A tight-binding approach to the electronic structure of the silver halides—II: The silver iodide polymorphs

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Abstract

We have applied the modified tight binding approach developed in the first paper of this series to calculate the electronic structure of the silver iodide polymorphs. The four phases which we have investigated are the α, β and γ modifications and the high pressure polymorph having the NaCl structure. The ionicity values obtained for these different phases agree well with the values of Phillips derived from the dielectric data and the computed bandstructures are in good agreement with independent pseudopotential calculations.

References (42)

  • P.R. Prager

    Acta Cryst.

    (1974)
  • L. Pauling

    The Nature of the Chemical Bond

  • J.L. Birman

    Phys. Rev.

    (1958)
    J.L. Birman

    Phys. Rev.

    (1958)
  • Prager P. R. and Harvey G. G., to be...
  • G. Cochrane
  • C.M. Perrott
  • D.R.M. Mills
  • G.G. Harvey
  • G. Burley

    Am. Min.

    (1963)
  • L.W. Strock

    Z. Phys. Chem.

    (1934)
    L.W. Strock

    Z. Phys. Chem.

    (1936)
  • S. Hoshino

    J. Phys. Soc. Japan

    (1957)
  • G. Burley

    Acta Cryst.

    (1967)
  • C.M. Perrott et al.

    J. Chem. Phys.

    (1968)
    C.M. Perrott et al.

    J. Chem. Phys.

    (1969)
    C.M. Perrott et al.

    J. Chem. Phys.

    (1970)
  • R. Bloch et al.

    Z. Phys. Chem.

    (1931)
  • J. Fridrichsons et al.

    C.S.I.R.O. report

    (1962)
  • A.J. Majumdar et al.

    J. Phys. Chem.

    (1959)
  • L. Helmholz

    J. Phys. Chem.

    (1935)
  • G. Cochrane

    Brit. J. Appl. Phys.

    (1967)
  • D.R.M. Mills et al.

    J. Cryst. Growth

    (1970)
  • S.K. Suri et al.

    J. Cryst. Growth

    (1970)
  • J.E. Manson

    J. Phys. Chem.

    (1956)
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    Present address: Physics Department, University of Newcastle, Newcastle, N.S.W. 2308, Australia.

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