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Relativistic Effects in Solids

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Relativistic Effects in Atoms, Molecules, and Solids

Part of the book series: NATO Advanced Science Institutes Series ((NSSB,volume 87))

Abstract

Because a solid can be viewed as a collection of interacting atoms, it will exhibit all the relativistic effects known to occur in atoms. In fact, the relativistic contributions in solids arise exclusively from the atomic-like regions of space near the nucleii with the interstitial region being quite well described in a non-relativistic approximation. Thus, for those band structure techniques such as the APW, KKR and related methods which partition space into atomic like spheres and an interstitial region, it is actually possible to “switch kinematics” at the boundary as well. Such a procedural step not only tells one how to include the relativistic contributions but also how to predict their effects: they will be the atomic results only slightly modified by the differing boundary conditions. We will discuss this using simplified views of the APW and LCAO methods as examples.

Work supported by the U.S. Department of Energy and National Research Council of Canada.

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Author information

Authors and Affiliations

  1. Argonne National Laboratory, Argonne, Illinois, 60439, USA

    D. D. Koelling

  2. National Research Council, Ottawa, Canada, K1A OR6

    A. H. MacDonald

Authors
  1. D. D. Koelling
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  2. A. H. MacDonald
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Editor information

Editors and Affiliations

  1. Department of Chemistry and Theoretical Sciences Institute, Simon Fraser University, Burnaby, British Columbia, Canada

    G. L. Malli

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© 1983 Plenum Press, New York

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Koelling, D.D., MacDonald, A.H. (1983). Relativistic Effects in Solids. In: Malli, G.L. (eds) Relativistic Effects in Atoms, Molecules, and Solids. NATO Advanced Science Institutes Series, vol 87. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3596-2_11

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  • DOI: https://doi.org/10.1007/978-1-4613-3596-2_11

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-3598-6

  • Online ISBN: 978-1-4613-3596-2

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