Correlated High-Pressure Phase Sequence of Metal-dioxides under Strong Compression


Dr. Sheng-Yi Xie

Assistant Professor 
School of Physics and Electronics 
Hunan University, China 

Date & Time

Tuesday, 7 August 2018

3:00 am


Room 7-37, Haking Wong Building, HKU

Understanding how a crystal structure behave under compression is a fundamental issue both for condensed matter physics and for geoscience. Traditional description of a crystal as the stacking of a unit cell with special symmetry has gained much success on the analysis of physical properties. Unfortunately, it is hard to reveal the relationship between the compressed phases. Taking the family of metal dioxides (MO2) as an example, the structural evolution, subject to fixed chemical formula and highly confined space, often appears as a set of random and uncorrelated events. We provide an alternative way to treat the crystal as the stacking of the coordination polyhedron and then discover a unified structure transition pattern, in our case VO2. X-ray diffraction (XRD) experiments and first-principles calculations show that the coordination increase happens only at one apex of the V-centered octahedron in an orderly fashion, leaving the base plane and the other apex topologically intact. The polyhedron evolves toward increasing their sharing, indicating a general rule for the chemical bonds of MO2 to give away the ionicity in exchange for covalency under pressure.

Research Areas:

Advanced Materials

Contact for


Dr. Y. Chen

+(852) 3917 7095

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