Abstract
The molecular-orbital method is used to examine the influence of nth nearest-neighbor interactions on the 2-band electron energy spectra of diatomic crystals. The nth order interaction is expressed asρn, ρ being the next-nearest-neighbor parameter. The two main results are the vanishing of the band widths at certain values of ρ, and the crossing of the two bands in the sp-orbital model case. The importance of such band crossing to the existence of Shockley-type surface states is pointed out, and the analogy is drawn between electron and phonon calculations.
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