Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS<sub>2</sub>
Yatian Zhang, Zhen Tong, Alessandro Pecchia, ChiYung Yam, Traian Dumitrică, Thomas Frauenheim
Abstract
Thermal properties of 2H-TaS 2 are investigated using first-principles calculations and the Boltzmann transport equation. Electronic thermal conductivity and four-phonon scattering, which were typically overlooked, are found to be non-negligible.
Topics & Concepts
PhononScatteringCondensed matter physicsElectronThermalPhonon scatteringPhysicsMaterials scienceQuantum mechanicsThermodynamics2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesMachine Learning in Materials Science