Xiao-Zhi Wu,
Lei Hu

Affiliations

Xin-Yi Yang: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China
Yi-Feng Sun: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China
Guo-Ting Nan: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; College of Computer Science and Engineering, Chongqing Three Gorges University, Chongqing 404100, China
Zhi Long: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China
Xiao-Jun Yan: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; College of Computer Science and Engineering, Chongqing Three Gorges University, Chongqing 404100, China
De-Fen Li: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China
Li-Li Liu: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China; Institute for Structure and Function, Chongqing University, Chongqing 401331, China; Corresponding authors at: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China (L.L. Liu).
Shi-Fa Wang: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China
Xiao-Zhi Wu: Institute for Structure and Function, Chongqing University, Chongqing 401331, China; Corresponding authors at: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China (L.L. Liu).
Lei Hu: College of Electronic and Information Engineering, Chongqing Three Gorges University, Chongqing 404100, China; Corresponding authors at: College of Teacher Education, Chongqing Three Gorges University, Chongqing 404100, China (L.L. Liu).

Journal volume & issue: Vol. 51
p. 106658

Abstract

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Two-dimensional optoelectronic materials with desirable bandgaps and high carrier separation efficiency are in urgent need. Herein, single-layer ZnGaInS4 is designed and thoroughly studied by first-principles calculations. Our calculations reveal the excellent stability of single-layer ZnGaInS4, and the small cleavage energy demonstrates the feasibility to exfoliate single-layer ZnGaInS4 from bulk counterparts. At the HSE06 level, single-layer ZnGaInS4 has a moderate bandgap of 2.05 eV, and its valence band maximum and conduction band minimum are spatially separated, thus impeding the electron-hole pair formation and enhancing the photoelectronic performance. In the visible region, single-layer ZnGaInS4 exhibits an optical absorption coefficient of ∼ 105 cm−1. Notably, single-layer ZnGaInS4 possesses high electron carrier mobility and low hole carrier mobility, further affirming the effective carrier separation. Another attractive characteristic is that single-layer ZnGaInS4 has anisotropic hole mobility. The desirable bandgap and high separation efficiency of generated carriers, together with abundant optical absorption, promise single-layer ZnGaInS4 is a hopeful candidate in atomic-thick optoelectronic devices.

Published in Results in Physics

ISSN: 2211-3797 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Science: Physics
Website: http://www.journals.elsevier.com/results-in-physics/

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