Choosing a basis that eliminates spurious solutions in kp theory

Abstract

A small change of basis in kp 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 kp theory is also proposed. © 2007 The American Physical Society.