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Enhancing the mechanical strength of $β$ - ${Ga}_{2} O_{3}$ with $Al$ alloying

Yuchao Yan, Cheng Li, Ning Xia, Tianqi Deng, Hui Zhang, and Deren Yang

Phys. Rev. Applied 21, 064036 – Published 14 June 2024

Abstract

$β$ - ${Ga}_{2} O_{3}$ is a promising ultrawide-bandgap semiconductor material for power electronics and optical applications. However, its low hardness and cleavage nature pose major challenges to crystal growth and processing. In this study, $Al$ alloying is proposed as an effective method to improve the mechanical properties of $β$ - ${Ga}_{2} O_{3}$ as seed crystals and substrates. First-principle calculations are employed to assess the alloying-induced evolution of crystal structure and mechanical behavior. Elastic constants, ideal shear strengths, and ideal cleavage strengths are all shown to enhance with increasing $Al$ concentration. Our analysis reveals the possibility of obtaining the mechanically favorable $β$ - ${Ga}_{2} O_{3}$ seed crystals and substrates with proper $Al$ alloying, providing theoretical guidance to the development of $β$ - ${Ga}_{2} O_{3}$ materials and devices.

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Received 30 October 2023
Revised 10 April 2024
Accepted 22 May 2024

DOI:https://doi.org/10.1103/PhysRevApplied.21.064036

Physics Subject Headings (PhySH)

Mechanical deformation

Disordered alloys Semiconductor compounds

Density functional theory

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Yuchao Yan^1,2, Cheng Li^2,3, Ning Xia³, Tianqi Deng ^1,2,*, Hui Zhang^1,2,†, and Deren Yang^1,2

¹State Key Laboratory of Silicon and Advanced Semiconductor Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China
²Institute of Advanced Semiconductors & Zhejiang Provincial Key Laboratory of Power Semiconductor Materials and Devices, Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University, Hangzhou, Zhejiang 311200, China
³Hangzhou Garen Semiconductor Company Limited, Hangzhou, Zhejiang 311200, China

^*Corresponding author: [email protected]
^†Corresponding author: [email protected]

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Vol. 21, Iss. 6 — June 2024

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Physical Review Applied

Enhancing the mechanical strength of β-Ga2O3 with Al alloying

Yuchao Yan, Cheng Li, Ning Xia, Tianqi Deng, Hui Zhang, and Deren Yang

Phys. Rev. Applied 21, 064036 – Published 14 June 2024

Abstract

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Enhancing the mechanical strength of $β$ - ${Ga}_{2} O_{3}$ with $Al$ alloying