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

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.