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We present an ab-initio study of the temperature dependent elastic constantsof BAs, a semiconductor that exhibits ultra-high thermal conductivity and isunder investigation for thermal management in electronics. We test theconsistency of our predictions by computing the temperature dependent soundvelocity of the longitudinal acoustic mode along the $[111]$ direction andcomparing with experiment. Furthermore, as a byproduct, we present the roomtemperature phonon dispersions, and the temperature dependent thermalexpansion, isobaric heat capacity, and average Gr\"{u}neisen parametercomparing with the most updated experiments and previous calculations whenavailable. Finally, we present the theoretical estimate of the temperaturedependent mean square atomic displacements.

Temperature dependent elastic constants and thermodynamic properties of BAs: an ab-initio investigation