ABINITIO CALCULATION OF LOCAL MAGNETIC-MOMENTS AND THE CRYSTAL-FIELD IN R2FE14B (R=GD, TB, DY, HO, AND ER)

The local magnetic moments and the valence contribution to the crystal-field parameter A2(0) at the rare-earth sites are calculated for R2Fe14B with R = Gd, Tb, Dy, Ho, and Er within the framework of the linear-muffin-tin-orbital theory and the local-spin-density approximation. Thereby, the 4f moments of R are calculated by the Russel-Saunders scheme, but the radial 4f spin density was part of the self-consistent density-functional calculation. The local moments as well as A2(0) averaged over the two crystallographically inequivalent R sites remain remarkably constant across the series.