Pressure Induced Cation-Cation Bonding in V2O3

Authors

Ligang Bai, Carnegie Institute of WashingtonFollow
Quan Li, University of Nevada, Las Vegas
Serena A. Corr, University of Glasgow
Michael Pravica, University of Nevada, Las VegasFollow
Changfeng Cheng, University of Nevada, Las Vegas
Yusheng ZhaoFollow
Stanislav V. Sinogeikin, Carnegie Institute of Washington, ArgonneFollow
Yue Meng, Carnegie Institute of Washington, ArgonneFollow
Changyong Park, Carnegie Institute of Washington, ArgonneFollow
Guoyin Shen, Carnegie Institute of Washington, ArgonneFollow

Document Type

Article

Publication Date

10-9-2015

Publication Title

Physical Review B

Volume

92

Issue

13

First page number:

1

Last page number:

5

Abstract

A pressure-induced phase transition, associated with the formation of cation-cation bonding, occurs in V2O3 by combining synchrotron x-ray diffraction in a diamond anvil cell and ab initio evolutionary calculations. The high-pressure phase has a monoclinic structure with a C2/c space group, and it is both energetically and dynamically stable at pressures above 47 GPa to at least 105 GPa. This phase transition can be viewed as a two-dimensional Peierls-like distortion, where the cation-cation dimer chains are connected along the c axis of the monoclinic cell. This finding provides insights into the interplay of electron correlation and lattice distortion in V2O3, and it may also help to understand novel properties of other early transition-metal oxides.

Repository Citation

Bai, L., Li, Q., Corr, S. A., Pravica, M., Cheng, C., Zhao, Y., Sinogeikin, S. V., Meng, Y., Park, C., Shen, G. (2015). Pressure Induced Cation-Cation Bonding in V2O3. Physical Review B, 92(13), 1-5.
http://dx.doi.org/10.1103/physrevb.92.134106