Abstract

In order to study the relativistic effects on the magnetic properties of transition metals, we have performed self-consistent relativistic spin-polarised electronic band structure calculations for two cubic systems: Ni and Fe. The spin-polarised fully relativistic linear muffin-tin orbital method is used. The calculated ground state spin and orbital magnetic moments and magnetic form factors for Ni and Fe are presented. The magneto-crystalline anisotropy in the band structure is studied, by rotating the magnetisation direction from (0 0 1) to (1 1 1) and then to (1 1 0). Finally, a computationally very intensive study of the magneto-crystalline anisotropy energy and moment has been carried out.

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