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

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

2006-12-27

arxiv.org/abs/cond-mat/0612640v3

Phys. Rev. B 75, 235331 (2007)

Physics

Condensed Matter

Materials Science

15 pages, 2 figures; v3: expanded with much new material

Scientific paper

10.1103/PhysRevB.75.235331

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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