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D. Dekhil^a,*, H. Guessas^a, A. Nouri^a, S. Ullah^b
Chalcogenide Letters, Vol.20, No.8, pp. 549-558, 2023, DOI:10.15251/CL.2023.208.549
Abstract SnS thin films were synthesized using the spray pyrolysis method and then annealed at 350, 400, and 450°C. According to the crystallographic analysis, the obtained SnS thin films crystallized in the polycrystalline orthorhombic system. The grains measured 47, 66, and 37 nm for the samples annealed at 350, 400, and 450°C, respectively. SEM and AFM images indicate that the samples’ surfaces were completely covered. Thus, the grains of SnS nanostructures have a granular-like shape and vary in size depending on the annealing temperatures. The transmittance measurement shows that annealing the sample at 400 °C extends… More >

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M. Fida^a, Nasarullah^a, S. A. Aldaghfag^b, M. Yaseen^a,*, M. Ishfaq^a
Chalcogenide Letters, Vol.20, No.8, pp. 559-562, 2023, DOI:10.15251/CL.2023.208.559
Abstract The structural, magnetic, optoelectronic, and thermoelectric (TE) characteristics of Nd₂MgX₄ (X = S, Se) are determined by utilizing the density functional theory (DFT) based full potential linearized augmented plane wave (FP-LAPW) method as employed in WEIN2k code. The exchange and correlation energies along with Coulomb interactions are brought into consideration by employing local density of approximation with Hubbard model (LDA+U). Tolerance (τ) factor and formation enthalpy were utilized to confirm the stability of both spinels. τ values are 0.70 and 0.68, and formation enthalpy values are (ΔH_f) are -3.34 eV and -2.19 eV for Nd₂MgX₄ (X =… More >

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K. W. Sun^a, Z. Liu^b,*, R. X. Wang^b, X. C. Ling^a, J. W. Sun^a
Chalcogenide Letters, Vol.20, No.8, pp. 563-571, 2023, DOI:10.15251/CL.2023.208.563
Abstract Ba_0.7Sr_0.3TiO₃:Sm³⁺ modified K_xNa(_1-x)NbO₃ ceramics with perovskite-type structure were synthesized via solid state sintering method. Sm³⁺ ions doping was designed for substituting both A and B sites in the ABO3 structure, Sm³⁺ doped Ba_0.7Sr_0.3TiO₃ (Ba_0.7Sr_0.3TiO₃:Sm³⁺ ) oxide precursor powders with the chemical formula of Ba_0.7Sr_0.3xSm_x(Ti_1-xSm_x)O₃ (x=0.005, 0.015, 0.025) were synthesized. Combined Ba_0.7Sr_0.3TiO₃:Sm³⁺ with K_0.5Na_0.5NbO₃, the perovskite-type solid solution composite ceramics were fabricated via solid phase sintering method. X-Ray diffraction was used for investigating the phase structure of the precursor powders and luminescent composite ceramics. The photoluminescence properties of the Sm³⁺ ions in the Ba_0.7Sr_0.3TiO₃-K_0.5Na_0.5NbO₃ composite ceramic materials were systematically investigated by exploring More >

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R. Singh^a,*, S. Kimothi^b, M. V. Singh^c, U. Rani^d, A. S. Verma^d,e,*
Chalcogenide Letters, Vol.20, No.8, pp. 573-578, 2023, DOI:10.15251/CL.2023.208.573
Abstract In this research paper, we have prepared thin film of MoS₂ by thermal evaporation technique and characterized it. This thin film depositions lead to amorphous thin film. To make it crystalline, thermal annealing of the film have deposited on the substrates at 800 ℃ for two hour under vacuum environment. X-ray diffraction data of thin film shows the poly-crystalline nature. The Atomic Force Microscopy (AFM) image of the thin film shows the crystallinity with regularly arranged grains. Furthermore, an unconventional MoS₂ based FET device has been fabricated by depositing thin film of MoS₂ on p-type silicon. Thereafter, More >

