The tight-binding formulation of the Kronig-Penney model

Abstract

We provide a derivation of the tight-binding model that emerges from a full consideration of a particle bound in a periodic one-dimensional array of square well potentials, separated by barriers of height $V_0$ and width $b$. We derive the dispersion for such a model, and show that an effective next-nearest-neighbor hopping parameter is required for an accurate description. An electron-hole asymmetry is prevalent except in the extreme tight-binding limit, and emerges through a "next-nearest neighbor" hopping term in the dispersion. We argue that this does not necessarily imply next-nearest-neighbor tunneling; this is done by deriving the transition amplitudes for a two-state effective model that describes a double-well potential, which is a simplified precursor to the problem of a periodic array of potential wells.