The electronic structures and magnetic moments of samples which had a large (up to 15%) vacancy content were calculated by using an electron self-consistent field Korringa-Kohn-Rostoker coherent potential approximation. The results predicted that a magnetic transition occurred at a vacancy concentration of about 10%. The Pd was non-magnetic at vacancy concentrations of less than 10%. The charge transfer at 10% vacancies agreed with the value that was predicted by using a rigid band model which satisfied the Stoner criterion. It was concluded that the magnetic moment in Pd with large fractions of vacancies was due to charge transfer from Pd to the vacancy.

N.Takano, T.Kai, K.Shiiki, F.Terasaki: Solid State Communications, 1996, 97[2], 153-6