First-principles calculations to investigate strain effects on structural, electronic, elastic and transport properties of Cs2PdBr6
Amina Boubekraoui, Meryem Ziati, H. Ez‐Zahraouy
Topics & Concepts
ChemistryDensity functional theorySeebeck coefficientFigure of meritBulk modulusElastic modulusBand gapBoltzmann constantThermoelectric effectCondensed matter physicsComputational chemistryThermodynamicsComposite materialMaterials sciencePhysicsOptoelectronicsPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic properties