Thermoelectric properties of <i>Pnma</i> and <i>R</i>3<i>m</i> GeS and GeSe
Min Zhang, Joseph M. Flitcroft, Sophie K. Guillemot, Jonathan M. Skelton
Abstract
A fully ab initio modelling workflow is used to predict the thermoelectric figure of merit ZT of the Pnma and R 3 m phases of GeS and GeSe. Our results suggest that n-type GeSe may be a good partner for p-type SnSe in a thermoelectric couple.
Topics & Concepts
Materials scienceThermoelectric effectFigure of meritThermoelectric materialsCondensed matter physicsAb initioType (biology)CrystallographyEngineering physicsThermodynamicsOptoelectronicsPhysicsQuantum mechanicsChemistryBiologyEcologyAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films2D Materials and Applications