Electronic Structure of Th7Ru3 |
| M. Sahakyan and V.H. Tran
Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO. Box 1410, 50-422 Wrocław, Poland |
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| We report the results of scalar and fully relativistic electronic structure calculations for nonsuperconducting Th7Ru3, using the full-potential linearized-muffin-thin-orbital and full-potential linearized augmented-plane wave methods. The obtained data, including electronic band structures, density of states, Fermi surfaces and electron localization function, reveal the presence of anisotropic spin-orbit coupling but its strength, exposed by splitting energies of the order of 10-40 meV, is much weaker as compared to those of Th7Fe3 or Th7Co3 superconductors. Moreover, the lack of Van Hove singularity near the Fermi level underscores a key point of the non-occurrence of superconductivity in the studied compound. |
DOI: 10.12693/APhysPolA.133.751 PACS numbers: 71.15.Mb, 71.15.Rf, 71.18.+y, 71.20.-b, 74.20.Mn,74.20.Rp |