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Electron Correlations and Materials Properties pp 499–507Cite as

Pressure-Induced Phase Transitions In Alkali Halides: Hf and Dft Study

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Abstract

The alkali halides have been, due to their simplicity. a well visited playground in which new theories and experimental techniques have been tested. “Their structural, elastic, and therntueheuiieal properties are well known. They generally crystallize under ambient. conditions in B1 (fcc) or B2 (bcc) phase and undergo pressure-and temperature-induced first order transitions (sec Ref. I for an original review). The pressure-induced phase t ransit.ion between B1 and B2 phase is particularly well docnntcnted2and this process is a subject of ourab-initioHartrec-Nock (HF) and den-sity Functional (DFTT) Kohn-Sham (KS)3study.

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Authors and Affiliations

  1. Department of Physical and Organic Chemistry, Jožef Stefan Institute, Jamova cesta 39, SI-1000, Ljubljana, SLOVENIA

    Tomaž Sušnik & Aleš Zupan

Authors
  1. Tomaž Sušnik
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  2. Aleš Zupan
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Editor information

Editors and Affiliations

  1. Lawrence Livermore National Laboratory, Livermore, California

    A. Gonis

  2. California State University—Northridge, Northridge, California

    N. Kioussis

  3. U.S. Army Research Office, Research Triangle Park, North Carolina, USA

    M. Ciftan

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Sušnik, T., Zupan, A. (1999). Pressure-Induced Phase Transitions In Alkali Halides: Hf and Dft Study. In: Gonis, A., Kioussis, N., Ciftan, M. (eds) Electron Correlations and Materials Properties. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4715-0_31

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  • DOI: https://doi.org/10.1007/978-1-4615-4715-0_31

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-7136-6

  • Online ISBN: 978-1-4615-4715-0

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