arXiv subjects

Jaker Hossain

Publications and source records attributed to Jaker Hossain.

At least 19 recordsLinked to original sources

arXiv2026

Computational analysis and performance optimization of SrScCu3Se4-based solar cells using COMSOL Multiphysics

Transition metal-based quaternary semiconductors show strong magneto-optical and thermoelectric properties, yet their photovoltaic performance in realistic three-dimensional device architectures remains underexplored. In this work, we investigate a n-ZnSe/p-SrScCu3Se4/p+-WSe2 quaternary chalcogenide heterostructure using three-dimensional finite-element simulations in COMSOL Multiphysics. The model self-consistently couples wavelength-dependent optical generation, drift-diffusion carrier transport, and thermal loss analysis under AM1.5G, 1-sun illumination within a fully coupled opto-electro-thermal framework. The effect of absorber width, acceptor level, and bulk defects on photovoltaic performance, carrier generation, and recombination profile is investigated in this study. Quaternary chalcogenide device produces an open circuit voltage (VOC) of 1.02 V, short-circuit current density (JSC) of 32.472 mA/cm2, fill factor (FF) of 88.212%, and power conversion efficiency (PCE) of 29.217% under optimized conditions. The quantum efficiency (QE) results indicate that the device effectively transforms incident light into charge carriers within the visible spectrum, however absorption and carrier collecting performance diminish in the near-infrared range. The electrothermal simulations indicate modest, spatially non-uniform temperature increases relevant to Joule heating and nonradiative recombination heating within the active layers. Overall, these findings ensure that SrScCu3Se4, a quaternary chalcogenide, is a promising absorber material and offers a strong experimental design consideration for obtaining high-performance, thermally stable three-dimensional photovoltaic device topologies.

physics.optics↗

arXiv2026

Machine learning-assisted design and explainable optimization of CdSnP2-based integrated solar-photodetector devices

CdSnP2-based integrated solar cell-photodetector (SC-PD) devices employing CdS and CuGaSe2 (CGS) as the window and back surface field (BSF) layers, respectively are investigated using a hybrid machine learning (ML)-assisted SCAPS-1D framework. Device optimization is performed by varying the thickness, doping concentration, and defect density of individual layers. SCAPS-generated data are used to train six ML models and one deep learning model, with ensemble-based algorithms exhibiting the highest predictive accuracy. The ML-guided optimization identifies the n-CdS/p-CdSnP2 (CTP)/p+-CGS architecture as the optimum configuration among thirteen candidate structures. Incorporation of a 200 nm CGS BSF layer significantly enhances both photovoltaic and photodetection performance, increasing the efficiency from 20.67% to 32.69%, responsivity from 0.53 AW-1 to 0.72 AW-1, and detectivity from 2.51x1014 Jones to 1.78x1016 Jones. SHapley Additive exPlanations (SHAP) analysis reveales that band-offset engineering, particularly at the window/absorber and absorber/BSF interfaces, together with absorber properties, governs device performance. These findings demonstrate the potential of CdSnP2 and the proposed data-driven SCAPS-ML framework for the accelerated design of high-efficiency multifunctional optoelectronic devices.

physics.optics↗

arXiv2026

Design and numerical performance analysis of efficient Ag3TaX4 (X = S, Se, Te) thin film solar cells

Silver-based ternary chalcogenides have recently emerged as promising absorber materials for thin film photovoltaics. Nevertheless, their photovoltaic performance in complete device architectures has not yet been systematically explored. In this work, three-dimensional (3D) n-CdS/p-Ag3TaX4 (X = S, Se, Te)/p+-GeS thin-film solar cells have been designed and numerically investigated using the Semiconductor Module of COMSOL Multiphysics. Herein, the various performance matrices of the proposed devices have been analysed in accordance with the changing of depth, carrier, and defect concentration in each layer of the structures. The optimized Ag3TaS4-based device delivers a power conversion efficiency, PCE of 24.66%, open circuit voltage, VOC of 1.4V, short circuit current density, JSC of 20.68 mA/cm2, and fill factor, FF of 85.16%. The Ag3TaSe4-based solar cell exhibits the PCE of 28.1% with VOC = 1.19V, JSC = 27.0 mA/cm2, and FF = 87.44%. The Ag3TaTe4 solar device shows a PCE of 27.56% with a VOC of 0.88 V, JSC of 36.14 mA/cm2, fill factor of 86.65%. These results provide a deeper insight into device operation and offer practical design guidelines for fabricating efficient Ag3TaX4 (X = S, Se, T e)-based novel next-generation solar cells.

