X-ray diffraction study of metallic VO2

D. B. McWhan, M. Marezio, J. P. Remeika, and P. D. Dernier
Phys. Rev. B 10, 490 – Published 15 July 1974
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Abstract

Refinement of the crystal structure of VO2 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 TiO2 and CrO2 or monoclinic phases of VO2 or V0.976Cr0.024O2. The vanadium-vanadium distance along the rutile V0.976Cr0.024O2 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 VO2.

  • Received 4 December 1973

DOI:https://doi.org/10.1103/PhysRevB.10.490

©1974 American Physical Society

Authors & Affiliations

D. B. McWhan*

  • Bell Laboratories, Murray Hill, New Jersey 07974

M. Marezio

  • Laboratoire de Rayons X, Centre National de la Recherche Scientifique B.P. 166 38042, Grenoble, France

J. P. Remeika and P. D. Dernier

  • Bell Laboratories, Murray Hill, New Jersey 07974

  • *Part of this work done while at Laboratoire de Magnetisme, Centre National de la Recherche Scientifique B. P. 166 38042, Grenoble, France.
  • Part of this work done while at Bell Laboratories, Murray Hill, N. J. 07974.

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Vol. 10, Iss. 2 — 15 July 1974

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