Physical review. B, Condensed matter · 1986 · 509 citations · 28 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsCrystallographyPhase DiagramsPhase TransitionsSilicon MaterialsX-ray CrystallographyX-ray DiffractionAb Initio CalculationsCrystal FormHexagonal Close-packed StructureHigh-pressure CrystallographyHigh-pressure DiffractionHigh-pressure Phase BehaviorHigh-pressure Phase RelationsHigh-pressure Phase Transitions
X-ray-diffraction data have been obtained on Si in a diamond anvil cell to pressures of \ensuremath{\sim}50 GPa. Crystallographic data are presented in phase I (cubic, diamond), II (tetragonal, \ensuremath{\beta}-Sn), V (simple hexagonal), VII (hexagonal close-packed), and the metastable phase III [body-centered-cubic (BC8)] and on the coexistence of the phases. Comparison is made between these data and the predictions of ab initio calculations for these structures and their equations of state.
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