Calculation of Electronic States in Semiconductor Heterostructures with an Empirical spds* Tight-Binding Model

Scholz, Reinhard; Jancu, J.-M.; Beltram, Fabio; Bassani, F.

doi:10.1002/(sici)1521-3951(200001)217:1<449::aid-pssb449>3.0.co;2-b

Cited by 21 publications

(14 citation statements)

References 29 publications

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“…The existence of this additional state was not referred to in Ref. [13] and is a consequence of the different D dispersion reproduced by those two parameter sets; in particular, the much larger mass m l (X 1c ) in AlAs for SJB98. This can clearly be seen in the inset of Fig.…”

Section: Symmetric Superlatticessupporting

confidence: 71%

“…SJB98 reproduced a wide variety of bulk data accurately [12]. These models have been used for the calculation of band gaps [11,13], but not for the calculation of optical properties of SLs. The two parameter sets are compared in Table 1 with respect to experimental data important for modelling the band-edge states in (001) SLs.…”

Section: Introductionmentioning

confidence: 94%

“…[7]. Earlier studies had reported obtaining the correct cross-over of direct/pseudo-direct band gap structures [11,13,14] and general agreement with experimental data. Note, however, that the work of Xia and Chang [14] is actually misleading since, even though they obtained the right direct/ pseudo-direct gap cross-over, they had an incorrect longitudinal effective mass at the Xpoint which led to an additional artificial cross-over for N % 4.…”

Section: Symmetric Superlatticesmentioning

confidence: 99%

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GaAs/AlAs Superlattices and the Tight-Binding Model

Helmholz

Voon

2002

phys. stat. sol. (b)

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A study of how well tight-binding models can reproduce the optoelectronic properties of GaAs/ AlAs superlattices is carried out. It is shown that two key parameter sets lead to observable differences in the pseudo-direct energy gap regime, as well as in the direct gap regime. In addition to the differences in bulk fitting, other less direct differences, such as wave function localization, are found to play a role.

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Section: Symmetric Superlatticessupporting

confidence: 71%

Section: Introductionmentioning

confidence: 94%

Section: Symmetric Superlatticesmentioning

confidence: 99%

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GaAs/AlAs Superlattices and the Tight-Binding Model

Helmholz

Voon

2002

phys. stat. sol. (b)

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“…EMA approximations need sophisticated boundary conditions [39][40][41] and EF approximations become poor when the period of the envelope function approaches that of the rapidly varying Bloch function, as happens in systems with two-dimensional substitution layers. Therefore, these macroscopic models are inadequate for the study of our systems.…”

Section: Theorymentioning

confidence: 99%

Chemical and structural effects of two-dimensional isovalent substitutions inA(III)−B(V)semiconductors

2002

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The empirical pseudopotential method is used to study the electronic properties of two-dimensional isovalent substitutions in A(III)-B(V) semiconductors in a periodic modelling approach. Namely, for InAs/GaAs, InP/GaP, and GaN/GaAs substitution layer/host material systems the bandgap reduction and localization properties of electron and hole states are investigated. As a result we can also decide whether excitons can be effectively bound to the two-dimensional isovalent substitution layer.

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“…[5][6][7][8][9] We illustrate application of our k · p / LCLK model by considering the case of ͑GaAs͒ n / ͑AlAs͒ n SLs grown latticematched on a GaAs substrate. Such heterostructures provide a stringent test for evaluating the performance of ab initio and empirical approaches, 2,3,25 as the CBM occurs at a k-point different from ⌫ and depending on the SLs period n. In our calculations, the valence band offset has been chosen in accordance with experimental data: ⌬E v = 0.55 eV. 20,26 Figure 2 compares the k · p and TB near-band-gap energy levels at ⌫ of the ͑GaAs͒ n / ͑AlAs͒ n SLs as a function of the number of monolayers ͑MLs͒ n.…”

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confidence: 99%

30-band k⋅p method for quantum semiconductor heterostructures

Boyer‐Richard

Raouafi

Bondi

et al. 2011

Applied Physics Letters

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We illustrate how the linear combination of zone center bulk bands combined with the full-zone k⋅p method can be used to accurately compute the electronic states in semiconductor nanostructures. To this end we consider a recently developed 30-band model which carefully reproduces atomistic calculations and experimental results of bulk semiconductors. The present approach is particularly suited both for short-period superlattices and large nanostructures where a three-dimensional electronic structure is required. This is illustrated by investigating ultrathin GaAs/AlAs superlattices.

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Calculation of Electronic States in Semiconductor Heterostructures with an Empirical spds* Tight-Binding Model

Cited by 21 publications

References 29 publications

GaAs/AlAs Superlattices and the Tight-Binding Model

GaAs/AlAs Superlattices and the Tight-Binding Model

Chemical and structural effects of two-dimensional isovalent substitutions inA(III)−B(V)semiconductors

30-band k⋅p method for quantum semiconductor heterostructures

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