Experimental and theoretical study of the electronic structures of intermetallic compounds and alloys containing Fe or Ni

The electronic structures of two groups of intermetallic compounds and alloys containing Fe, V, or Ni are studied by X-ray absorption near-edge spectra (XANES) at the Fe, V, and Ni L2,3 edges and the Fe K edge. The XANES spectra are compared with those calculated with two theoretical methods. The differences in the XANES spectra of compounds containing Ni calculated by these two methods are discussed. Except for NiGa, a reasonable good agreement between theory and experiment was found for all materials. The density of states at the Fermi energy at different atomic sites are also calculated for the compounds and alloys containing Fe. © 2003 Elsevier B.V. All rights reserved.