Experimental and theoretical study of the electronic structures of Ni ₃Al, Ni ₃Ga, Ni ₃In, and NiGa

The electronic structures of Ni ₃Al, Ni ₃Ga, Ni ₃In, and NiGa are studied by x-ray absorption near-edge spectra (XANES) at the Ni and Ga K edges. The XANES spectra are compared with those calculated with theory. The experimental XANES features for these compounds reflect the Ni- and Ga-p unoccupied density of states. The calculated magnetic moments for Ni ₃Al, Ni ₃Ga, and Ni ₃In are between 0.7-0.8μ _B/cell. The number of 3d holes per Ni atom is calculated for Ni ₃Al, Ni ₃Ga, and Ni ₃In. These numbers show correlation with heats of formation of the bulk compounds.