Structural description of pressure-induced amorphization in ZrW2O8

被引：70

作者：

Keen, David A. ^{[1
]}

Goodwin, Andrew L.

Tucker, Matthew G.

Dove, Martin T.

Evans, John S. O.

Crichton, Wilson A.

Brunelli, Michela

机构：

[1] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

[2] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England

[3] Univ Sci Labs, Dept Chem, Durham DH1 3LE, England

[4] European Synchrotron Radiat Facil, F-38043 Grenoble, France

来源：

PHYSICAL REVIEW LETTERS | 2007年 / 98卷 / 22期

关键词：

D O I：

10.1103/PhysRevLett.98.225501

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

ZrW2O8 undergoes a high-pressure amorphization transition above 1.5 GPa to a phase which is recoverable to ambient conditions. Reverse Monte Carlo modeling of neutron and x-ray total scattering data from ZrW2O8 recovered from similar to 4 GPa shows that the large increase in density on pressurizing ZrW2O8 is accommodated within the structure by increased bonding between the WO4 tetrahedra. This increases the tungsten coordination; changes to the ZrO6 octahedral environment are not required. This densified crystal-based model, which contains significant local disorder within a distorted periodic structure, is also in reasonable agreement with x-ray and neutron total scattering data measured in situ at high pressure.

引用

页数：4

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