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. © 1983 The American Physical Society.
CITATION STYLE
Sham, L. J., & Schl̈ter, M. (1983). Density-functional theory of the energy gap. Physical Review Letters, 51(20), 1888–1891. https://doi.org/10.1103/PhysRevLett.51.1888
Mendeley helps you to discover research relevant for your work.