physics.optics↗

arXiv2026

Numerical exploration on unveiling the photovoltaic potential of MgXS3(X = Ti, Zr, Hf) chalcogenide perovskites

Lead-free chalcogenide perovskites offer a nontoxic and thermally robust path beyond Pb-based perovskite solar cells (PSCs), but their device-level behavior in realistic three-dimensional geometries remains insufficiently characterized. In this work, we investigate ZnSe/MgXS3(X = Ti, Zr, Hf)/Sb2S3 solar cell architecture where MgXS3 absorbers from the II-IV-VI chalcogenide perovskite family is employed as the absorber layer. The device is analyzed using 3D finite-element simulations in COMSOL Multiphysics that self-consistently couple optical generation, drift-diffusion carrier transport, and heat transfer under AM 1.5G 1-sun illumination, following a fully coupled opto-electro-thermal framework. For each absorber composition, the impacts of absorber thickness, doping, and defect density are systematically investigated, and the contribution of an Sb2S3 back-surface-field (BSF) layer to carrier collection and spectral response is quantified. Under optimized conditions, MgZrS3, MgTiS3, MgHfS3-based devices achieves a simulated power conversion efficiency (PCE) of 28.18%, 26.72%, and 28.16%, respectively. The corresponding open-circuit voltage (VOC) values are 0.94 V, 0.74 V, and, 1.07 V while the short-circuit current density (JSC) values are 34.46 mA/cm2, 42.69 mA/cm2, and 29.89 mA/cm2, with fill factor (FF) values of 86.99%, 84.58%, and 88.02%, respectively. Coupled electro-thermal simulations further reveal a small spatially non-uniform steady-state temperature rise across the ultrathin cell stack, mainly governed by non-radiative recombination and Joule dissipation within the active layers. Overall, these results confirm MgXS3(X = Ti, Zr, Hf) chalcogenide perovskites as promising lead-free absorber materials and offer practical design guidance for achieving high-efficiency, thermally stable three-dimensional device architectures.

cond-mat.mtrl-sci↗

arXiv2026

Design of an efficient Tunable Dual narrow-band MEMS Mid and Far IR emitter with Me-NTA for Industrial and Biomedical applications

Spectrally selective infrared (IR) thermal emitters are gaining much attention now-a-days for sensing, spectroscopy and biomedical applications. In this research, two metasurface incorporated IR emitters are proposed and numerically analyzed using finite element method (FEM). First structure comprises a NiCr heater integrated with a NiCr-based metallic nanotube array (Me-NTA) metasurface to produce a single-narrowband emission in the mid-infrared (MIR) region. Furthermore, an Au-based Me-NTA metasurface on a NiCr-Au hybrid heater subsequently produces dual-narrowband emission in the short-and far-infrared (SIR and FIR) spectrums. Function of these emitters can be explained by Joule heating with the help of DC bias and consequently uniform temperature distribution can be observed along the active region. Simulation analysis shows that NiCr-metasurface based emitter produces single narrow-band near perfect emission centered at 4.5 {\mu}m in MIR region at an operating temperature of 700 K with maximum in-band conversion efficiency (CE) of 32.3% and radiated power of 199 mW. On the other hand, Au-metasurface based emitter generates dual-narrowband emission peaking at 2.5 {\mu}m and 10 {\mu}m, correlating to SIR and FIR subsequently, achieving maximum emission of 93% and 85%, respectively. The in-band CE for this emitter attains 10.4% and 4.4% in the first and second bands, associated with radiated powers of 350 mW and 147 mW, accordingly. Furthermore, execution of the emitter at 500 K reveals FIR emission with reduced power consumption. These results substantiate the possibilities of the suggested emitters in various industrial and biomedical applications.

