Theoretical study of InN/GaN short period superlattices to mimic disordered alloys

Ribeiro, Mauro C. C.; Marques, Marcelo

doi:10.1063/1.4882879

Cited by 14 publications

(3 citation statements)

References 37 publications

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“…Considerable efforts have already been made for understanding the electronic band structure of III–V nitride alloys (InGaN, AlGaN, and AlInN) and SLs (InN/GaN and GaN/AlN) . However, there are few reports in the open literature on the bandgap and on the synthesis of InN/AlN SLs.…”

Section: Introductionmentioning

confidence: 99%

First‐Principles Calculation of Bandgaps of Al_1−xIn_xN Alloys and Short‐Period Al_1−xIn_xN/Al_1−yIn_yN Superlattices

Kawamura

Fujita

Hamaji

et al. 2019

Physica Status Solidi (b)

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Bandgaps of AlInN alloys, short‐period InN/AlN superlattices (SLs), and short‐period AlInN alloy SLs are calculated using first‐principles calculations with the pseudopotential self‐interaction correction method. The dependence of these bandgaps on the composition and thickness of the SLs and the influence of strain are investigated. It is found that the bandgaps of the InN/AlN SLs depend on both the composition and thickness of the SLs. The maximum value of the bandgap equal to 2.56 eV is obtained for 1InN/4AlN SLs. The bandgaps of AlInN alloy SLs decrease with an increase in In content, and they cover the whole range between the values of AlN and InN. The bandgaps of InN/AlN SLs lattice‐matched to AlN are smaller than those of free‐standing InN/AlN SLs.

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Section: Introductionmentioning

confidence: 99%

First‐Principles Calculation of Bandgaps of Al_1−xIn_xN Alloys and Short‐Period Al_1−xIn_xN/Al_1−yIn_yN Superlattices

Kawamura

Fujita

Hamaji

et al. 2019

Physica Status Solidi (b)

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“…Ultra-thin In x Ga 1−x N/GaN quantum wells have concentrated significant interest for use in band-gap engineering [1][2][3][4][5]. Such quantum wells can, in principle, accommodate a high indium content while remaining pseudomorphic.…”

Section: Introductionmentioning

confidence: 99%

Strain-Induced Band Gap Variation in InGaN/GaN Short Period Superlattices

et al. 2023

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The use of strained substrates may overcome indium incorporation limits without inducing plastic relaxation in InGaN quantum wells, and this is particularly important for short-period InGaN/GaN superlattices. By incorporating elastic strain into these heterostructures, their optoelectronic behavior is modified. Our study employed density functional theory calculations to investigate the variation in the band-gap energy of short-period InGaN/GaN superlattices that comprise pseudomorphic quantum wells with a thickness of just one monolayer. Heterostructures with equibiaxially strained GaN barriers were compared with respective ones with relaxed barriers. The findings reveal a reduction of the band gap for lower indium contents, which is attributed to the influence of the highly strained nitrogen sublattice. However, above mid-range indium compositions, the situation is reversed, and the band gap increases with the indium content. This phenomenon is attributed to the reduction of the compressive strain in the quantum wells caused by the tensile strain of the barriers. Our study also considered local indium clustering induced by phase separation as another possible modifier of the band gap. However, unlike the substrate-controlled strain, this was not found to exert a significant influence on the band gap. Overall, this study provides important insights into the behavior of the band-gap energy of strained superlattices toward optimizing the performance of optoelectronic devices based on InGaN/GaN heterostructures.

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“…The ultra-thin QWs can sustain large elastic strains without plastic relaxation, and reduce the QCSE. Theoretical investigations have shown that the strain and bandgap of In x Ga 1− x N/GaN SLs can be adjusted through the QW and barrier thicknesses 7 – 11 . In addition to providing bandgap tunability, MQW SLs allow for strain transfer to the barriers, and may reduce the compositional fluctuations and indium clustering that significantly affect the bandgap 12 , 13 .…”

Section: Introductionmentioning

confidence: 99%

Substitutional synthesis of sub-nanometer InGaN/GaN quantum wells with high indium content

Vasileiadis

Lymperakis

Adikimenakis

et al. 2021

Sci Rep

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InGaN/GaN quantum wells (QWs) with sub-nanometer thickness can be employed in short-period superlattices for bandgap engineering of efficient optoelectronic devices, as well as for exploiting topological insulator behavior in III-nitride semiconductors. However, it had been argued that the highest indium content in such ultra-thin QWs is kinetically limited to a maximum of 33%, narrowing down the potential range of applications. Here, it is demonstrated that quasi two-dimensional (quasi-2D) QWs with thickness of one atomic monolayer can be deposited with indium contents far exceeding this limit, under certain growth conditions. Multi-QW heterostructures were grown by plasma-assisted molecular beam epitaxy, and their composition and strain were determined with monolayer-scale spatial resolution using quantitative scanning transmission electron microscopy in combination with atomistic calculations. Key findings such as the self-limited QW thickness and the non-monotonic dependence of the QW composition on the growth temperature under metal-rich growth conditions suggest the existence of a substitutional synthesis mechanism, involving the exchange between indium and gallium atoms at surface sites. The highest indium content in this work approached 50%, in agreement with photoluminescence measurements, surpassing by far the previously regarded compositional limit. The proposed synthesis mechanism can guide growth efforts towards binary InN/GaN quasi-2D QWs.

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Theoretical study of InN/GaN short period superlattices to mimic disordered alloys

Cited by 14 publications

References 37 publications

First‐Principles Calculation of Bandgaps of Al_1−xIn_xN Alloys and Short‐Period Al_1−xIn_xN/Al_1−yIn_yN Superlattices

First‐Principles Calculation of Bandgaps of Al_1−xIn_xN Alloys and Short‐Period Al_1−xIn_xN/Al_1−yIn_yN Superlattices

Strain-Induced Band Gap Variation in InGaN/GaN Short Period Superlattices

Substitutional synthesis of sub-nanometer InGaN/GaN quantum wells with high indium content

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Theoretical study of InN/GaN short period superlattices to mimic disordered alloys

Cited by 14 publications

References 37 publications

First‐Principles Calculation of Bandgaps of Al1−xInxN Alloys and Short‐Period Al1−xInxN/Al1−yInyN Superlattices

First‐Principles Calculation of Bandgaps of Al1−xInxN Alloys and Short‐Period Al1−xInxN/Al1−yInyN Superlattices

Strain-Induced Band Gap Variation in InGaN/GaN Short Period Superlattices

Substitutional synthesis of sub-nanometer InGaN/GaN quantum wells with high indium content

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First‐Principles Calculation of Bandgaps of Al_1−xIn_xN Alloys and Short‐Period Al_1−xIn_xN/Al_1−yIn_yN Superlattices

First‐Principles Calculation of Bandgaps of Al_1−xIn_xN Alloys and Short‐Period Al_1−xIn_xN/Al_1−yIn_yN Superlattices