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

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.

4 pages, 5 figures

References in corpus (7)

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• Effective band-structure in the insulating phase versus strong dynamical correlations in metallic VO2
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Cited by in corpus (9)

• Density functional theory study of rutile VO2 surfaces
• Unraveling the Mott-Peierls intrigue in Vanadium dioxide
• Mind the gap but also the spin: why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO2 phases is not correct
• Ab initio study of Li, Mg and Al insertion into rutile VO2: Fast diffusion and enhanced voltages
• Photoemission evidence for crossover from Peierls-like to Mott-like transition in highly strained VO${}_2$
• Local structure study of the orbital order/disorder transition in LaMnO${}_3$
• Strain dependence of bonding and hybridization across the metal-insulator transition of VO2
• \textit{Ab initio} molecular dynamics study of the structural and electronic transition in VO${}_2$
• Fragile 3D Order in V${}_{1-x}$Mo${}_x$O${}_2$