Density of States and Group Velocity Calculations for SiO2

  • E. Gnani
  • S. Reggiani
  • M. Rudan
Conference paper


Ab initio calculations of the electron group velocity for SiO2 are worked out. The conduction bands are calculated by means of two different techniques: Hartree-Fock (HF) and Density-Functional Theory (DFT). Eight energy bands have been used to calculate the density of states and group velocity for the energies of interest. Two different crystal structures of SiO2, built-up by the same fundamental unit, namely, the SiO4 tetrahedron, are investigated: they are the a-quartz, and the ß-cristobalite.

Fig. 3: GV vs. energy for a-quartz and ß-cristobalite. Solid lines: HF; dashed lines: DFT; circles: parabolic-band approximation.


Group Velocity Fundamental Unit Boltzmann Transport Equation SiO4 Tetrahedron Lower Conduction Band 
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Copyright information

© Springer-Verlag Wien 2001

Authors and Affiliations

  • E. Gnani
  • S. Reggiani
  • M. Rudan

There are no affiliations available

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