Electronic Structure of Th₇Ru₃

• Authors: M. Sahakyan , V. Tran
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

71.15.Mb; 71.15.Rf; 71.18.+y; 71.20.-b; 74.20.Mn; 74.20.Rp

Discipline

• 74.20.Rp: Pairing symmetries (other than s-wave)
• 74.20.Mn: Nonconventional mechanisms
• 71.18.+y: Fermi surface: calculations and measurements; effective mass, g factor
• 71.20.-b: Electron density of states and band structure of crystalline solids
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 71.15.Rf: Relativistic effects[see also 31.30.J- Relativistic and quantum electrodynamic (QED) effects in atoms, molecules, and ions]

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2018
• Volume: 133
• Issue: 3
• Pages: 751-754

Dates

published

2018-03

Contributors

author

M. Sahakyan

• Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO. Box 1410, 50-422 Wrocław, Poland

author

V. Tran

• Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO. Box 1410, 50-422 Wrocław, Poland

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Identifiers

DOI

10.12693/APhysPolA.133.751