Valence band studies of the RTX (R=Pr,Nd; T=Cu,Ag,Au; X=Ge,Sn) compounds

Abstract The valence band in the RTX (R=Pr, Nd; T=Cu, Ag, Au; X=Ge, Sn) compounds was studied by the X-ray photoemission spectroscopy. The XPS data were compared with the ones calculated using the spin-polarized tight-binding linear muffin-tin orbital (TB LMTO) method. The obtained results show that the valence bands are determined mainly by the Cu 3d, Ag 4d and Au 5d bands. The calculation of the total energy for two models of the crystal structure: an ordered of the LiGaGe-type and a disordered one of the CaIn 2 -type indicates that in the RTSn (T=Cu, Ag ,Au) compounds the LiGaGe-type structure is stable. Calculated value of the Pr magnetic moment is smaller than that of the free Pr 3+ ion value, whereas the Nd magnetic moment is equal to the free Nd 3+ ion value.