Structural, optoelectronic and thermodynamical insights into 2H-ZrO2: A DFT investigation
Mubashar Ali, Zunaira Bibi, M.W. Younis, Muhammad Asif Iqbal
Topics & Concepts
MonolayerPhononMaterials scienceCondensed matter physicsBand gapDensity functional theoryLattice constantDensity of statesSemiconductorValence (chemistry)Direct and indirect band gapsLattice (music)Electronic band structureElectronic structureChemistryComputational chemistryOptoelectronicsNanotechnologyDiffractionOpticsPhysicsAcousticsOrganic chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications