X-Ray Determination of the3d-Orbital Population in Vanadium Metal

Abstract

The ratio of the integrated intensities of the (330)-(411) and the (600)-(442) reflections was measured with Mo $K\alpha$ x rays on a [110] vanadium single-crystal plate 0.004 in. thick. From these ratios the population of the $t_{2g}$-orbital charge density was determined to be (81±6)% (remainder $e_g$) compared with 60% $t_{2g}$ for a spherically symmetric charge density. The $t_{2g}$-orbital charge density points toward the eight nearest neighbors in bcc vanadium.