https://doi.org/10.1140/epjb/s10051-025-00934-1
Regular Article - Solid State and Materials
Enhancing vertical piezoelectricity in Al-doped β-Ga2O3 bilayer: a first-principles study
1
Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter, Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics, South China Normal University, 510006, Guangzhou, China
2
Guangdong-Hong Kong Joint Laboratory of Quantum Matter, Frontier Research Institute for Physics, South China Normal University, 510006, Guangzhou, China
3
School of Cyber Security, Guangdong Polytechnic Normal University, 510665, Guangzhou, China
4
School of Physics, South China Normal University, 510006, Guangzhou, China
Received:
26
February
2025
Accepted:
22
April
2025
Published online:
7
May
2025
With increased requirements of electronic devices for the size and the thickness of piezoelectric materials, the research of two-dimensional (2D) piezoelectric materials becomes more significant. As a fourth-generation semiconductor, β-Ga2O3 has attracted much attention owing to its superior properties. In this work, β-Ga2O3 bilayer and its doped systems were investigated through first-principles calculations. The piezoelectric effect of pristine β-Ga2O3 bilayer is induced by substitutional doping. We choose three transition metal elements (i.e., Cu, Al, and In) as dopants and find that AlIV-doped β-Ga2O3 bilayer exhibits the best stability among these studied materials. Compared with published study on β-Ga2O3 monolayer, the flexibility of bilayer structure is better than the monolayer one when doping with Al element. More importantly, the out-of-plane piezoelectric coefficient d31 of bilayer (
5.55 pm/V) is twice larger than that of monolayer ( 2.55 pm/V). These values are comparable with those of conventional bulk materials, like GaN (3.1 pm/V) and α-quartz (2.3 pm/V). Our works offer a novel two-dimensional material, making doped β-Ga2O3 bilayer promising for various applications in energy collectors and piezoelectric sensors.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2025
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
