The effect and nature of N–H complexes in the control of the dominant photoluminescence transitions in UV-hydrogenated GaInNAs

Abstract

A study of certain defects in GaInNAs, and their passivation. The passivation process could lead to more efficient photovoltaic devices.

Opposite Hydrogen Behaviors in GaAsN and InAsN Alloys: Band Gap Opening Versus Donor Doping

“…As an exception, also the Ga–H bc –N complexes do not restore the host energy gap. All together, these results fully agree with those reported in two previous papers, , showing that the recovery of the InGaAs energy gap is achieved only by forming di-hydrogen complexes, while N–H bc complexes do not produce such an effect.…”

An Investigation of the Role of Radiative and Nonradiative Recombination Processes in InAs/GaAs $_{1-x}$ Sb $_{x}$ Quantum Dot Solar Cells

“…The increased contribution of non-radiative centers at elevated temperatures is likely due to the ionization of localized impurities on these centers that reveal deleterious trap states at higher tempratures [24]. The competing process of thermally activated non-radiative recombination and thermal escape of carriers from the QDs results in a complex Jsc behavior as illustrated by the non-monotonic behavior of Jsc in Figure 4(c).…”

Selective Effects of the Host Matrix in Hydrogenated InGaAsN Alloys: Toward an Integrated Matrix/Defect Engineering Paradigm

“…N-H complexes in the In 0.21 Ga 0.79 As 0.975 N 0.025 alloy were investigated by applying two simplifying assumptions: i) 4Ga-N and 4In-N clusters were considered as representatives of Ga-rich and In-rich N environments, respectively, by disregarding clusters of intermediate composition, and ii) the as-grown and thermally annealed samples of the same alloy were simulated by two "extreme" models, characterized by the presence of 4Ga-N clusters only and 4In-N clusters only, respectively, in an ideal In 0.20 Ga 0.80 As 0.97 N 0.03 alloy (details in Section S1, Supporting Information). Driven by previous studies on hydrogenated GaAs 1−x N x , [1,[4][5][6]19] InAs 1−x N x , [15] and In y Ga 1−y As 1−x N x , [20,21] as well as In 1−x Ga x N alloys, [22] we investigated several complexes coming from the interactions of H atoms with host and N atoms. Such investigations concerned geometries, formation energies H f , [23] formation reactions and DFT Heyd-Scuseria-Ernzerhof hybrid functional (DFT-HSE) [24] energy gaps.…”

“…H 2 * complexes were recently proposed in InGaAsN. [20,21] In InGaAsN, given the predominance of H bc (+) species, both C 2v and H 2 * complexes can initially form only in the +2 charge state and then possibly acquire free electrons and modify their geometries through H atom re-orientations. Therefore, we investigated the +2, +1, and 0 charge states of these complexes for both 4Ga-N and 4In-N clusters, see Section S3, Supporting Information.…”

“…Driven by previous studies on hydrogenated GaAs 1− x N x , [ 1,4–6,19 ] InAs 1− x N x , [ 15 ] and In y Ga 1− y As 1− x N x , [ 20,21 ] as well as In 1− x Ga x N alloys, [ 22 ] we investigated several complexes coming from the interactions of H atoms with host and N atoms. Such investigations concerned geometries, formation energies H f , [ 23 ] formation reactions and DFT Heyd–Scuseria–Ernzerhof hybrid functional (DFT‐HSE) [ 24 ] energy gaps.…”