3pEnergy Band in Lithium Chloride

The tight-binding approach is employed to obtain the structure of the $3p$ ${\mathrm{Cl}}^{-}$ valence band in LiCl. This is studied as a function of wave vector in selected directions of high symmetry in the reciprocal lattice. Results are obtained which include spin-orbit effects. The valence band is found to have a width of 1.2 eV when spin-orbit effects are neglected and a width of 1.3 eV when the spin-orbit effects are included.