M. Magnitskaya et al., SPECTROSCOPIC AND MAGNETIC-PROPERTIES OF GADOLINIUM LAVES-PHASE COMPOUNDS, Journal of electron spectroscopy and related phenomena, 68, 1994, pp. 525-529
X-ray photoemission spectra (XPS) and magnetic susceptibility of a ser
ies of isostructural Laves-phase alloys Gd(Al1-xMx)2 for M = Si, Cu, P
d, Ag, In, Pb, Sn, Ge, Sb, Ga (x less-than-or-equal-to 0.3) were exper
imentally investigated. The experimental data are compared with the re
sults of ab-initio electronic structure calculations using the selfcon
sistent scalar-relativistic spin-polarized LMTO method for dopand conc
entrations x = 0 and x = 0.25. As compared to the experimental XPS spe
ctra, calculated f-peaks of Gd are shifted significantly toward the Fe
rmi level E(F). Energetic positions of dopand d-peaks near E(F) are be
tter reproduced. The experimentally observed decrease of the paramagne
tic Curie temperature theta(p) for increasing dopand concentration x c
an be explained by a decrease of the density of states (DOS) at the Fe
rmi level E(F).