A first principle study of structural, elastic, electronic and thermodynamic properties of Half-Heusler compounds; YNiPn (Pn=As, sb, and bi)
Madhu Sarwan, Abdul Shukoor, Faisal Shareef M., Sadhna Singh
Topics & Concepts
Debye modelBulk modulusPseudopotentialThermodynamicsMaterials scienceLattice constantCondensed matter physicsDensity of statesBand gapThermal expansionIonic bondingDensity functional theoryElectronic structureHeat capacityChemistryComputational chemistryDiffractionPhysicsIonQuantum mechanicsOrganic chemistryHeusler alloys: electronic and magnetic propertiesIntermetallics and Advanced Alloy PropertiesBoron and Carbon Nanomaterials Research