Engineering the electronic band structure and thermoelectric performance of GeTe <i>via</i> lattice structure manipulation from first-principles
Tianyu Wang, Chun Zhang, Jia‐Yue Yang, Linhua Liu
Abstract
Atomic reciprocal displacement manipulates energy levels, indirect–direct band-gap transition and Rashba splitting of GeTe, and improves its thermoelectric performance.
Topics & Concepts
Thermoelectric effectElectronic band structureBand gapCondensed matter physicsLattice (music)Electronic structureThermoelectric materialsFigure of meritMaterials scienceElectronic bandReciprocal latticeEngineering physicsPhysicsOptoelectronicsQuantum mechanicsAcousticsDiffractionAdvanced Thermoelectric Materials and Devices2D Materials and ApplicationsChalcogenide Semiconductor Thin Films