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Attractive Kronig-Penney Band Structures and Wave Functions

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arxiv 1905.12084 v2 pith:2PDGBPL6 submitted 2019-05-28 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords bandfunctionswavestatesattractivederivedmodelpositive-energy
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The repulsive-potential Kronig-Penney (KP) model for a one-dimensional band structure is well known. However, real metals contain positively-charged ions resulting in attractive potential wells seen by the metallic electrons. Here we consider the latter case in detail. The square-well version of the KP model is considered first, for which the band structure and wave functions for different potential-well depths are derived. Then an extended treatment of the attractive Dirac-comb version of the KP model is presented. For the nearly-free-electron case, the band structure exhibits a negative-energy band in addition to positive-energy bands. The wave functions, electron densities of states, effective masses, and group velocities are derived for the positive-energy band states. The wave functions of the negative-energy band states are also calculated and found to be quite different from the sinusoidal wave functions for the positive-energy band and band-gap states. High-degeneracy bound states are found at negative energies and their wave functions are derived.

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