Displacive mechanisms and order-parameter symmetries for the A7-incommensurate-bcc sequences of high-pressure reconstructive phase transitions in Group Va elements

Hannelore Katzke and Pierre Tolédano
Phys. Rev. B 77, 024109 – Published 18 January 2008

Abstract

The high-pressure structural transitions observed in the Group Va elements P, As, Sb, and Bi are described by displacive atomic mechanisms. A theoretical analysis of the proposed mechanisms shows that two different structural paths are followed relating the low-pressure A7 structure to the highest-pressure bcc structure. One structural path gives rise to the host-guest structures found in As, Sb, and Bi, whereas another path yields the incommensurate P IV structure recently disclosed in P. The incommensurate character of the host-guest and P IV structures is shown to be imposed by the energetically most favorable path relating the A7 and bcc structures.

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  • Received 12 October 2007

DOI:https://doi.org/10.1103/PhysRevB.77.024109

©2008 American Physical Society

Authors & Affiliations

Hannelore Katzke1,* and Pierre Tolédano2

  • 1Institute of Geosciences, Crystallography, University of Kiel, Olshausenstraße 40, 24098 Kiel, Germany
  • 2Department of Physics, Faculty of Sciences, University of Picardie, 33 rue Saint-Leu, 80000 Amiens, France

  • *hanne@min.uni-kiel.de

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Vol. 77, Iss. 2 — 1 January 2008

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