A magnetic tight-binding model : surface properties of transition metals and cobalt nanoparticules
The magnetic and surface properties of some transition metals have been investigated through the tight-binding approximation including Coulomb correlations. These surface properties are derived from a charge neutrality rule restricted to the d-band leading to a charge distribution including sp surface states in agreement with a Linear Muffin-Tin Orbital (LMTO) calculation. This new approach describes the local magnetism, surface energies and work functions without recourse to the total energy. Our investigation focuses on fcc cobalt, bcc iron, fcc nickel and fcc platinum surfaces with an exploration of fcc cobalt nanoparticles.