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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

2020Physica E Low-dimensional Systems and Nanostructures32 citationsDOI

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
Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework | Litcius