Ca <sub>4</sub> Sb <sub>2</sub> O and Ca <sub>4</sub> Bi <sub>2</sub> O: two promising mixed-anion thermoelectrics
Warda Rahim, Jonathan M. Skelton, David O. Scanlon
Abstract
Using first-principles modelling we predict Ca 4 Sb 2 O and Ca 4 Bi 2 O to have ultra-low lattice thermal conductivity, making them promising earth-abundant oxide thermoelectrics.
Topics & Concepts
Thermoelectric materialsThermoelectric effectMaterials scienceDensity functional theoryChalcogenideThermal conductivityChemical physicsCondensed matter physicsEngineering physicsComputational chemistryThermodynamicsChemistryOptoelectronicsPhysicsComposite materialAdvanced Thermoelectric Materials and DevicesPerovskite Materials and ApplicationsThermal properties of materials