First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)
Enamul Haque
Abstract
The layered structure, and presence of heavier elements Rb/Cs and Sb induce high anharmonicity, low Debye temperature, intense phonon scattering, and hence, low lattice thermal conductivity.
Topics & Concepts
Seebeck coefficientThermoelectric effectDensity functional theoryThermal conductivityCondensed matter physicsAnharmonicityMaterials scienceFigure of meritPhonon scatteringThermoelectric materialsPhononScatteringDegenerate energy levelsDebye modelChemistryThermodynamicsComputational chemistryPhysicsOptoelectronicsOpticsQuantum mechanicsComposite materialAdvanced Thermoelectric Materials and DevicesThermal properties of materialsThermal Expansion and Ionic Conductivity