Electronic properties and band offsets in InP(1−x−y)BixNy

Abstract

Electronic band structures of [Formula: see text] have been theoretically studied by using Conduction Band Anticrossing (CBAC) model and Valence Band Anticrossing model (VBAC) in conjugation with [Formula: see text] method. This mathematical model’s manifestation is a 16 band Hamiltonian matrix. Our results reveal that the addition of Bi and N to InP causes substantial reduction of band gap, and the conduction band offset is greater than valence band offset. It can provide better electronic confinement and improve the temperature-insensitive characteristics for optoelectronic devices. Material compositions and band gap under various strain conditions have also been added in our calculation. By adjusting the concentration of Bi and N, we obtained a strong control of conduction band edge and valence band edge, which increases the flexibility of design InPBiN/InP structures.