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 ( ) 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 ( , , ) on compression at ambient temperature all follow the common path: rutile -type baddeleyite-type (MI) orthorhombic OI ( ) structure cotunnite-type (OII).
- Received 23 March 2001
DOI:https://doi.org/10.1103/PhysRevLett.87.275501
©2001 American Physical Society