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Publication Detail
Dense close-packed phase of tin above 157 GPa observed experimentally via angle-dispersive x-ray diffraction
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Article
  • Authors:
    Salamat A, Garbarino G, Dewaele A, Bouvier P, Petitgirard S, Pickard CJ, McMillan PF, Mezouar M
  • Publisher:
    AMER PHYSICAL SOC
  • Publication date:
    31/10/2011
  • Journal:
    PHYS REV B
  • Volume:
    84
  • Issue:
    14
  • Print ISSN:
    1098-0121
  • Language:
    EN
  • Keywords:
    HIGH-PRESSURE, STRUCTURAL-PROPERTIES, CRYSTAL-STRUCTURE, 1ST-PRINCIPLES, SN, TRANSITION, LEAD
  • Addresses:
    Salamat, A
    European Synchrotron Radiat Facil
    F-38043
    Grenoble
    France

    UCL
    Mat Chem Ctr
    London
    WC1H 0AJ
    England
Abstract
A hexagonal close-packed (P63/mmc) phase of the group 14 element Sn has been observed using angle-dispersive x-ray diffraction. The phase transition proceeds from bcc -> hcp above 157 GPa at 298 K via a first-order pathway, accompanied by a small decrease in unit-cell volume (0.2%). Both phases coexist up to 194 GPa. Ab initio random structure search calculations confirm that the hcp phase is the only candidate for another polymorph of Sn occurring in this pressure range, and predict a return to the bcc structure above 1.3 TPa.
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