A DFT study of new full Heusler compound Li2MgC insights into the structural, electronic and thermoelectric properties: A high efficiency performance thermoelectric material
M. Matougui, S. Benatmane, B. Bouadjemi, M. Houari, S. Mesbah, T. Lantri, M.A. Kadaoui, A. Zitouni, S. Bentata
Topics & Concepts
WIEN2kThermoelectric effectDensity functional theoryMaterials scienceFigure of meritElectronic structureElectronic band structureCondensed matter physicsBand gapPlane waveThermodynamicsChemistryComputational chemistryLocal-density approximationOptoelectronicsPhysicsOpticsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials