Electronic structure of YM2P2 (M=Ni, Ru, Pd) compounds

The total and partial electron densities of states of YM2P2 (M = Ni, Ru, Pd ) compounds have been calculated using the linear muffin tin orbital (LMTO) method. The calculated X-ray emission spectra are presented and compared w ith measured ones. The s-states of P hybridise with the p-states of Y and t ransition elements and contribute to the bottom of the valence band. In the middle part of the valence band, p-states of the components are located, w hile near the Fermi level d-states of transition elements dominate. The YM2 P2 compounds are characterised by the significant increase of the effective filling number of electron d-states of Y, compare with the elemental Y. (C ) 1999 Published by Elsevier Science S.A. All rights reserved.