Energy Band Gap in Quasi-Particle Local Density Theory,
Abstract
We present a general approach for calculating the quasiparticle excitation energies of semiconductors which includes the energy dependence of the self-energy within the density functional formalism. In silicon the zone boundary optical gaps and the valence band width are predicted very accurately while a 0.24 eV discrepancy remains in the indirect gap. In diamond the valence band width and fundamental direct and indirect gaps are within 5% of the experimental values. (Author).
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1983
- Accession Number
- ADA150496
Entities
People
- C. S. Wang
- W. E. Pickett
Organizations
- University of Maryland