二维Janus Ga2SSe/β-Ga2O3异质结在双轴应变调控下的电子及光学特性

doi:10.11896/cldb.24070065

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Abstract Two-dimensional Janus TMDs (MXY structure) have been used to construct heterojunctions with β-Ga₂O₃ to improve the optoelectronic pro-perties of β-Ga₂O₃, but there are few reports on the research of forming heterostructures by contacting β-Ga₂O₃ with Janus chalcogenides of group III-VI with M₂XY structure. In this study, the electronic structure and optical absorption characteristics of the Ga₂SSe/β- Ga₂O₃ heterojunction were thoroughly investigated. Additionally, the impact of biaxial strain on the performance of this heterojunction was analyzed emphatically. The research results are as follows. First, Compared to Ga₂SSe(-S)/β-Ga₂O₃, the heterojunction Ga₂SSe(-Se)/β-Ga₂O₃ exhibits a lower tunneling barrier and a higher transmission efficiency, and the optical absorption of the heterojunction is significantly enhanced in the ultraviolet region. Second, Biaxial strain significantly impacts the bandgap, carrier effective masses, and optical absorption performance of the heterojunction. Under biaxial strain ranging from -8% to 8%, the heterojunction′s bandgap decreases with increasing strain, adjustable within a wide range of 0.2 eV to 1.43 eV. The electron effective mass gradually decreases from 0.376 eV to 0.258 eV, while the hole effective mass undergoes a sharp drop at -2% compressive strain, indicating a more pronounced effect of compressive strain on the hole effective mass. In addition, the optical absorption capacity of the heterojunction from infrared to ultraviolet region is significantly enhanced under tensile strain compared with that under compressive strain. This study not only reveals the excellent performance of Ga₂SSe/β-Ga₂O₃ heterojunction, but also provides new ideas and theoretical support for the design of high-performance optoelectronic devices.

Key words： β-Ga₂O₃ type II van der Waals heterojunction biaxial strain modulation optoelectronic property

Published: 25 July 2025 Online: 2025-07-29

CLC number:

O469

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	MIAO Ruixia
	JIA Xiaotan
	NIU Jiamei
	YAN Jie

Cite this article:

MIAO Ruixia,JIA Xiaotan,NIU Jiamei, et al. Electronic Structure and Optical Properties of Two-dimensional Janus Ga₂SSe/β-Ga₂O₃ Heterojunction Under Biaxial Strain Modulation[J]. Materials Reports, 2025, 39(14): 24070065-7.

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https://www.mater-rep.com/EN/10.11896/cldb.24070065 OR https://www.mater-rep.com/EN/Y2025/V39/I14/24070065

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