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Choosing a basis that eliminates spurious solutions in k.p theory

Bradley A. Foreman
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Abstract

A small change of basis in k.p theory yields a Kane-like Hamiltonian for the conduction and valence bands of narrow-gap semiconductors that has no spurious solutions, yet provides an accurate fit to all effective masses. The theory is shown to work in superlattices by direct comparison with first-principles density-functional calculations of the valence subband structure. A reinterpretation of the standard data-fitting procedures used in k.p theory is also proposed.

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Bradley A. Foreman. 2007-03-27. Choosing a basis that eliminates spurious solutions in k.p theory. https://doi.org/10.1103/physrevb.75.235331

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