Superior thermoelectric properties of ternary chalcogenides CsAg<sub>5</sub>Q<sub>3</sub> (Q = Te, Se) predicted using first-principles calculations
Un-Gi Jong, Chung-Jin Kang, Su-Yong Kim, Hyon-Chol Kim, Chol‐Jun Yu
Abstract
We performed a first-principles investigation of the anharmonic lattice dynamics and thermal transport properties of CsAg 5 Q 3 (Q = Te and Se), revealing its promising thermoelectric performance.
Topics & Concepts
Thermoelectric effectSeebeck coefficientTernary operationThermoelectric materialsMaterials scienceCondensed matter physicsAnharmonicityPhononDopingThermal conductivityThermodynamicsPhysicsComputer scienceProgramming languageComposite materialAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films2D Materials and Applications