First-principles study on the electronic band profiles, structural, mechanical and thermoelectric properties of semiconducting MgSc2Te4 and MgY2Te4 Spinels
Liaqat Ali, Tarik Ouahrani, Hayat Ullah, R. Neffati, Muhammad Waqar Ashraf, Malika Rani, Shamim Khan, G. Murtaza, Azmat Ali, A. Laref
Topics & Concepts
Thermoelectric effectMaterials scienceBand gapElectronic band structureSpinelDensity functional theoryDirect and indirect band gapsIonic bondingWork (physics)Condensed matter physicsChemical physicsEngineering physicsThermodynamicsComputational chemistryOptoelectronicsChemistryMetallurgyIonPhysicsOrganic chemistrySuperconductivity in MgB2 and AlloysHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices