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    X-Ray Determination of the 3d-Orbital Population in Vanadium Metal

    R. J. Weiss and J. J. DeMarco

    • U. S. Army Materials Research Agency, Watertown, Massachusetts

    Phys. Rev. 140, A1223 – Published 15 November, 1965

    DOI: https://doi.org/10.1103/PhysRev.140.A1223

    Abstract

    The ratio of the integrated intensities of the (330)-(411) and the (600)-(442) reflections was measured with Mo Kα x rays on a [110] vanadium single-crystal plate 0.004 in. thick. From these ratios the population of the t2g-orbital charge density was determined to be (81±6)% (remainder eg) compared with 60% t2g for a spherically symmetric charge density. The t2g-orbital charge density points toward the eight nearest neighbors in bcc vanadium.

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