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Y. Zhang^a, J. Guo^a, Y. W. Zhang^a, Q. Y. Zou^a,b,c,*, S. R. Zhang^d,*, Q. Lai^e
Chalcogenide Letters, Vol.20, No.8, pp. 579-586, 2023, DOI:10.15251/CL.2023.208.579
Abstract We investigated the structural, electronic, chemical bonding, and optical properties of β-AgBiS₂ crystal by using the Perdew-Burke-Ernzerhof (PBE) functional and the hybrid functional Heyd Scuseria Ernzerhof (HSE) within the DFT formalism. The electronic band structures obtained by both methods indicate that β-AgBiS₂ is an indirect band gap semiconductor with band gap of 0.571 and 1.025 eV, respectively. The electron density difference and Mulliken overlap population show that the Ag-S bonds and Bi-S bonds are both ionic bonds. The calculated optical absorption spectrum prove that β-AgBiS₂ is a promising material for solar photovoltaic conversion. More >

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Z. Hadef^a,*, K. Kamli^a, O. Kamli^b, S. Labiod^a
Chalcogenide Letters, Vol.20, No.8, pp. 587-597, 2023, DOI:10.15251/CL.2023.208.587
Abstract Ultrasonic Spray Pyrolysis (USP) was used to deposited Co doped SnS₂ thin films on a glass substrate at different substrate temperatures (Ts = 350 °C, 375 °C, 400 °C, and 425 °C). DRX patterns shows that the synthesized films revealed a pure SnS2 phase with hexagonal structure. The mean crystalline grain sizes were showed an increasing– decreasing trend between 15.67 and 29.84 nm with an increment in the substrate temperature. The SEM images were significantly affected by the substrate temperature. Also, the optical band gap increases from 2.62 to 3.00 eV with the substrate temperatures increasing. More >

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K. A. Mohammed^a,*, N. H. J. Al Hasan^b, L. R. Al-Ameer^c, D. S. Abdul-Zahra^d, Y. D. Dwivedi^e, K. H. Salem^f, M. K. Agarwal^g, R. S. Zabibah^h, M. A. Alkhafajiⁱ
Chalcogenide Letters, Vol.20, No.8, pp. 599-608, 2023, DOI:10.15251/CL.2023.208.599
Abstract This study examined the properties of polyvinyl alcohol (PVA) as a matrix composite, specifically focusing on the characterization techniques of UV-Visible spectroscopy, X-ray diffraction (XRD), and scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDX). The investigation centered around a novel hybrid structure composed of CdZnS nanoparticles implanted within a composite matrix of PVA and Fe₂O₃. The analysis of microstructure data provided evidence of the influence of CdZnS nanoparticles on the structural characteristics of PVA–Fe₂O₃. The composites that were synthesized exhibited significant absorption peaks at wavelengths of 233 nm and 234 nm for PVA-Fe₂O₃ and PVA-Fe₂O₃-CdZnS, respectively. More >

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Y. Benkrima^a,*, D. Belfennache^b, R. Yekhlef^b,c, A. M. Ghaleb^d
Chalcogenide Letters, Vol.20, No.8, pp. 609-618, 2023, DOI:10.15251/CL.2023.208.609
Abstract Our calculations have been done using the density functional theory (DFT). In fact, we were able to find the optical and structural properties of CdSe compound of cubic phase by using the previously mentioned theory. The pseudo-potential linearised augmented plane wave (PP-LAPW) method is applied to solve the Kuhn-Sham equations. The results are obtained using Generalized Gradient Approximation according to the scheme described by Perdew-Burke-Ernzerhof (GGA-PBE) as a types of exchange-correlation. Convergence of energy and charge has been verified, this is for the study of properties basic state of the compound. It was found that… More >

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M. L. Han^*, Y. Hu
Chalcogenide Letters, Vol.20, No.8, pp. 619-628, 2023, DOI:10.15251/CL.2023.208.619
Abstract Hydrostatic pressure is an effective tool that can give rise to novel crystal structures and physical properties. In this paper, we perform the first-principles calculation based on density-functional theory (DFT) to study the structural, electronic, elastic, and optical properties of chalcogenide perovskite SrZrS₃ under pressure. The results indicated that both the lattice constant and cell volume decrease with the increase of pressure, which are matched well with available previous values. The obtained elastic constants reveal the SrZrS₃ is mechanically stable between 0 and 15 GPa. Additionally, the main features of the valence and conduction bands have More >

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