Proceedings of the National Academy of Sciences · 2010 · 77 citations · 29 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsMagnetic Properties Of SolidsPerovskite MaterialsPhase AnalysisPhase TransitionsSolid-state Phase TransitionsStates Of MatterElectronic-state CouplingHigh-pressure Phase BehaviorMagnetic PropertiesPerovskite Crystal Structure
When cubic PbCrO(3) perovskite (Phase I) is squeezed up to approximately 1.6 GPa at room temperature, a previously undetected phase (Phase II) has been observed with a 9.8% volume collapse. Because the structure of Phase II can also be indexed into a cubic perovskite as Phase I, the transition between Phases I and II is a cubic to cubic isostructural transition. Such a transition appears independent of the raw materials and synthesizing methods used for the cubic PbCrO(3) perovskite sample. In contrast to the high-pressure isostructural electronic transition that appears in Ce and SmS, this transition seems not related with any change of electronic state, but it could be possibly related on the abnormally large volume and compressibility of the PbCrO(3) Phase I. The physical mechanism behind this transition and the structural and electronic/magnetic properties of the condensed phases are the interesting issues for future studies.
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First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Prediction of lattice constant in cubic perovskites
Lan Jiang, Jun Guo, H.B. Liu et al. · Journal of Physics and Chemistry of Solids · 2006 · 361 citations