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- W2725131694 abstract "Abstract Electronic band structure calculations are frequently parametrized in tight-binding form; the latter representation is then often used to study electron correlations. In this paper we provide a derivation of the tight-binding model that emerges from the exact solution of a particle bound in a periodic one-dimensional array of square well potentials. We derive the dispersion for such a model, and show that an effective next-nearest-neighbour 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-neighbour” hopping term in the dispersion. We argue that this does not necessarily imply next-nearest-neighbour tunneling; this assertion is demonstrated 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. A next-nearest-neighbour tunneling parameter is required for an accurate description even though there are no such neighbours." @default.
- W2725131694 created "2017-07-14" @default.
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- W2725131694 date "2017-12-06" @default.
- W2725131694 modified "2023-09-27" @default.
- W2725131694 title "The tight-binding formulation of the Kronig-Penney model" @default.
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- W2725131694 doi "https://doi.org/10.1038/s41598-017-17223-2" @default.
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