Computational prediction of the thermoelectric performance of LaZnOPn (Pn = P, As)
Maud Einhorn, Benjamin A. D. Williamson, David O. Scanlon
Abstract
State-of-the-art density functional theory is used to demonstrate that LaZnOP and LaZnOAs have great potential as earth-abundant p-type thermoelectric materials for high-temperature applications.
Topics & Concepts
Thermoelectric effectDensity functional theoryMaterials scienceState (computer science)Thermoelectric materialsEngineering physicsNanotechnologyPhysicsComputer scienceThermodynamicsQuantum mechanicsAlgorithmAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsMagnetic and transport properties of perovskites and related materials