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

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

References in corpus (4)

• Wave-packet dynamics in slowly perturbed crystals: Gradient corrections and Berry-phase effects
• Band structure of semimagnetic Hg1-yMnyTe quantum wells
• General boundary conditions for the envelope function in multiband k.p model
• First-principles envelope-function theory for lattice-matched semiconductor heterostructures

Cited by in corpus (5)

• Valence-band mixing in first-principles envelope-function theory
• Theory of electrons, holes and excitons in GaAs polytype quantum dots
• Atomistic $k.p$ theory
• Band structure of n- and p-doped core-shell nanowires
• Landau level transitions in InAs/AlSb/GaSb quantum wells