The electronic structure of a relaxed nanocrystal with an edge dislocation was calculated in the tight-binding approximation by using a procedure which was self-consistent with regard to the effective charges and dipole moments of ions. Total and partial local densities of states were calculated, and the effect of relaxation and polarization upon the single-electron energy spectrum was calculated.

Electronic Structure of a KCl Nanocrystal with an Edge Dislocation. Y.K.Timoshenko, V.A.Shunina: Physics of the Solid State, 2002, 44[5], 888-92