Effects of the phase transition on the structural, mechanical, electronic and vibrational properties of the CaSnO3 perovskite: Study under hydrostatic pressure
J. E. Antonio, H. Muñoz, J.L. Rosas-Huerta, J. M. Cervantes, J. León-Flores, M. Romero, E.P. Arévalo-López, E. Carvajal, R. Escamilla
Topics & Concepts
CASTEPDebye modelOrthorhombic crystal systemHydrostatic pressureBand gapBond lengthPerovskite (structure)Materials scienceCondensed matter physicsThermodynamicsElectronegativityLattice constantEnthalpyDensity functional theoryPhase transitionChemistryCrystallographyComputational chemistryCrystal structureOpticsPhysicsOrganic chemistryDiffractionElectronic and Structural Properties of OxidesHigh-pressure geophysics and materialsAdvanced materials and composites