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The wide band gap semiconductor \b{eta}-Ga2O3 shows promise for applicationsin high-power and high-temperature electronics. The phonons of \b{eta}-Ga2O3play a crucial role in determining its important material characteristics forthese applications such as its thermal transport, carrier mobility, andbreakdown voltage. In this work, we apply predictive calculations based ondensity functional theory and density functional perturbation theory tounderstand the vibrational properties, phonon-phonon interactions, andelectron-phonon coupling of \b{eta}-Ga2O3. We calculate the directionallydependent phonon dispersion, including the effects of LO-TO splitting andisotope substitution, and quantify the frequencies of the infrared andRaman-active modes, the sound velocities, and the heat capacity of thematerial. Our calculated optical-mode Gr\"uneisen parameters reflect theanharmonicity of the monoclinic crystal structure of \b{eta}-Ga2O3 and helpexplain its low thermal conductivity. We also evaluate the electron-phononcoupling matrix elements for the lowest conduction band to determine the phononmode that limits the mobility at room temperature, which we identified as apolar-optical mode with a phonon energy of 29 meV. We further apply thesematrix elements to estimate the breakdown field of \b{eta}-Ga2O3. Ourtheoretical characterization of the vibrational properties of \b{eta}-Ga2O3highlights its viability for high-power electronic applications and provides apath for experimental development of materials for improved performance indevices.

Vibrational and electron-phonon coupling properties of \b{eta}-Ga2O3 from first-principles calculations: Impact on the mobility and breakdown field