Electronic Structure of Trigonal and Amorphous Se and Te and the Non-Empirical Calculation of Structural Properties

  • David W. Bullett
Part of the Springer Series in Solid-State Sciences book series (SSSOL, volume 13)


The nature of the covalent bond permits a localized description of electronic and structural properties of crystalline and amorphous semiconductors [l]. Studies of lattice dynamics [2,3] show that atomic restoring forces can be described quite well in terms of a few valence force constants suitably chosen to fit neutron scattering data, but there have been few attempts to calculate such force fields in solids from first principles. Similarly, molecular-orbital schemes have become popular in which the interactions between orbitals localized on atomic or bonding sites are selected empirically to fit photo-emission and optical data or the results of ab initio calculations. This report attempts to demonstrate that the electronic and structural properties of Se and Te may be calculated in a very simple way, starting from the electron wave functions and energy levels of the constituent atoms.


Electron Wave Function Amorphous Semiconductor Phonon Dispersion Curve Valence Force Field Madingley Road 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    D.W. Bullett and M.J. Kelly, J. Non-Cryst. Solids 32, 225 (1979)ADSCrossRefGoogle Scholar
  2. 1a.
    V. Heine, D.W. Bullett, R. Haydock and M.J. Kelly, Solid State Physics 35 (1979).Google Scholar
  3. 2.
    W.D. Teuchert, R. Geick, G. Landwehr, H. Wendel and W. Weher, J. Phys. C 8, 3725 (1975)ADSCrossRefGoogle Scholar
  4. 2a.
    H. Wendel, W. Weber and W.D. Teuchert, J. Phys. C 8, 3737 (1975)ADSCrossRefGoogle Scholar
  5. 2b.
    H. Wendel, J. Phys. C 9, 445 (1976).ADSCrossRefGoogle Scholar
  6. 3.
    R.M. Martin, G. Lucovsky and K. Helliwell, Phys. Rev. B13, 1383 (1976).ADSGoogle Scholar
  7. 4.
    D.W. Bullett, Phys. Stat. Sol. (b) 77, 645 (1976)ADSCrossRefGoogle Scholar
  8. 4a.
    D.W. Bullett, Phil.Mag. 32, 1063 (1975).ADSCrossRefGoogle Scholar
  9. 5.
    N.J. Shevchik, M. Cardona and J. Tejeda, Phys. Rev. 1B8, 2833 U973).Google Scholar
  10. 6.
    D.W. Bullett, Phys. Rev. B14, 1683 (1976).ADSGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg New York 1979

Authors and Affiliations

  • David W. Bullett
    • 1
  1. 1.Cavendish LaboratoryCambridgeEngland

Personalised recommendations