First-Principles study of the structural, electronic, elastic, lattice dynamics and thermoelectric properties of the newly predicted half-heusler alloys NaYZ (Z = Si, Ge, Sn)
Olusola Gabriel Adeleye, B.I. Adetunji, A. N. Njah, O. I. Olusola
Topics & Concepts
Lattice constantThermoelectric effectCondensed matter physicsSeebeck coefficientDensity functional theoryMaterials scienceElectronic band structureEffective mass (spring–mass system)Lattice (music)ThermodynamicsChemistryComputational chemistryPhysicsDiffractionQuantum mechanicsAcousticsOpticsAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic properties2D Materials and Applications