Spiral-spin-density-wave states in fcc iron: Linear-muffin-tin-orbitals band-structure approach

A method for electronic-structure calculations of noncollinear magnetic structures has been developed based on the linear-muffin-tin-orbitals approach. Calculations of total energies and magnetic moments for various spiral-spin-density-wave states of fcc iron have been carried out. The results obtained show that the ground state of fcc iron is the spiral-spin-density-wave state. With the increase of the number of valence electrons (as in fcc Co) ferromagnetic ordering stabilizes essentially, whereas the decrease of that (as in fcc Mn) results in the antiferromagnetic ordering of spin moments.