physics.optics↗

arXiv2026

Design and analysis of MoTe2-based efficient photonic devices for the solar cell and photodetector applications

A systematic survey and subsequent research have been made on MoTe2-based n-CdS/p-MoTe2/p+-CGS device in solar cell and photodetector field. The optimization has been established by altering the various properties of each constituent layer through numerical computation. The performance of the MoTe2 photonic device has been probed with and without CGS back surface field (BSF) layer in details. The proposed n-CdS/p-MoTe2/p+-CGS photonic device exhibits markedly improved cell efficiency, {\eta} of 32.92 % with VOC of 0.97 V, JSC of 41.21 mA/cm2, FF of 82.73% and responsivity, R of 0.74 A/W as well as detectivity, D* of 2.36x1016 Jones at a wavelength of 1000 nm. These simulation outcomes reveal the strong potential of MoTe2 absorber along with the novel and improved structure for highly-efficient solar cells and photosensors that capable of high detection capability.

physics.optics↗

arXiv2026

First-principles insights into the optoelectronic and thermoelectric properties of X3NbY4(X= Cu, Ag, Au; Y=S, Se, Te) sulvanite compounds for energy applications

The structural, electronic, optical and transport properties of X3NbY4(X= Cu, Ag, Au; Y=S, Se, Te) sulvanite chalcogenides materials have been investigated using the Full Potential Linear Augmented Plane wave (FP-LAPW) within the density functional theory (DFT). The calculated structural information of X3NbY4 compounds is consistent with reported results of the same family compounds. The electronic band diagram exhibit indirect type band structures with bandgap value in the range of Eg 1.65- 0.50 eV using PBE-GGA functional and 1.80 eV-1.18 eV using TB-mBJ functional which indicates that these are semiconductor materials. The density of states (DOS) shows that the amount of bandgap decreases owing to move of valence band maximum (VBM) to the high energy level whereas the conduction band minimum (CBM) to the low energy level owing to the replacement of S-S-Te and Cu-Ag-Au atoms. The hybridized orbital by X-d, Nb-d and Y-p atomic orbitals dominate the VBM while hybridized by Nb-d and Y-p atomic orbitals mainly contribute the CBM. The elastic calculations exhibit that Cu-based materials have brittleness nature whereas Ag- and Au-based compounds are ductile nature. Furthermore, the phonon dispersion curves probes that these X3NbY4 compounds are dynamically stable. However, the calculated optical properties: dielectric function, absorption coefficient, refractive index, and energy loss function; specifically, the higher value of absorption coefficient (105 cm-1) indicates that these materials are attractive candidates in optoelectronics applications. Finally, thermoelectric parameters such as Seebeck coefficient, thermal conductivity, electrical conductivity, power factor (P.F) and ZT value of these compounds have also been investigated. Overall, the finding explores that these materials are potential candidates for the applications in optoelectronic and thermoelectric devices.

cond-mat.mtrl-sci↗

arXiv2025

Design and simulation of GaSe hybrid photonic waveguides on a \b{eta}-Ga2O3 platform

This study explores the potential of a novel material platform combining Gallium Selenide (GaSe) with a \b{eta}-Ga2O3 substrate and Al2O3 cladding for advanced photonic waveguides. The numerical investigation of the optical performance of GaSe-based waveguides focuses on key parameters such as power confinement factor (PCF), propagation loss, and effective mode index for both of the modes of Transverse Electric (TE) as well as Transverse Magnetic (TM). The results demonstrate that the GaSe/Al2O3/\b{eta}-Ga2O3 waveguide exhibits excellent optical confinement, with PCF values exceeding 96% for both the TE and TM modes at a wavelength of 1.55 {\mu}m. The waveguide also shows low propagation losses, particularly for the TM mode, making it suitable for long-wavelength applications. Furthermore, the study highlights the impact of core dimensions and cladding height on waveguide performance, providing insights into optimizing the design for minimal loss and maximal efficiency that demonstrates the potential of III-VI compound-based waveguides. This treatise also focuses on the bending losses by varying the wavelength and bending radius for both of the TE and TM mode of the GaSe-based waveguide. The waveguide shows the reflecting loss of -25.08 dB and transmission loss of -5.97 dB for the bending radius of 2 {\mu}m and wavelength of 1.55 {\mu}m. This work underscores the potential of GaSe-based waveguides on a \b{eta}-Ga2O3 platform for next-generation photonic integrated circuits.

