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Materials Data on GdCo5 by Materials Project

GdCo5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Gd–Co bond distances ranging from 2.84–3.16 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Gd and six Co atoms. There are four shorter (2.43 Å) and two longer (2.44 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Gd and eight Co atoms to form a mixture of face, edge, and corner-sharing CoGd4Co8 cuboctahedra. All Co–Co bond lengths are 2.47 Å. In the third Co site, Co is bonded to four equivalent Gd and eight Co atoms to form a mixture of face, edge, and corner-sharing CoGd4Co8 cuboctahedra. Both Co–Co bond lengths are 2.47 Å.

36 MATERIALS SCIENCE↗

Studies of magnetostriction and spin polarized band structures of rare earth intermetallics

Anisotropic magnetostriction measurements of R6Fe23, R = (Tb, Dy, Ho, and Er) were carried out from 77 K to room temperature. Magnetic fields up to 2.1 Tesla were applied. All the compounds exhibited large magnetostrictions at 77 K, the largest effect being obtained for Tb6Fe23. Saturation magnetostriction values for the compounds were also determined for 77 K and room temperature. Results of the temperature dependence of magnetostriction for Er6Fe23 are in good agreement with Callen and Callen's single ion theory. Therefore, the main sources of magnetostriction in this compound is the Er ion. The spin-up and spin-down electronic energy bands, the density of states and the magnetic moments of YCo5, SmCo5, and GdCo5 were calculated by the spin polarized augmented plane wave technique. The calculations obtained show the origin of the moment, provide good estimates of its magnitude and variation, and the reasons for those variations. They also show the important role of partial charge transfer and of d-d electronic coupling. Calculations for LaNi5 and GdNi5 systems are discussed.

Wallace, W. E.↗