Pressure-induced elastic, mechanical and opto-electronic response of RbCdF3: A comprehensive computational approach
Iqra Ilyas, Abrar Ahmad Zafar, Hafiz Muhammad Naeem Ullah, Muhammad Rizwan, Zahid Usman, S.S.A. Gillani
Topics & Concepts
CASTEPBulk modulusShear modulusLattice constantMaterials sciencePoisson's ratioElectronic structureDensity functional theoryBand gapDirect and indirect band gapsElastic modulusThermodynamicsCondensed matter physicsDebye modelChemistryComposite materialComputational chemistryPoisson distributionOpticsPhysicsMathematicsStatisticsOptoelectronicsDiffractionInorganic Fluorides and Related CompoundsMultiferroics and related materialsHeusler alloys: electronic and magnetic properties