Skip to main content
SpringerLink
Log in

A KKR Method for Two-Dimensional Lattices and Its Application to Band Calculation

  • Chapter
Book cover Computational Methods in Band Theory

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

Abstract

A method of band calculation which is a kind of combination of KKR and plane-wave expansion is described. A Bloch function is expanded into plane waves only on planes between atomic layers. Matrix elements between these plane waves are calculated from the scattering property of the atomic layers by means of the KKR method modified to a two-dimensional form. Apart from the obvious possibilities of application to crystals with surfaces (e.g., LEED) or interfaces, there are several characteristics which appear to favor this method in proper band calculation.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Kambe, K., Z.Naturforschg. 22a, 322 (1967)

    Google Scholar 

  2. Kambe, K., Z.Naturforschg. 23a, 1280 (1968)

    Google Scholar 

  3. McRae, E.G., Surface Sci. 11, 479 (1968)

    Article  Google Scholar 

  4. Marcus, P.M. and D.W.Jepsen, Phys.Rev.Letters 20, 925, (1968)

    Article  Google Scholar 

  5. Jennings, P.J. and E.G.McRae, Surface Sci. in press

    Google Scholar 

  6. Mattheiss, L.F., Phys.Rev. 139, A 1893 (1965)

    Article  Google Scholar 

  7. Jennings, P.J., private communication

    Google Scholar 

  8. Williams, A., private communication

    Google Scholar 

  9. Jepsen, D.W. and P.M.Marcus, this volume

    Google Scholar 

  10. Gaunt, J.A., Phil.Trans.Roy.Soc.London A 228, 151 (1929)

    Article  Google Scholar 

  11. Faddeeva, V.N. and N.M.Terentlev, Tables of Values of the Function \(w\left( z \right) = \exp \left\{ { - {z^2}} \right\}\left[ {1 + \left( {{{2i} \mathord {\left/ {\vphantom {{2i} {\sqrt \pi }}} \right. \kern-\nulldelimiterspace} {\sqrt \pi }}} \right)\smallint _o^z\exp \left\{ {{t^2}} \right\}dt} \right]\) for Complex Argument, Pergamon Press, N.Y. 1961

    Google Scholar 

  12. Kambe, K., Surface Sci. 20, 213 (1970)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, (1) Berlin 33, Faradayweg 4-6, Germany

    Kyozaburo Kambe

Authors
  1. Kyozaburo Kambe
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. IBM Thomas J. Watson Research Center, Yorktown Heights, New York, USA

    P. M. Marcus , J. F. Janak  & A. R. Williams ,  & 

Rights and permissions

Reprints and permissions

Copyright information

© 1971 Plenum Press, New York

About this chapter

Cite this chapter

Kambe, K. (1971). A KKR Method for Two-Dimensional Lattices and Its Application to Band Calculation. In: Marcus, P.M., Janak, J.F., Williams, A.R. (eds) Computational Methods in Band Theory. The IBM Research Symposia Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1890-3_33

Download citation

  • DOI: https://doi.org/10.1007/978-1-4684-1890-3_33

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-1892-7

  • Online ISBN: 978-1-4684-1890-3

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation