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Prediction of structural, electronic, and lattice dynamical properties of ABO3 [A = K, Rb, Cs; B = Sn, Sb] perovskite compounds

Ülkü Bayhan, İ. Yilmaz

2022Physica B Condensed Matter25 citationsDOI

Topics & Concepts

Lattice constantBulk modulusDensity functional theoryAb initioPerovskite (structure)Materials scienceAb initio quantum chemistry methodsElectronic structureComputational chemistryAnisotropyShear modulusLattice (music)Elastic modulusPoisson's ratioPhysical chemistryThermodynamicsChemistryCrystallographyPoisson distributionMoleculePhysicsComposite materialOrganic chemistryDiffractionQuantum mechanicsStatisticsMathematicsAcousticsPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties
Prediction of structural, electronic, and lattice dynamical properties of ABO3 [A = K, Rb, Cs; B = Sn, Sb] perovskite compounds | Litcius