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S. Y. Chen^a,*, W. Wang^b
Chalcogenide Letters, Vol.21, No.4, pp. 293-304, 2024, DOI:10.15251/CL.2024.214.293
Abstract In this paper, we have presented the structural, elastic, mechanical, and electronic properties of the transition metal chalcogenide perovskite SnZrS₃ under different pressures by using first-principles method. Our calculated lattice parameters at ambient pressure are in good agreement with the experimental and previous theoretical results. The elastic constants were evaluated numerically for orthorhombic SnZrS₃ using the strain-stress approach. Orthorhombic SnZrS₃ shows a strong anisotropic behavior of the elastic and structural properties. According to the calculations of the electronic properties, we find the states near the valence band top are derived from S 3p, Zr 4d, Sn 5p, More >

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A. Benmir^*, M. L. Louazene
Chalcogenide Letters, Vol.21, No.4, pp. 305-317, 2024, DOI:10.15251/CL.2024.214.305
Abstract This article deals with the optimization by simulation of a graded bandgap thin film solar cell based on antimony selenosulfide Sb₂(Se_1-yS_y)₃ having the following structure: Front contact/n-ZnO/i-ZnO/p-SbSSe/n-CdS/Back contact. The simulation is performed using SCAPS-1D software. The optimization process includes optimizing the bulk defect density, bandgap profile, material composition, thickness, and doping density of the absorber layer of thin film solar cell based on antimony selenosulfide Sb₂(Se_1-yS_y)₃. We found that for a bulk defect density below 10¹³ cm^-3 , using an absorber material with a graded bandgap profile leads to an efficiency of 25.33 % (For a bulk… More >

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L. Alelyani^a, T. A. Ghaw^b,*, N. A. Asiri^b, N. A. Abdullah^b, K. I. Hussein^b, M. S. Alqahtani^b
Chalcogenide Letters, Vol.21, No.4, pp. 319-326, 2024, DOI:10.15251/CL.2024.214.319
Abstract This paper presents a novel low-cost phosphate glass preparation by using the melt quenching technique. It was investigated for use in diagnostic protective applications. The range of UV-VIS wavelength is used to estimate the optical energy gap. The MAC denotes the mass attenuation coefficients of the present glass were computed at low photon energies between 15 and 200 KeV using the MIKE program. The manufactured glasses parameters viz; the mean free path, half value layer, tenth value layer, effective atomic number, effective electron density, and linear attenuation coefficient denotes as follows; MFP, HVL, TVL, Z_eff, N_eff, More >

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A. M. Kadim^*, M. K. Abid
Chalcogenide Letters, Vol.21, No.4, pp. 327-333, 2024, DOI:10.15251/CL.2024.214.327
Abstract Zinc telluride (ZnTe) nanocrystals (NCs) have generated the interest of researchers as an electrode material in hybrid light emitting devices (HLEDs) due to its potentially high capacity. However, due to the restricted fundamental charging capacity of the electrode materials, the available energy of existing nanomaterial light emitting devices remains enough for a wide range of applications. In this research, ZnTe nanocrystals were synthesized using Nd: YAG laser at energy 600 mJ by 150 pulse number to form a battery device out of ITO/ZnTe/TPD/Ni. The spectra of the ZnTe NCs were assessed using ultraviolet-visible (UV-VIS) and More >

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M. Boonkam, P. Tamdee, P. Tongying^*
Chalcogenide Letters, Vol.21, No.4, pp. 335-342, 2024, DOI:10.15251/CL.2024.214.335
Abstract This work presents a facile hydrothermal synthesis method for fabricating a multifunctional composite of copper zinc tin sulfide (CZTS) nanoparticles coated onto sepiolite fibers. Morphological analysis confirms the firm attachment of approximately 10 nm CZTS nanoparticles onto the sepiolite surface. Elemental analysis verifies the presence of constituent elements from both CZTS and sepiolite, with a slight deficiency in Cu and an abundance of Zn observed. The compositional formula of CZTS in the composite is estimated as Cu_1.93Zn_1.05Sn_0.98S_4.04. Notably, the material exhibits a narrow band gap of 1.5 eV, enabling effective utilization of the entire visible light More >

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F. B. ohammed Ameen^a, M. H. Younus^b, G. G. Ali^c,*
Chalcogenide Letters, Vol.21, No.4, pp. 343-354, 2024, DOI:10.15251/CL.2024.214.343
Abstract In this work, the gas sensing properties of ZnS/Porous silicon heterostructures have been investigated. . Zinc sulfide(ZnS) with high gas sensing performance is successfully synthesized over the Porous silicon substrate by the spray pyrolysis method. The properties of the as-prepared samples were characterized X-ray diffraction (XRD), scanning electron microscope (SEM), Fourier transform spectrum (FTIR) and optical properties. The results reveal that the properties of the ZnS/Porous silicon heterostructures enhanced when the when the ZnS concentration is increased. The performance ZnS/Porous silicon as a gas-sensing show that the maximum sensitivity is found to be 5.11 at More >

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S. U. Atayeva^a,b, A. I. Isayev^a, S. I. Mekhtiyeva^a, S. N. Garibova^a,c,*, R. I. Alekberov^a,d, F. N. Mammadov^e
Chalcogenide Letters, Vol.21, No.4, pp. 355-363, 2024, DOI:10.15251/CL.2024.214.355
Abstract The study is dedicated to the investigation of thermo-physical characteristics of Se₉₅Te₅ chalcogenide glassy semiconductor during its glass formation and crystallization processes, employing various scanning rates of 5, 10, 15 and 20 K/min in non-isothermal modes through DSC measurement. Analysis of the structural relaxation kinetics involves the Kissinger’s, Augis and Bennett's, as well as Matusita’s approaches. Experimental data yield contains the determination of crucial parameters such as glass transition (T_g), crystallization(T_c), and melting temperatures alongside factors like reduced temperature of glass transition (T_rg), Hruby’s parameter (K_gl), fragility index (F_i), Avrami exponents (n, m), glass transition (140.24 kJ/mol) and More >

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H. Ambreen^a, S. Saleem^a, S. A. Aldaghfag^b, M. Zahid^c, S. Noreen^c, M. Ishfaq^a, M. Yaseen^a,*
Chalcogenide Letters, Vol.21, No.4, pp. 365-375, 2024, DOI:10.15251/CL.2024.214.365
Abstract In this study, spin polarized density functional theory (DFT) is implemented to predict physical characteristic of Be_1-xCr_xSe (x = 6.25%, 12.5%, 18.75%, 25%) compound. The electronic characteristics of pure BeSe compound show semiconductor behavior but after Cr doping BeSe elucidate half-metallic ferromagnetism (HMF) for all doping concentrations. The outcomes elucidate the total magnetic moment MTot per Cr-atom are 4.0028, 4.0027, 4.0021 and 4.0002 μB for 6.25%, 12.5%, 18.75%, 25% concentrations, respectively and the magnetism mainly originated from d-state of the impurity atom which is further ensured from the magnetic spin density. Furthermore, the optical parameters are More >

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