Pressure-induced phase transition of quartz-type GaPO4

被引：15

作者：

Murashov, VV

机构：

[1] Department of Chemistry, Dalhousie University, Halifax, NS

来源：

PHYSICAL REVIEW B | 1996年 / 53卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.53.107

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A transformation of the quartz-type GaPO4 to a new high-pressure phase has been observed in molecular dynamics simulation at 7 GPa (experimental value is 9 GPa). The phase has a monoclinic P2(1) structure and can be viewed as a wafer structure composed of more densely packed layers with six-coordinated Ga separated by less dense layers containing five-coordinated Ga. Phosphorous retains its fourfold coordination. Upon decompression this new monoclinic phase does not convert back to the quartz-type structure, but undergoes structural deformation without a change in the space-group symmetry. Prolonged annealing of this phase at 1000 K recovered the quartz-type structure.

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页码：107 / 110

页数：4

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