High thermoelectric performance in XAgSe<sub>2</sub> (X = Sc, Y) from strong quartic anharmonicity and multi-valley band structure
Xuhao Song, Yinchang Zhao, Jun Ni, Sheng Meng, Zhenhong Dai
Abstract
The thermal transport and thermoelectric characteristics of the chalcogenide XAgSe 2 (X = Sc, Y) are comprehensively investigated through first-principles calculations.
Topics & Concepts
AnharmonicityChalcogenideThermoelectric effectQuartic functionCondensed matter physicsMaterials scienceThermoelectric materialsThermalElectronic band structureEngineering physicsOptoelectronicsPhysicsThermodynamicsMathematicsPure mathematicsAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films2D Materials and Applications