First-principles calculations of the structural, electronic, and magnetic properties of transition-metal glasses

Ab-initio calculations of the atomic structure, the electronic density of states, the photoemission spectrum, and the magnetic properties of transition-metal glasses are presented. This approach is based on a tight-binding-bond approach to the interatomic forces, molecular dynamics simulations of the atomic structure and self-consistent spin-polarized linear-muffin-tin-orbital supercell calculations for the electronic and magnetic properties.