Electron structure, valence state and magnetic properties of the new ternary intermetallic compounds: experimental and theory

Abstract

High-energy spectroscopy has been used to study the electron structure and valence state of new ternary intermetallic compounds, which crystallize in the CeNiSi2, ThMn12, ThCr2Si2 and HfFe2Si2 types. The calculations of electron energy bands E(k) and partial DOS for compounds were performed by the semi relativistic linear muffin-tin orbital method (LMTO) without considerations of spin-orbit interactions. Effective filling numbers of electrons in different bands of components in R.E.M2X2 (R.E = Sc, Y, Ce, Yb; M= Fe, Co, Ni, Cu, Pd, Rh; X= P, Si) compounds have been calculated. The electron occupation of the d-states of the M atoms has a dominant influence on the degree of their hybridization. Between the experimental and calculated X-ray emission spectra R.E.M2X2 good agreement has been obtained. LIII - absorption spectra Ce and Yb in ternary YbNi4In and Ce(Yb)M4X8 compounds were obtained at 78K and 300K using a tube spectrometer equipped with an RKD-01 co-ordinate detector. The mixed valence state of Ce and Yb was obtained in the YbNiIn4 and Ce(Yb)M4Al8 compounds.