Electronic states of III–V and II–VI alloys calculated by IQB theory

The electronic states of compound semiconductor (III–V and II–VI) alloys are calculated by the recently proposed interacting quasi-band (IQB) theory. Combining with the sp 3 (s*) empirical tight-binding model, quasi-Hamiltonian matrix facilitates the calculation of the conduction and valence bands of general alloys, A 1-x B x D (AD 1-y F y ) for arbitrary concentration x (y) under a unified scheme. The concentration dependence of the electronic bands, including midgap states, is discussed in particular attention to constituent materials, lattice structure (zincblend or wurtzite), and substitution type (anion or cation).