Experimental and theoretical identification of a new high-pressure TiO2 polymorph -: art. no. 275501

被引：171
作者：
Dubrovinskaia, NA
Dubrovinsky, LS
Ahuja, R
Prokopenko, VB
Dmitriev, V
Weber, HP
Osorio-Guillen, JM
Johansson, B
机构：
[1] Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany
[2] Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden
[3] Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA
[4] European Synchrotron Radiat Facil, SNBL, F-38043 Grenoble, France
来源：
PHYSICAL REVIEW LETTERS | 2001年 / 87卷 / 27期
关键词：
D O I：
10.1103/PhysRevLett.87.275501
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Our combined theoretical and experimental investigations have led to the discovery of a new polymorph of titanium dioxide, where titanium is seven-coordinated to oxygen in the orthorhombic OI (Pbca) structure. The zero-pressure bulk modulus of the new phase measured in the pressure range 19 to 36 GPa is 318(3) GPa. We demonstrate that the group IVa dioxides (TiO2, ZrO2, HfO2) on compression at ambient temperature all follow the common path: rutile --> alpha -PbO2-type --> baddeleyite-type (MI) --> orthorhombic OI (Pbca) structure --> cotunnite-type (OII).
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页码：275501 / 1
页数：4
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