Density-Functional Theory of the Energy Gap
Abstract
The energy-band gap of an insulator is obtained from the eigenvalues of the one-particle density-functional equation for the ground state and a finite correction due to the discontinuity of the functional derivative of the exchange and correlation energy. This correction is expressed in terms of the improper self-energy and the density-functional exchange-correlation potential. It is evaluated for a two-plane-wave model including exchange only.
- Publication:
-
Physical Review Letters
- Pub Date:
- November 1983
- DOI:
- 10.1103/PhysRevLett.51.1888
- Bibcode:
- 1983PhRvL..51.1888S
- Keywords:
-
- 71.45.Gm;
- 71.25.Cx;
- Exchange correlation dielectric and magnetic response functions plasmons