SKM 2023 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 41: Oxide Semiconductors I: Ga2O3
HL 41.1: Talk
Thursday, March 30, 2023, 15:00–15:15, POT 81
Thermal Conductivities of Ga2O3 Polymorphs: Analysis of Anharmonicity and Anisotropy — •Shuo Zhao, Matthias Scheffler, and Christian Carbogno — The NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS-Adlershof of the Humboldt-Universität zu Berlin
Gallium oxide (Ga2O3) is an ultra-wide bandgap material with substantial potential for electronics, e.g., in field effect transistors [1]. In this context, an atomistic understanding of its heat transport characteristics is essential for thermal management. For this purpose, we compute the lattice thermal conductivity of the α-, β-, and κ-polymorphs of Ga2O3 using the ab initio Green-Kubo formalism [2,3] that incorporates all orders of anharmonic effects via first-principle molecular dynamics. We discuss the role of anharmonic effects for the different polymorphs and investigate their influence on the anisotropy of the conductivity tensor. Our results provide guiding rules for maximizing and minimizing thermal transport in thin Ga2O3 films.
[1] M. Higashiwaki, et al., Appl. Phys. Lett. 100, 013504 (2012).
[2] C. Carbogno, R. Ramprasad, and M. Scheffler, Phys. Rev. Lett. 118, 175901 (2017).
[3] F. Knoop, M. Scheffler, and C. Carbogno, arXiv:2209.01139 (2022).