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Combined interpolation scheme for calculating the electron energy spectra of alloys of 3d transition metals

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Abstract

A model Hamiltonian is used as the basis of a combined interpolation scheme for calculating the spectra of ordered alloys of 3d transition elements with the CsCl and Cu3Au structures. The parameters of the model Hamiltonian are found for the alloys FeCo and Co3Ti and the histograms of the density of states are calculated at 165 points in 1/48-th part of the Brillouin zone. The results are evidence of the effectiveness of the use of such a combined interpolation scheme in calculating the integrated characteristics of the electron structure of alloys with large numbers of atoms in a unit cell.

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Authors and Affiliations

  1. V. D. Kuznetsov Siberian Physicotechnical Scientific-Research Institute at the State University, Tomsk

    V. I. Simakov, A. A. Tukhfatullin & V. F. Nyavro

Authors
  1. V. I. Simakov
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  2. A. A. Tukhfatullin
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  3. V. F. Nyavro
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Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 65–70, June, 1980.

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Simakov, V.I., Tukhfatullin, A.A. & Nyavro, V.F. Combined interpolation scheme for calculating the electron energy spectra of alloys of 3d transition metals. Soviet Physics Journal 23, 518–522 (1980). https://doi.org/10.1007/BF00892321

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  • DOI: https://doi.org/10.1007/BF00892321

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