Spin and orbital magnetism in 3dsystems

We present self-consistent linear muffin-tin orbitals calculations for the cubic systems bcc Fe (α-Fe), ${\mathrm{YFe}}_2$, FeAl, and ${\mathrm{Fe}}_3$Al, and the hexagonal compounds ${\mathrm{ThFe}}_5$ and ${\mathrm{Fe}}_2$P. The spin-polarized calculations include the spin-orbit coupling and both the spin and orbital moments are reported. A simple model calculation is presented for α-Fe and from this it is concluded that the low orbital moments in the presently investigated 3d systems can be understood from the symmetry-adapted wave functions of the crystal.