Two-dimensional electronic structure for high thermoelectric performance in halide perovskite Cs<sub>2</sub>Au(<scp>i</scp>)Au(<scp>iii</scp>)I<sub>6</sub>
Junyan Liu, Gang Tang, Jin-Jian Zhou, Jiawang Hong
Abstract
value, which is close to 1 at 300 K and ∼4 at 800 K. Our results suggest that the 2D electronic structure from the weak interaction between d and p crystal orbitals is a promising route to design high-efficiency halide double perovskite thermoelectric materials.
Topics & Concepts
Thermoelectric effectHalideMaterials sciencePerovskite (structure)Valence (chemistry)Fermi levelThermoelectric materialsElectronic structureThermal conductivityPhononCondensed matter physicsCrystal structureAtomic orbitalCrystallographyChemistryInorganic chemistryThermodynamicsElectronPhysicsComposite materialQuantum mechanicsOrganic chemistryPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesThermal Expansion and Ionic Conductivity