No abstract

The band-anticrossing (BAC) model has been widely applied to analyse the electronic structure of dilute nitride III-V-N alloys such as GaN x As 1−x . The BAC model describes the strong band gap bowing observed at low N composition in GaN x As 1−x in terms of an interaction between the GaAs host matrix conduction band edge and a higher lying band of localized N resonant states. In practice, replacing As by N introduces a range of N-related defect levels, associated with isolated N atoms, N-N pairs and larger clusters of N atoms. We show that the effect of such defect levels on the alloy conduction band structure is strongly dependent on the relative energy of the defect levels and the host conduction band edge. We first consider GaN x As 1−x , where we show that the unexpectedly large electron effective mass and gyromagnetic ratio, and their non-monotonic variation with x, are due to hybridization between the conduction band edge and specific nitrogen states close to the band edge. The N-related defect levels lie below the conduction band edge in GaN x P 1−x . We must therefore explicitly treat the interaction between the higher lying GaP host conduction band minimum and defect states associated with a random distribution of N atoms in order to obtain a good description of the lowest conduction states in disordered GaPN alloys. Turning to other alloys, N-related defect levels should generally lie well above the conduction band minimum in InNSb, with the band dispersion of InNSb then well described by a two-level BAC model. Both InP and InAs are intermediate between InSb and GaAs. By contrast, we calculate that N-related defect levels lie close to the conduction band minimum in GaNSb, and will therefore strongly perturb the lowest conduction states in this alloy. Overall, we conclude that the BAC model provides a good qualitative explanation of the electronic properties of dilute nitride alloys, but that it is in many cases necessary to include the details of the distribution of N-related defect levels to obtain a quantitative understanding of the conduction band structure in dilute nitride alloys.

Deuterium (hydrogen) incorporation in dilute nitrides (e.g., GaAsN and GaPN) modifies dramatically the crystal's electronic and structural properties and represents a prominent example of defect engineering in semiconductors. However, the microscopic origin of D-related effects is still an experimentally unresolved issue. In this paper, we used nuclear reaction analyses and/or channeling, high resolution x-ray diffraction, photoluminescence, and x-ray absorption fine structure measurements to determine how the stoichiometric [D]/[N] ratio and the local structure of the N-D complexes parallel the evolution of the GaAsN electronic and strain properties upon irradiation and controlled removal of D. The experimental results provide the following picture: (i) Upon deuteration, nitrogen-deuterium complexes form with [D]/[N]=3, leading to a neutralization of the N electronic effects in GaAs and to a strain reversal (from tensile to compressive) of the N-containing layer. (ii) A moderate annealing at 250 degrees C gives [D]/[N]=2 and removes the compressive strain, therefore the lattice parameter approaches that of the N-free alloy, whereas the N-induced electronic properties are still passivated. (iii) Finally, annealings at higher temperature (330 degrees C) dissolve the deuterium-nitrogen complexes, and consequently the electronic properties and the tensile strain of the as-grown GaAsN lattice are recovered. Therefore, we conclude that the complex responsible for N passivation contains two deuterium atoms per nitrogen atom, while strain reversal in deuterated GaAsN is due to a complex with a third, less tightly bound deuterium atom