Real-space investigation of structural changes at the metal-insulator transition in VO₂

Corr, S.A., Shoemaker, D.P., Melot, B.C. and Seshadri, R. (2010) Real-space investigation of structural changes at the metal-insulator transition in VO₂. Physical Review Letters, 105(5), 056404. (doi: 10.1103/PhysRevLett.105.056404)

Abstract

Synchrotron x-ray total scattering studies of structural changes in rutile VO2 at the metal-insulator transition temperature of 340 K reveal that monoclinic and tetragonal phases of VO2 coexist in equilibrium, as expected for a first-order phase transition. No evidence for any distinct intermediate phase is seen. Unbiased local structure studies of the changes in V-V distances through the phase transition, using reverse Monte Carlo methods, support the idea of phase coexistence and point to the high degree of correlation in the dimerized low-temperature structure. No evidence for short-range V-V correlations that would be suggestive of local dimers is found in the metallic phase.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Corr, Professor Serena
• Authors: Corr, S.A., Shoemaker, D.P., Melot, B.C., and Seshadri, R.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Physical Review Letters
• Publisher: American Physical Society
• ISSN: 0031-9007
• ISSN (Online): 1079-7114
• Published Online: 30 July 2010