Electronic Band Structure of Ru3Sn7
M. Sahakyan and V.H. Tran
Institute for Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław, Poland
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The first-principle band structure calculations for Ru3Sn7 and Mo3Sb7 were carried out using the full-potential linearized muffin 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 difference in the structures and magnitudes. We estimated the mass enhancement factor and Stoner product and discussed these differences regarding to electronic and magnetic behaviour of these compounds.

DOI: 10.12693/APhysPolA.127.303
PACS numbers: 71.15.Ap, 31.15.A-, 74.20.Pq