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

摘要

A small change of basis in k.p theory yields a Kane-like Hamiltonian for theconduction and valence bands of narrow-gap semiconductors that has no spurioussolutions, yet provides an accurate fit to all effective masses. The theory isshown to work in superlattices by direct comparison with first-principlesdensity-functional calculations of the valence subband structure. Areinterpretation of the standard data-fitting procedures used in k.p theory isalso proposed.