Theoretical investigations of structural, mechanical, electronic and optical properties of NaScSi alloy
Walid Belkilali, Fadila Belkharroubi, M. Ameri, Nadia Ramdani, Fethi Boudahri, Friha Khelfaoui, Kadda Amara, S. Azzi, Lamia Drici, Ibrahim Ameri, Y. Al‐Douri
Topics & Concepts
Bulk modulusLattice constantShear modulusMaterials scienceDensity functional theoryAlloyBand gapElastic modulusAnisotropyCauchy distributionDirect and indirect band gapsElectronic structureCondensed matter physicsAb initioModuliPoisson's ratioThermodynamicsComputational chemistryPoisson distributionComposite materialChemistryOpticsPhysicsMathematicsDiffractionQuantum mechanicsMathematical analysisOptoelectronicsStatisticsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsIntermetallics and Advanced Alloy Properties