physics.optics↗

arXiv2024

Machine Learning Assisted Revelation of the Best Performing Single Hetero-junction Thermophotovoltaic Cell

In this work, Machine Learning (ML) techniques have been employed to explore the highest performing single-heteronunction thermophotovoltaic cell. Initially, traditional homo junction TPV cells have been explored using ML methodologies for the optimal material combinations. ML methods have notably been devoted to analyze the importance of each parameter in the model, thereby improving the comprehension of the system's behavior and facilitating design optimization. Following this investigation, it has been found that Ge emerged as the most effective emitter layer when paired with the optimal base layer, InGaAsSb compound that possesses a direct bandgap of 0.53 eV. Subsequently, a p-Ge/n-InGaAsSb single-heterojunction TPV cell is introduced executing a device transport model featuring a p-n structure. This cell operated at black body (TBB) and cell temperatures of 1578 K and 300 K, respectively. Through meticulous optimization efforts, the performance of the TPV cell is significantly enhanced resulting in an impressive efficiency of 16.50%. This efficiency is accompanied by a short circuit current, JSC=15.53 A/cm2, an open-circuit voltage, VOC=0.47 V, and a fill factor FF=79.5%. These findings suggest that this structural configuration holds considerable promise for the development of high-performance TPV cells.

physics.app-ph↗

arXiv2024

Thiol-amine co-solvents aided direct synthesis of ZnTe thin films by spin coating for low cost optoelectronic applications

Zinc telluride (ZnTe) thin films have special semiconducting characteristics that make them very promising for a broad range of optoelectronic applications. In this work, a novel approach for synthesizing ZnTe thin films by spin coating technique is followed using a unique solution process with ZnTe directly dissolving in thiol-amine co-solvents. Thin films are synthesized on glass substrates and air annealed at 250-350 {\deg}C. The polycrystalline phase of ZnTe is revealed through the X-ray diffraction (XRD) study. The scanning electron microscopy (SEM) is used to observe the evolution of surface smoothness with annealing temperature. Moreover, elemental compositions of ZnTe thin film have been determined by energy dispersive spectroscopy (EDS) study. FTIR spectroscopy reveals that ZnTe has been successfully synthesized as confirmed by the characteristic peaks in the spectrum of 750-1000 cm-1. Optical properties of the ZnTe thin films have been investigated using UV-vis spectroscopy. The transmittance of the films increases with annealing temperature. Furthermore, the optical bandgaps of the films of 2.92, 2.84, and 2.5 eV have been found at 250, 300, and 350 {\deg}C annealing temperatures, respectively. These results suggest that controlling the annealing environment serves as a valuable strategy for tailoring the ZnTe film properties to meet specific application requirements. These results reveal that spin coated ZnTe thin films are attractive ones for various applications in optoelectronic devices such as solar cells and photodetectors.

cond-mat.mtrl-sci↗

arXiv2024

Design and optimization of CdSe-CuSbSe2-based double-junction two-terminal tandem solar cells with VOC> 2.0 V and PCE over 42%

In this article, we demonstrate CdSe-CuSbSe2-based double junction two-terminal tandem solar cells simulated with SCAPS-1D. The highest performance of the tandem cell has been confirmed by optimizing the electrical and optical properties of window, top absorber, CdSe (bandgap 1.7 eV), bottom absorber, CuSbSe2 (bandgap 1.08 eV) and back surface layers. In addition, the effect of different parameters such as thickness, doping, defect density of different layers has been investigated in details. With the optimized condition, the modeled CdSe-CuSbSe2 double-junction two-terminal tandem solar cell displays the noticeable efficiency of 42.64% with open circuit voltage of 2.09 V, short circuit current density of 24.09 mA/cm2 and fill factor of 84.36%, respectively. These results are highly propitious for the construction of all-chalcogenide based high performance tandem photovoltaic cells in the future.

