The dielectric function of diamond in a covalent bonding model

The static longitudinal dielectric function of diamond has been calculated using the formula derived from linear response theory in the Hartree approximation. The energies and wavefunctions used in this expression are obtained by diagonalizing the model Hamiltonian introduced by Weaire and Thorpe (1971). The two parameters in this model are fitted to the experimental values of the indirect band gap and the valence bandwidth. Results are given for the wavevector dependence in the Delta , Sigma and Lambda directions. Effects due to local variations of the microscopic electric field shift the value of the macroscopic dielectric constant at q=O down by 14%, which brings it in good agreement with experiment.

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