Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework
Pankaj Kumar, Kaptan Rajput, Debesh R. Roy
Topics & Concepts
Seebeck coefficientThermoelectric effectMaterials scienceFigure of meritDirect and indirect band gapsBand gapThermoelectric materialsPhononElectronic band structureCondensed matter physicsThermodynamicsPhysicsOptoelectronicsAdvanced Thermoelectric Materials and Devices2D Materials and ApplicationsHeusler alloys: electronic and magnetic properties