Abstract
Dynamical properties of materials is determined using force constant expansions in the Hiphive package and density functional theory as implemented in the Gpaw code. Thermal conductivity of alkaline earth tellurides was determined, and the narrower width between amplitudons and electrical modes exhibited more supersonic cooling and heat transportation, and our findings are in perfect agreement with experimental research. When compared to the other binary crystals, BaTe appears to offer a dual advantage of shorter phonon lifetime at normal temperature as well as a speedier thermoelectric energy conversion due to the tiny gap between amplitudons and electric modes.
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