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A Molecular Dynamics Study of the Low-Temperature Structure of RbC24 Stage-2 Graphite Intercalation Compound

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Computer Simulation Studies in Condensed-Matter Physics IV

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 72))

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Abstract

We present a preliminary report of the first systematic microcanonical Molecular Dynamics study of the low temperature phase of Rb ions intercalated into strongly corrugated graphite host layers in a Stage-2 Graphite Intercalation Compound. The ions interact through screened Coulomb repulsion. We calculate the pair correlation function, the static structure factor, and present snapshots of the low temperature Rb lattice. Our results are discussed and compared with the experimental work of Clarke et al on the closely related CsC24 system.

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References

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  12. H. Seong, S. Sen, T. Cagin and S.D. Mahanti, in preparation

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Author information

Authors and Affiliations

  1. Department of Physics and Astronomy and Center for Fundamental Materials Research, Michigan State University, East Lansing, MI, 48824-1116, USA

    S. Sen, H. Seong & S. D. Mahanti

  2. Molecular Simulations Inc, 199 South Robles Ave., Suite 540, Pasadena, CA, 91101, USA

    T. Cagin

  3. Beckman Institute, California Institute of Technology, Pasadena, CA, 91125, USA

    T. Cagin

Authors
  1. S. Sen
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  2. T. Cagin
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  3. H. Seong
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  4. S. D. Mahanti
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Editor information

Editors and Affiliations

  1. Center for Simulation Physics, The University of Georgia, Athens, GA, 30602, USA

    David P. Landau Ph. D , K. K. Mon Ph. D  & Heinz-Bernd Schüttler Ph. D ,  & 

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© 1993 Springer-Verlag Berlin Heidelberg

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Sen, S., Cagin, T., Seong, H., Mahanti, S.D. (1993). A Molecular Dynamics Study of the Low-Temperature Structure of RbC24 Stage-2 Graphite Intercalation Compound. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics IV. Springer Proceedings in Physics, vol 72. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84878-0_17

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  • DOI: https://doi.org/10.1007/978-3-642-84878-0_17

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-84880-3

  • Online ISBN: 978-3-642-84878-0

  • eBook Packages: Springer Book Archive

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