Physica status solidi. C, Conferences and critical reviews/Physica status solidi. C, Current topics in solid state physics · 2005 · 14 citations · 0 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsPhase TransformationsSolid State PhysicsInorganic MaterialsPhase ChangePhase DiagramsPhase TransitionsSolid-state Phase TransitionsTransition Metal ChemistryAb Initio CalculationsAb Initio SimulationsGallium NitrideGallium Nitride (Gan) MaterialsHexagonal SymmetryPressure-dependent Structure AnalysisPressure-induced Phase TransitionsTransition Metal Nitrides
In this work, we have calculated ab initio the equation of state for the rocksalt, zincblende, wurtzite, 4H and 6H hexagonal modifications of GaN and InN, as well as both the wurtzite-to-rocksalt and zincblende-to-rocksalt phase transitions in these materials. Based on our results, the former phase transition is irreversible, and the zincblende structures is not obtained by applying pressure. Instead, polytypic structures, similar to those observed in SiC, can be obtained. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)