Lattice thermal conductivity of β-, α- and κ- Ga 2 O 3 : a first-principles computational study

Abstract The thermal transport properties of Ga 2 O 3 in different phases remain inadequately explored. We employ first-principles calculations and the phonon Boltzmann equation to systematically study the lattice thermal conductivity of β -, α - and κ -Ga 2 O 3 . Our results reveal that κ -Ga 2 O 3...

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Published inApplied physics express Vol. 17; no. 1; p. 11001
Main Authors Yang, Jinfeng, Xu, Yongze, Wang, Xiaonan, Zhang, Xu, He, Yang, Sun, Huarui
Format Journal Article
LanguageEnglish
Published 01.01.2024
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Summary:Abstract The thermal transport properties of Ga 2 O 3 in different phases remain inadequately explored. We employ first-principles calculations and the phonon Boltzmann equation to systematically study the lattice thermal conductivity of β -, α - and κ -Ga 2 O 3 . Our results reveal that κ -Ga 2 O 3 exhibits pronounced phonon anharmonicity due to its complex polyhedral configurations and weak bonding, resulting in significantly lower lattice thermal conductivity compared to β - and α -Ga 2 O 3 . This work provides critical knowledge of the fundamental phonon thermal transport properties of different-phase Ga 2 O 3 , as well as helpful guidance for the thermal design of Ga 2 O 3 -based high-power devices.
ISSN:1882-0778
1882-0786
DOI:10.35848/1882-0786/ad0ba8