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Some Remarks on Current RAPW Calculations for Silver, Molybdenum, and Vanadium

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Computational Solid State Physics

Part of the book series: The IBM Research Symposia Series ((IRSS))

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Abstract

The two parameters, width and position of the d-bands of the noble — and transition metals respond sensitively to the choice of potential. In a series of preliminary APW calculations for silver1 16 different potentials were constructed, and the corresponding band structures were compared to results of experimental work on optical properties and Fermi surface properties. The potentials examined were based on atomic orbitals obtained from Hartree-Fock, Hartree-Fock-Slater, and Dirac-Slater calculations. The amount of Slater-exchange was varied parametrically. Also Gaspar potentials with various exchange weights were included in this study.

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References

  1. N.E. Christensen, phys. stat. sol. 31, 634 (1969) and unpublished.

    ADS  Google Scholar 

  2. N.E. Christensen and B.O. Seraphin, Sol. St. Comm. 8, 1221 (1970)

    Article  ADS  Google Scholar 

  3. N.E. Christensen, Thesis, Report No. 75, Physics Laboratory I, The Technical University of Denmark

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  4. N.E. Christensen and B.O. Seraphin, Phys. Rev. B. 15. Oct. 1971

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  5. N.E. Christensen, Phys. Lett. 35A, 206 (1971)

    Article  Google Scholar 

  6. N.E. Christensen, Sol. St. Comm. 9 749 (1971)

    Article  ADS  Google Scholar 

  7. M. Garfinkel, J.J. Tieman, and W.E. Engeler, Phys. Rev. 148, 695 (1966)

    Article  ADS  Google Scholar 

  8. P.-O. Nilsson and B. Sandell, Sol. St. Comm. 8, 721 (1970)

    Article  ADS  Google Scholar 

  9. H.G. Liljenvall and A.G. Matthewson, J. Phys. C: Metal Phys. Suppl. No. 3, 341 (1970)

    ADS  Google Scholar 

  10. B.R. Cooper, E.L. Kreiger, and B. Segall, Phys. Rev. B4, 1734 (1971)

    Article  ADS  Google Scholar 

  11. L.F. Mattheiss, Phys. Rev. 134, A970 (1964)

    Article  ADS  Google Scholar 

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Author information

Authors and Affiliations

  1. Physics Laboratory I, The Technical University of Denmark, DK-2800, Lyngby, Denmark

    Niels Egede Christensen

Authors
  1. Niels Egede Christensen
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Editor information

Editors and Affiliations

  1. Large-Scale Scientific Computations Department, IBM Research Laboratory, San Jose, California, USA

    Frank Herman (Symposium Chairman), Norris W. Dalton  & Thomas R. Koehler (Symposium Chairman),  & 

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© 1972 Plenum Press, New York

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Christensen, N.E. (1972). Some Remarks on Current RAPW Calculations for Silver, Molybdenum, and Vanadium. In: Herman, F., Dalton, N.W., Koehler, T.R. (eds) Computational Solid State Physics. The IBM Research Symposia Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1977-1_11

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  • DOI: https://doi.org/10.1007/978-1-4684-1977-1_11

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-1979-5

  • Online ISBN: 978-1-4684-1977-1

  • eBook Packages: Springer Book Archive

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