X-ray diffraction study of metallic VO2
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Abstract
Refinement of the crystal structure of V${\mathrm{O}}_{2}$ at 360 and 470 K in the metallic rutile phase shows that both the vanadium and oxygen thermal displacements are larger than those found in rutile phases of Ti${\mathrm{O}}_{2}$ and Cr${\mathrm{O}}_{2}$ or monoclinic phases of V${\mathrm{O}}_{2}$ or ${\mathrm{V}}_{0.976}$${\mathrm{Cr}}_{0.024}$${\mathrm{O}}_{2}$. The vanadium-vanadium distance along the rutile ${\mathrm{V}}_{0.976}{\mathrm{Cr}}_{0.024}{\mathrm{O}}_{2}$ axis is anomalously short when compared with neighboring rutile phases while the other nearest-neighbor metal-metal and metal-oxygen distances vary smoothly across the series. A comparison of Debye temperatures calculated from heat-capacity and x-ray data suggests the presence of low-lying vibrational modes in metallic V${\mathrm{O}}_{2}$.
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