Pressure-induced cation-cation bonding in V2O3

Bai, L., Li, Q., Corr, S., Pravica, M., Chen, C., Zhao, Y., Sinogeikin, S., Meng, Y., Park, C. and Shen, G. (2015) Pressure-induced cation-cation bonding in V2O3. Physical Review B, 92(13), 134106. (doi: 10.1103/PhysRevB.92.134106)

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Abstract

A pressure-induced phase transition, associated with formation of the cation-cation bonding, is observed 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 C2=c space group and 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 understand novel properties of other early transition-metal oxides.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Corr, Professor Serena
Authors: Bai, L., Li, Q., Corr, S., Pravica, M., Chen, C., Zhao, Y., Sinogeikin, S., Meng, Y., Park, C., and Shen, G.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Physical Review B
Publisher:American Physical Society
ISSN:1098-0121
ISSN (Online):1550-235X
Copyright Holders:Copyright © 2015 American Physical Society
First Published:First published in Physical Review B 92(13):134106
Publisher Policy:Reproduced in accordance with the copyright policy of the publisher

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