physics.app-ph↗

arXiv2023

Highly efficient CdTe solar cell with a thin CIT current booster: theoretical insights

CdTe-based thin film solar cell has been modeled and enumerated with a thin CuInTe2 (CIT) current booster layer. CdTe-based n-CdS/p-CdTe/p+-CIT/p++-WSe2 heterojunction device has been evaluated for the highest performance. It is revealed that physical parameters such as thickness, doping, and defects of the CIT layer have a significant influence on the performance of the CdTe solar cell. The device shows an efficiency of 37.46% with an open circuit voltage, VOC of 1.102 V, short circuit current density, JSC of 38.50 mA/cm2, and fill factor, FF of 88.30%. The use of the photon recycling technique with a Bragg-reflector with 98% back and 95% front reflectance only provides an efficiency of ~44.3% with a current of 45.4 mA/cm2. These findings are very hopeful for the production of an efficient CdTe solar cells in the near future.

physics.app-ph↗

arXiv2023

Group IV Mid-Infrared Thermophotovoltaic Cells on Silicon

Compound semiconductors have been the predominant building blocks for the current mid-infrared thermophotovoltaic devices relevant to sub-2000 K heat conversion and power beaming. However, the prohibitively high cost associated with these technologies limits their broad adoption. Herein, to alleviate this challenge we introduce an all-group IV mid-infrared cell consisting of GeSn alloy directly on a silicon wafer. This emerging class of semiconductors provides strain and composition as degrees of freedom to control the bandgap energy thus covering the entire mid-infrared range. The proposed thermophotovoltaic device is composed of a fully relaxed Ge$_{0.83}$Sn$_{0.17}$ double heterostructure corresponding to a bandgap energy of 0.29 eV. A theoretical framework is derived to evaluate cell performance under high injection. The black-body radiation absorption is investigated using the generalized transfer matrix method thereby considering the mixed coherent/incoherent layer stacking. Moreover, the intrinsic recombination mechanisms and their importance in a narrow bandgap semiconductor were also taken into account. In this regard, the parabolic band approximation and Fermi's golden rule were combined for an accurate estimation of the radiative recombination rate. Based on these analyses, power conversion efficiencies of up to 9% are predicted for Ge$_{0.83}$Sn$_{0.17}$ thermophotovoltaic cells under black-body radiation at temperatures in the 500-1500 K range. A slight improvement in the efficiency is observed under the frontside illumination but vanishes below 800 K, while the use of a backside reflector improves the efficiency across the investigated black-body temperature range. The effects of the heterostructure thickness, surface recombination velocity, and carrier lifetime are also elucidated and discussed.

physics.app-ph↗

arXiv2023

Exploring the potential of GeTe for the application in Thermophotovoltaic (TPV) cell

Germanium telluride (GeTe) having a direct bandgap of 0.6 eV has mainly been in phase change memory and thermoelectric power generation. In this article, we study the electronic structure of the GeTe by first-principles calculations. The theoretical direct bandgap of GeTe was found to be 0.69 eV which is very close to the experimental value. Then, we demonstrate a single-junction GeTe thermophotovoltaic (TPV) cell based on device transport model with np structure. The device was optimized for the higher performance of the TPV cell. The GeTe TPV cell exhibited an efficiency of 7.9% with JSC=16.16 A/cm2, VOC=0.360 V and FF=75.51%, respectively. These results indicate that GeTe could be a promising material for the fabrication of efficient TPV cell.

cond-mat.mtrl-sci↗

arXiv2022

Numerical modeling of CuSbSe2-based dual-heterojunction thin film solar cell with CGS back surface layer

