Effect of the negative chemical pressure on physical properties of doped perovskite molybdates in the framework of DFT method
S.K. Mitro, Khandaker Monower Hossain, R. Majumder, Md. Zahid Hasan
Topics & Concepts
Density functional theoryIonic radiusAnisotropyBulk modulusMaterials sciencePerovskite (structure)DopingIonic bondingShear modulusPolarizabilityChemistryIonComputational chemistryCrystallographyComposite materialMoleculeOrganic chemistryOpticsPhysicsOptoelectronicsPerovskite Materials and ApplicationsAdvanced Condensed Matter PhysicsSolid-state spectroscopy and crystallography