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Observation of the oP8 crystal structure in potassium at high pressure

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Original languageEnglish
Article number020101
Pages (from-to)-
Number of pages4
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume80
Issue number2
DOIs
Publication statusPublished - Jul 2009

Abstract

Ab initio electronic structure calculations on potassium at high pressure reveal that the orthorhombic oP8 structure, found recently in sodium, has a lower enthalpy in potassium than do other candidate crystal structures recently reported to be stable at high pressure [Y. Ma, A. R. Oganov, and Y. Xie, Phys. Rev. B 78, 014102 (2008)]. Subsequent powder-diffraction studies to above 100 GPa confirm oP8 to be the stable phase of potassium from 54(2) to 90(2) GPa, where it transforms to the tetragonal tI4 structure, which in turn transforms to the orthorhombic oC16 structure at 96(3) GPa.

    Research areas

  • ab initio calculations, crystal structure, enthalpy, high-pressure solid-state phase transformations, potassium, BRILLOUIN-ZONE INTEGRATIONS, X-RAY-DIFFRACTION, DENSE LITHIUM, SODIUM, SUPERCONDUCTIVITY, TRANSITIONS, CESIUM, PHASE, GPA

ID: 1277472