Optoelectronic properties of cubic BxInyGa1−x−yN alloys matched to GaN for designing quantum well Lasers: First-principles study within mBJ exchange potential

Assali, Abdenacer; Bouslama, M.; Abid, Hamza; Zerroug, S.; Ghaffour, M.; Saidi, F.; Bouzaı̈ene, L.; Boulenouar, K.

doi:10.1016/j.mssp.2015.03.033

Cited by 21 publications

(6 citation statements)

References 67 publications

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“…Our work using hybrid functionals agrees with that of Assali et al using mBJ potentials to demonstrate that co-incorporation of B and In alloying reduce the band gap of zincblende GaN. 14 However, our results show that although the addition of boron content up to ~0.15 decreases the band gap, continuing to increase it beyond ~0.15 acts to increase the gap, while their work found a monotonic increase in the direct band gap with increasing boron addition.…”

Section: E Discussionsupporting

confidence: 90%

“…In alloying reduces the band gap while B alloying raises the direct gap slightly and has a nonlinear effect on the (larger) indirect gap. 14 Park and Ahn examined wurtzite BInGaN/GaN quantum wells using multiband effective mass theory and report a lower mismatch to GaN than InGaN and a large reduction in the internal polarization field. 15 This reduction increases carrier wave-function overlap and ultimately the predicted efficiency of light production.…”

Section: Introductionmentioning

confidence: 99%

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Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

Greenman

Williams

Kioupakis

2019

Journal of Applied Physics

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InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading dislocations. In this work, we apply hybrid density functional theory calculations to investigate the thermodynamic stability, lattice parameters, and band gaps of wurtzite and zincblende quaternary BInGaN alloys. We find that the wurtzite phase is more stable and can be latticematched to GaN for BInGaN compositions containing up to ~30% boron. The lattice match with GaN decreases strain and enables thicker active layers that mitigate Auger recombination and increase the efficiency of the LEDs. The band gap of the alloy remains tunable throughout the visible spectrum. Our results indicate that BInGaN alloys are promising alternatives to InGaN for high-efficiency, high-powerLEDs.

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Section: E Discussionsupporting

confidence: 90%

Section: Introductionmentioning

confidence: 99%

Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

Greenman

Williams

Kioupakis

2019

Journal of Applied Physics

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“…Low dimensional III-V semiconductor materials such as quantum well, quantum wire and quantum dot (QD) are attractive to researchers due to their excellent electronic and optical properties [1][2][3][4]. The electrons of quantum dot are confined in three dimensions and the electron energy levels are discrete which is similar with that of an atom.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of stress and strain distribution in coupled pyramidal InAs quantum dots embedded in GaAs by finite element method

et al. 2019

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Stress and strain distributions in and around a single or two-coupled pyramidal InAs quantum dots (QDs) embedded in GaAs are calculated by finite element methods according to the continuum elasticity theory. By changing the quantum dot spacing and thickness of cap layer, the results about strain and stress distributions show compressive strain and stress distribution in the QDs and relaxation undergoes two stages with different speeds for different quantum dot height, quantum width and thickness of cap layer. The stress and strain distributions of pyramidal QDs would not vary monotonously with geometric dimensions. The height of quantum dot and cap layer thickness can effectively adjust the vertical correlation of self-assembly QDs according to the calculation. The shape of stress distribution at surface of cap layer can be tuned from a quadrangle into a circle by increasing the thickness of cap layer or decreasing the height of quantum dot. Also, a new approach to grow quantum ring is found in this paper. The calculations of two-coupled QDs show that the self-assembly technology might fail if the horizontal distance between two QDs is not large enough. The stress induced by upper QDs will be relaxed to zero with a longer distance downwards is found in this paper.

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“…One possible strategy to deal with this issue is to introduce a small amount of elements with a lower atomic radius, such as B and Be, to form quaternary alloys. This technique was applied for cubic InGaN and found to lead to a reduction of the lattice mismatch between the GaN substrate and the InGaN active layers [49].…”

Section: Iv2 Electronic Propertiesmentioning

confidence: 99%

Composition Dependence of Electronic, Elastic, and Polarization Properties of Wurtzite InxGa1-xN and CdxZn1-xO Ternary Alloys

Benbedra

Meskine

Abbassa

et al. 2021

Preprint

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We report the results of density functional theory calculations of several properties of wurtzite-structured InGaN and CdZnO alloys. It is shown that the investigated properties, including the internal parameter, bandgap, mechanical moduli, and electric polarization are nonlinear functions of alloy composition, as they deviate from the linear behavior predicted by Vegard’s law. Based on these results, InGaN and CdZnO are materials whose properties can be tuned via In and Cd concentrations. The spontaneous and piezoelectric polarizations considerably affect the properties of alloys-based devices due to the huge electric fields that build up at the heteroineterfaces. In this work we propose a method of controlling such fields by employing the composition dependence of the total polarization. We support this proposal by showing that, in the case of InGaN, an optimal alloy composition can be found that effectively reduces the polarization-induced electric fields, thereby improving the efficiency of optoelectronic applications.

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Optoelectronic properties of cubic BxInyGa1−x−yN alloys matched to GaN for designing quantum well Lasers: First-principles study within mBJ exchange potential

Cited by 21 publications

References 67 publications

Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

Theoretical study of stress and strain distribution in coupled pyramidal InAs quantum dots embedded in GaAs by finite element method

Composition Dependence of Electronic, Elastic, and Polarization Properties of Wurtzite InxGa1-xN and CdxZn1-xO Ternary Alloys

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