Abstract

The total and partial electron densities of states of YM 2P 2 (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 with measured ones. The s-states of P hybridise with the p-states of Y and transition 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, while near the Fermi level d-states of transition elements dominate. The YM 2P 2 compounds are characterised by the significant increase of the effective filling number of electron d-states of Y, compare with the elemental Y.

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