Abstract
Valence electrons that move in the crystals feel a periodic potential U(r) = U(r + R) (6.1) for all vectors R of the direct lattice. The potential1 is due to the effect of the ion cores and all other electrons. Thus a serious many-body problem is present. In principle, the band structure can be calculated from the periodic arrangements of the atoms and their atomic order number. We note that for some problems, e.g. the design of optimal solar cells, a certain band structure is known to be ideal and a periodic atomic arrangement, i.e. a material, needs to be found that generates the optimal band structure. This problem is called the inverse band structure problem.
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Grundmann, M. (2010). Band Structure. In: The Physics of Semiconductors. Graduate Texts in Physics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-13884-3_6
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