Choosing a basis that eliminates spurious solutions in k.p theory
arXiv:cond-mat/0612640 · doi:10.1103/PhysRevB.75.235331
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.
15 pages, 2 figures; v3: expanded with much new material