Mechanical, electronic, thermodynamic and vibrational properties of X2MgAl (X = Sc, Ti and Y) from first principles calculations
Nihat Arıkan, Selgin Al, A. İyigör
Topics & Concepts
Debye modelMaterials scienceBrillouin zonePhononThermodynamicsAtom (system on chip)Condensed matter physicsFermi levelChemical stabilityBand gapDebyeElectronic band structureDensity functional theoryComputational chemistryChemistryPhysicsComputer scienceQuantum mechanicsEmbedded systemElectronOptoelectronicsHeusler alloys: electronic and magnetic propertiesIntermetallics and Advanced Alloy PropertiesBoron and Carbon Nanomaterials Research