Spin-polarized electronic structure of bcc Gd

Abstract Although the bcc phase of Gd only occurs for the pure element at temperatures above 1235°C, it is possible by alloying to maintain at low temperatures single phase, Gd-rich samples with the bcc structure. Motivate by the initiation of an experimental program to study bcc Gd alloys at our laboratory, we have calculated the self-consistent, spin-polarized electronic structure of bcc Gd. The results are compared with previously reported calculations for hcp Gd. The calculated saturation magnetic moment (7.75μ B ) and the electronic contribution to the specific heat ( γ ∝ 10.6 mJ / mol K 2 ) may serve as useful benchmarks to compare with the forthcoming experimental values extrapolated from data on the Gd-rich bcc alloys.