Ternary chalcostibite copper antimony selenide (CuSbSe2) is a promising absorber material for next generation thin film solar cells due to the non-toxic nature, earth-abundance, low-cost fabrication technique, optimum bandgap and high optical absorption coefficient of CuSbSe2. Conventional single heterojunction CuSbSe2 solar cells suffer from high recombination rate at the interfaces and the presence of a Schottky barrier at the back contact, which limit their power conversion efficiencies (PCEs). In this study, we propose a dual-heterojunction n-ZnSe/p-CuSbSe2/p+-CGS solar cell, having copper gallium selenide (CGS) as the back surface field (BSF) layer. The BSF layer absorbs longer wavelength photons through a tail-states-assisted (TSA) two-step upconversion process, leading to enhanced conversion efficiency. Numerical simulations were carried out using SCAPS-1D to investigate the performance of the proposed solar cell with respect to absorber layer thickness, doping concentrations and defect densities. The simulation results exhibit PCE as high as 43.77% for the dual-heterojunction solar cell as compared to 27.74% for the single heterojunction n-ZnSe/p-CuSbSe2 counterpart. The dual-heterojunction structure has, therefore, the potential to approach the Shockley-Queisser (SQ) detailed balance limit and can lead to extremely high PCEs in emerging thin film solar cells.

physics.app-ph↗

arXiv2021

A comprehensive first principles calculations on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 single-cubic-perovskite superconductor

In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 (BKBPO) single perovskite superconductor. We have analyzed elastic constants and moduli at zero and elevated pressures (up to 25 GPa) as well. We also have investigated the anisotropic nature incorporating both the theoretical indices and graphical representations in 2D and 3D dimensions, which reveals a high level of anisotropy. The flatness of the energy bands near EF is a sign of Van-Hf singularity that might increase the electron pairing and origination of high-TC superconductivity. The computed band structure exhibits its metallic characteristics is confirmed by band overlapping. A band of DOS is formed for the strong hybridization of the constituent elements. The orbital electrons of O-2p contribute most dominantly at EF in contrast to all orbital electrons. The orbital electrons at the EF are higher from both the partial density of states and charge density mapping investigation. The coexistence of the electron and hole-like Fermi sheets exhibits the multi-band nature of BKBPO. On the other hand, Fermi surfaces with flat faces promote transport features and Fermi surface nesting as well. The calculated value of the electron-phonon coupling constant ({\lambda} = 1.46) is slightly lower than the isostructural superconductor, which indicates that the studied BKBPO can be treated as a strongly coupled superconductor similar to the reported isostructural perovskite superconductors. Furthermore, the thermodynamic properties have been evaluated and analyzed at elevated temperature and pressure by using harmonic Debye approximation (QHDA).

cond-mat.supr-con↗

arXiv2021

Theoretical insight into the enhancement of longer-wavelength light absorption in silicon solar cell with multilevel impurities

In this article, we theoretically demonstrate multilevel impurity photovoltaic effect in an efficient silicon dual-homojunction solar cell that ensures an extended absorption of longer wavelength light. Along with suitable contact work functions (Ni and Ta as anode and cathode, respectively), three impurity energy levels from acceptor type impurities (One from Tl and two from Zn) have been introduced in the energy gap of the absorber layer in the solar cell. The pristine Si solar cell shows a PCE of 25.4% with JSC= 37.99 mA/cm2, VOC=0.780V and FF=85.76%, respectively. The incorporation of Tl impurity level alone provides a PCE of 33.4%, with JSC= 51.56 mA/cm2, VOC=0.789 V and FF=82.03%, respectively. The PCE of the solar cell further enhances to 35.4% with a further enhancement of the short circuit current by 3.76 mA/cm2 due to the inclusion of Zn impurity into the optimized structure. This enhancement of the JSC and hence PCE is resulted from the longer wavelength light absorption due to impurity-assisted two-step photon upconversion in the solar cell.

physics.app-ph↗

arXiv2021

Simulation approach to reach the SQ limit in CIGS-based dual-heterojunction solar cell

In this article, we demonstrate the design and simulation of a highly-efficient n-CdS/p-CIGS/p+-CGS dual heterojunction solar cell. The simulation was performed using SCAPS-1D software with reported experimental physical parameters. The simulation performance of our proposed design arises 47% with Voc=0.98 V, Jsc=59.94 mA/cm2 and FF=80.07%, respectively. The high short circuit current and hence the high efficiency is predominantly originated from the longer wavelength absorption of photon through a tail-states-assisted two-step upconversion in dual heterojunction (DH) and thus reaches the SQ detailed balance limit of DH solar cell.

physics.app-ph↗