Electronic properties of Nd3Co13B2 compound

摘要

New results of the electronic properties of the Nd3CO13B2 compound are reported. Electronic structure of this ternary compound, crystallizing in the hexagonal La3Ni13B2 structure was studied by X-ray photoelectron spectroscopy (XPS) and ab initio calculations. Both the core levels and the valence band were investigated. The XPS valence band is compared with the one obtained by ab initio calculations and is determined mainly by the Co(3d) and Nd(4f) states. The peaks' positions are in good agreement with binding energies of a metallic Nd and Co. The band structure calculations show that the magnetic moments located on Co atoms are strongly dependent on their local environments. The values vary between 0.8 and 1.6 mu(B)/atom. (C) 2004 Elsevier Ltd. All rights reserved.