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

Katzke, H. and Toledano, P. (2008) Displacive mechanisms and order-parameter symmetries for the A7-incommensurate-bcc sequences of high-pressure reconstructive phase transitions in Group Va elements Physical Review B, 77 (2). DOI 02410910.1103/PhysRevB.77.024109.

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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.

Document Type: Article
Keywords: x-ray-diffraction crystal-structure black phosphorus bcc structure host-guest barium-iv bismuth bi stability antimony
Research affiliation: Kiel University
DOI etc.: 02410910.1103/PhysRevB.77.024109
ISSN: 1098-0121
Date Deposited: 12 Jan 2012 05:25
Last Modified: 08 Oct 2012 10:14
URI: http://eprints.uni-kiel.de/id/eprint/15847

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