Full potential study of the structural, electronic and optical properties of (InAs)m/(GaSb)n superlattices

Caid, M.; Rached, D.; Cheref, O.; Righi, H.; Rached, H.; Benalia, S.; Merabet, M.; Djoudi, L.

doi:10.1016/j.cocom.2019.e00394

Cited by 21 publications

(6 citation statements)

References 31 publications

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“…The extinction coefficient, for a given medium, represents the measure of the rate of reduction of transmitted light by light scattering and absorption. [ 34 ] Here, we have plotted the extinction coefficient for GaSb material for undoped and doped supercells for photon energy ranges 0–12 and 0–1.5 eV (IR region) as shown in Figure 9 a,b respectively. It can be observed in Figure 9b that the extinction coefficient of Ge‐doped GaSb material in the IR region is much higher than Sn‐ and Zn‐doped GaSb materials, revealing high absorption of a light photon in this region.…”

Section: Resultsmentioning

confidence: 99%

DFT Study about the Effect of Doping on the Properties of GaSb Material and Designing of High‐Efficiency Infrared Photodetector

Bhandari,

Yadav,

Singh

et al. 2023

Physica Status Solidi (b)

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The gallium antimonide (GaSb) material has very attractive electronic and optoelectronic properties which are suitable for next‐generation infrared (IR) photodetector applications. In this work, properties of undoped GaSb material such as density of states, bandstructure, electron density, absorption coefficient, dielectric function, refractive index, and extinction coefficient are calculated using density‐functional theory (DFT). Moreover, the effects of doping with Ge, Sn, and Zn elements on these properties of GaSb material are investigated. It is found that undoped GaSb material exhibits a direct gap of ≈0.72 eV. Among different doping elements, Ge‐doped GaSb produces a very significant enhancement in optical properties. The Ge‐doped GaSb demonstrates a four times higher absorption coefficient in comparison to undoped GaSb in the IR region at 0.8 eV photon energy. GaSb‐based photodetector device is designed using the Solar Cell Capacitance Simulator (SCAPS) 1D tool. The efficiency of the designed photodetector with optimum thicknesses and doping of different layers is found to be improved from 21.34% to 25.91% after incorporating the absorption data set obtained from the DFT calculations. Additionally, the photodetector with optimum parameters demonstrates maximum responsivity of value ≈0.31 A W−1. In the previous findings, it is demonstrated that GaSb is a very suitable material for next‐generation IR photodetector applications.

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Section: Resultsmentioning

confidence: 99%

DFT Study about the Effect of Doping on the Properties of GaSb Material and Designing of High‐Efficiency Infrared Photodetector

Bhandari,

Yadav,

Singh

et al. 2023

Physica Status Solidi (b)

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“…The same can be said for GaSb, which even if less widespread in its large-scale application has lately seen a surge regarding its study and use. Indeed, optical and electronic properties of short period InAs/GaSb superlattices were investigated in [12,13], while antimony-based high electron mobility transistors, resonant tunneling diodes, and heterojunction bipolar transistors are all examples of Sb devices researched in the past years [14]. Finally, alloys of GaAs 1−x Sb x at different Sb concentrations have been the subject of various articles regarding its potential employment in the fabrication of nanowires, quantum wells and photodetectors [15,16].…”

Section: Methodsmentioning

confidence: 99%

Machine learned environment-dependent corrections for a spds∗ empirical tight-binding basis

Soccodato,

Penazzi,

Pecchia

et al. 2024

Mach. Learn.: Sci. Technol.

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Empirical tight-binding (ETB) methods have become a common choice to simulate electronic and transport properties for systems composed of thousands of atoms. However, their performance is profoundly dependent on the way the empirical parameters were fitted, and the found parametrizations often exhibit poor transferability. In order to mitigate some of the the criticalities of this method, we introduce a novel Δ-learning scheme, called MLΔTB. After being trained on a custom data set composed of ab-initio band structures, the framework is able to correlate the local atomistic environment to a correction on the on-site ETB parameters, for each atom in the system. The converged algorithm is applied to simulate the electronic properties of random GaAsSb alloys, and displays remarkable agreement both with experimental and ab-initio test data. Some noteworthy characteristics of MLΔTB include the ability to be trained on few instances, to be applied on 3D supercells of arbitrary size, to be rotationally invariant, and to predict physical properties that are not exhibited by the training set.

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“…In 2017, Zhitov et al [9] fabricated and investigated the type-II ZnSe/ZnTe SLs for photodetector application. From the Laboratoire des Matériaux Magnétiques (LMM), we investigated the structural, electronic, and optical properties of II-VI and III-V SLs by using the full-potential linear muffin-tin orbital (FP-LMTO) method, among the BeTe/ZnSe [10], InAs/GaSb [11], ZnTe/MnTe [12], and AlSb/GaSb [13]. We found that the properties of SLs are intensely layers dependent and SLs show a potential for technological applications.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations

Caid¹,

Rached²,

Rached³

et al. 2022

Condens. Matter Phys.

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In the present study we discuss the effect of variation in the number of monolayers n on the electronic and optical properties of superlattices (SLs) (ZnSe)n/(ZnTe)n. The total energies were calculated by the full-potential linear muffin-tin orbital (FP-LMTO) method, and the exchange-correlation energy was applied in the local density approximation (LDA). First, the calculations show a decrease in the derivative of bulk modulus and electronic bandgap with an increase in the number of monolayers n. Second, the radiation energies up to 15 eV, the dielectric function ε(ω), the refractive index n(ω), and the reflectivity R(ω) are studied. These calculations may be beneficial to understand the properties of short-period superlattices (ZnSe)n/(ZnTe)n.

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Full potential study of the structural, electronic and optical properties of (InAs)m/(GaSb)n superlattices

Cited by 21 publications

References 31 publications

DFT Study about the Effect of Doping on the Properties of GaSb Material and Designing of High‐Efficiency Infrared Photodetector

DFT Study about the Effect of Doping on the Properties of GaSb Material and Designing of High‐Efficiency Infrared Photodetector

Machine learned environment-dependent corrections for a spds∗ empirical tight-binding basis

Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations

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