Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2

TitleReal-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2
Publication TypeJournal Article
Year of Publication2010
AuthorsCorr SA, Shoemaker DP, Melot BC, Seshadri R
JournalPhysical Review Letters
Volume105
Pagination056404
Date Published07/2010
ISSN0031-9007
KeywordsCNSI, CSC, DOE, HP, MRL
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.

URLhttp://link.aps.org/doi/10.1103/PhysRevLett.105.056404
DOI10.1103/PhysRevLett.105.056404
Grant: 
HP, CSC