Experimental and theoretical study of the electronic structure of Fe3Al, Fe2VAl, and Fe2VGa -: art. no. 205203

The electronic structures of Fe3Al, Fe2VAl, and Fe2VGa are studied by x-ray absorption near-edge spectroscopy (XANES) at the Fe and V K edges. The experimental XANES spectra are compared with those obtained from first-principles electronic-structure calculations. The experimental XANES features for these intermetallic compounds reflect the Fe- and V-p unoccupied partial density of states. The magnetic moments and the density of states at the Fermi energy at different atomic sites and spins are calculated and compared with experimental and previous theoretical values.