Electronic Band Structure of Ru3Sn7

The rst-principle band structure calculations for Ru3Sn7 and Mo3Sb7 were carried out using the full-potential linearized mun tin orbital method.It was shown that the valence band contribution is mainly due to the 4d electrons of Ru(Mo), while the contribution from the 5p-Sn(Sb) orbitals is relatively small.Furthermore, the 4d and 5p orbitals located near the Fermi level have the non-hybridized characters, thus presumably contributing independently to the total density of states.A comparison of the density of states of two compounds reveals an essential dierence in the structures and magnitudes.We estimated the mass enhancement factor and Stoner product and discussed these dierences regarding to electronic and magnetic behaviour of these compounds.