Structural, mechanical, electronic and optical properties of MgZnO3 perovskite: First-principles study
Dhan Raj Lawati, Hari Krishna Neupane, Dinesh Kumar Chaudhary, Pitamber Shrestha, Rajendra Adhikari, Leela Pradhan Joshi, Rajendra Parajuli
Topics & Concepts
Density functional theoryPerovskite (structure)Band gapHybrid functionalMaterials scienceIonic bondingOptical conductivityLattice constantElectronic band structureElectronic structureDirect and indirect band gapsCondensed matter physicsChemistryOptoelectronicsComputational chemistryPhysical chemistryOpticsCrystallographyPhysicsOrganic chemistryDiffractionIonPerovskite Materials and ApplicationsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials