THE LOCAL ENVIRONMENTAL-EFFECTS ON THE MAGNETISM OF SHORT-RANGE CLUSTERED CUNI ALLOYS

The locally self-consistent multiple-scattering method has been applie d to spin-polarized LDA calculations for ferromagnetic Cu0.2Ni0.8 allo ys. The sample used to simulate the alloys involved up to 256 atoms pe r cell and was constructed to be short-range clustering with the exper imentally measured short-range order parameters, The magnetic cross se ction for neutron scattering was also calculated and compared with the neutron scattering data, The magnetic moments of Ni atoms were found to be sensitive to local atomic configurations.