Experimental and theoretical identification of a new high-pressure TiO2 polymorph.
Phys Rev Lett
; 87(27 Pt 1): 275501, 2001 Dec 31.
Article
em En
| MEDLINE
| ID: mdl-11800890
ABSTRACT
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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Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Diagnostic_studies
Idioma:
En
Revista:
Phys Rev Lett
Ano de publicação:
2001
Tipo de documento:
Article
País de afiliação:
Alemanha