Electronic Band Structure of Ru₃Sn₇

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

Abstracts

EN

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.

Keywords

EN

71.15.Ap; 31.15.A-; 74.20.Pq

Discipline

• 71.15.Ap: Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
• 31.15.A-: Ab initiocalculations
• 74.20.Pq: Electronic structure calculations(for methods of electronic structure calculations, see 71.15.-m)

• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 127
• Issue: 2
• Pages: 303-305

Dates

published

2015-02

Contributors

author

M. Sahakyan

• Institute for Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław, Poland

author

V. Tran

• Institute for Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław, Poland

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Identifiers

DOI

10.12693/APhysPolA.127.303