Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field

Cui, Xiangyuan; Carter, D. J.; Fuchs, Martin; Delley, B.; Wei, Su‐Huai; Freeman, Arthur J; Stampfl, Catherine

doi:10.1103/physrevb.81.155301

Cited by 25 publications

(29 citation statements)

References 36 publications

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“…In addition, comparing the values for SLs that have a different number of InN and AlN layers but which have the same In composition in total (e.g., values at x = 0.5), we found that the bandgaps decreased with an increase in the number of SL layers. This tendency can be explained in connection with the built‐in electric field . The quantum‐confined Stark effect increases with the number of AlN layers resulting in decreasing bandgap.…”

Section: Resultsmentioning

confidence: 99%

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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

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: Resultsmentioning

confidence: 99%

“…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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“…Our results suggest that the latter factor tends to decrease the bandgap. Overall, the shellthickness dependence of the bandgap in graphene/graphane QDs is much weaker than that of III-Nitride quantum well structures, 18,19 and also of that for GQDs embedded in hexagonal BN, 20 indicating a strong confinement even using rather thin shells.…”

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confidence: 90%

Quantification of graphene based core/shell quantum dots from first principles

Cui

Zheng

Liu

et al. 2011

Applied Physics Letters

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Density functional calculations are performed to study the electronic structure of recently proposed graphene/graphane based core/shell quantum dots, which have a type I band alignment and exhibit quantized carrier energy levels. Strong confinement is robust with shell thickness. The bandgap, band offset, and the number of confined carrier orbitals with different size and geometry are determined. Our findings indicate that these core/shell dots are potentially well suited for the design of advanced diode lasers and room-temperature single electron devices. The proposed method to determine the number of confined orbitals is applicable for other quantum dot systems.

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“…DFT calculations were used to polar AlN/GaN heterostructures, 31 PHYSICS 113, 193706 (2013) comparable magnitude to the built-in contribution. 33,34 Since the electric field was determined using a change of the 1 s N state energy, the resolution was less than 1 double atomic layer, which does not provide a precise insight into the physics of the MQWs system.…”

Section: Introductionmentioning

confidence: 99%

Principal physical properties of GaN/AlN multiquantum well systems determined by density functional theory calculations

Strąk

Kempisty

Ptasinska

et al. 2013

Journal of Applied Physics

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A critical comparison of three polarization based approaches with the fields in AlN/GaN multiple quantum wells (MQWs) systems proved that they give identical results. The direct density functional theory (DFT) results, i.e., the fields, are in qualitative agreement with data obtained within the polarization theory. The results of DFT calculations of an AlN/GaN MQW system were used in the projection method to obtain a spatial distribution of the bands in the structure with atomic resolution. In parallel, the plane averaged and c-smoothed potential profiles obtained from the solution of the Poisson equation were used to determine the electric field in the multiquantum well structures and the magnitude of dipole layers at the AlN/GaN heterostructures. The dipole layers cause potential jumps of about 2.4 V that seriously affects the band offsets. The presence of the dipole layer is in good agreement with the potential measurements by electron holography. It was shown that the wells of the width up to 4 Ga layers behave as potential minima, but the wider layers behave as standard quantum wells. The barriers up to 3 Al layers do not localize the carriers. It is shown that the Quantum Confined Stark Effect causes a huge decrease of their energies and oscillator strengths of the optical transitions, especially for wider structures. For wider wells, the strengths fall much faster for perpendicular polarization which indicates the important role of the anisotropic band offsets. A direct simulation shows that the band offset for the valence band crystal field split off hole states, i.e., p z states are different from heavy and light hole (i.e., p ? ¼ p x p y ) states being equal to valence band offset ðVBOÞ ? ¼ 0:85 eV and rough estimate of VBO II ffi 0:5 eV, respectively. These values are in good agreement with the recently reported measurement of AlN/ GaN offsets. V C 2013 AIP Publishing LLC. [http://dx.

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Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field

Cited by 25 publications

References 36 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

Quantification of graphene based core/shell quantum dots from first principles

Principal physical properties of GaN/AlN multiquantum well systems determined by density functional theory calculations

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Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field

Cited by 25 publications

References 36 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

Quantification of graphene based core/shell quantum dots from first principles

Principal physical properties of GaN/AlN multiquantum well systems determined by density functional theory calculations

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Product

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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