Strong anharmonicity and high thermoelectric performance of cubic thallium-based fluoride perovskites TlXF<sub>3</sub> (X = Hg, Sn, Pb)
Xuhao Song, Yinchang Zhao, Xichang Wang, Jun Ni, Sheng Meng, Zhenhong Dai
Abstract
First-principles calculations are performed to investigate the thermoelectric properties in thallium-based fluoride perovskites TlXF3 (X = Hg, Sn, Pb) by considering anharmonic renormalization of the phonon energy and exact electron relaxation times.
Topics & Concepts
AnharmonicityThermoelectric effectCondensed matter physicsMaterials sciencePhononThalliumThermoelectric materialsIonic bondingChemistryIonThermodynamicsPhysicsMetallurgyOrganic chemistryThermal Expansion and Ionic ConductivityOptical properties and cooling technologies in crystalline materialsAdvanced Thermoelectric Materials and Devices