Ab-initio investigations for structural, mechanical, optoelectronic, and thermoelectric properties of Ba2SbXO6 (X Nb, Ta) compounds
Hansraj Karwasara, K.C. Bhamu, Sung Gu Kang, A.K. Kushwaha, P. Raics, Subrahmanyam Sappati, Jagrati Sahariya, Amit Soni
Topics & Concepts
Seebeck coefficientThermoelectric effectMaterials scienceFigure of meritBulk modulusShear modulusBand gapDensity functional theoryElectronic band structureThermoelectric materialsDirect and indirect band gapsElectronic structureCondensed matter physicsOptical conductivityChemistryThermal conductivityThermodynamicsOptoelectronicsPhysical chemistryComposite materialComputational chemistryPhysicsPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic properties