S. H. Fan^1,*, Y. S. Song¹, H. J. Hou¹, H. L. Guo², S. R. Zhang³

Chalcogenide Letters, Vol.22, No.12, pp. 987-997, 2025, DOI:10.15251/CL.2025.2212.987 - 01 December 2025

Abstract Using first-principles calculations, the physical behavior of α-Cu₂Se are thoroughly examined. The computed structural parameters align closely with experimental data. Through computational analysis, the electronic properties for α-Cu₂Se are determined. Additionally, mechanical characteristics-including bulk modulus B, shear modulus G, Young’s modulus E, and B/G are evaluated under varying pressure conditions. Furthermore, the optical properties are investigated. The study reveals that α-Cu₂Se exhibits a direct bandgap of 0.782 eV, indicating its promising potential for optoelectronic applications. More >

A. Ledesma-Juárez¹, J. F. Quintero-Guerrero², A. M. Fernández^1,*

Chalcogenide Letters, Vol.22, No.12, pp. 1009-1018, 2025, DOI:10.15251/CL.2025.2212.1009 - 06 December 2025

Abstract Indium sulphide (In₂S₃) has positioned itself as an environmentally friendly and efficient option compared to traditional CdS, used as a buffer layer in thin-film solar cells that use Cu(In,Ga)Se₂ (CIGS) as an absorbent material. This study provides a comparative analysis of two techniques for depositing thin films of In₂S₃: chemical bath deposition (CBD) and ultrasonic pyrolytic spraying. Their structural, morphological, compositional, and optical properties were evaluated. The films obtained by pyrolytic spraying, showed adequate crystallinity and uniformity. On the other hand, the films deposited by CBD had better stoichiometry (In2:S3 ≈ 40:60% at.) and higher bandgap values More >

Naeemah A. Aswad, Ayed N. Saleh^*

Chalcogenide Letters, Vol.22, No.12, pp. 1019-1029, 2025, DOI:10.15251/CL.2025.2212.1019 - 06 December 2025

Abstract The SCAPS-1D software was used to simulate a p–CuI/n–InSe photodetector at 300 K with AM1.5G light. The simulation results showed that, with a quantum efficiency of 97.6% at 800 nm and a responsivity of 0.67 A/W, the ideal absorber layer thickness of 0.8 µm produced the highest overall performance. The specific detectivity was enhanced to 2.5 × 10¹⁵ cm·Hz^1/2 ·W⁻³ and the dark current was decreased by increasing the InSe carrier concentration from 1 × 10¹⁵ cm⁻³ to 3 × 10¹⁵ cm⁻³ . These findings show that the CuI/InSe heterojunction’s broadband response, strong responsivity, and low dark current make More >

U. Anwar^a, N. A. Noor^b, S. Mumtaz^c,*, I. M. Moussad¹

Chalcogenide Letters, Vol.22, No.3, pp. 261-276, 2025, DOI:10.15251/CL.2025.223.261

Abstract The combination of two-step synthesis processes is employed for the fabrication of (NiO)(_0.5)/(Fe₂O₃)(_0.5)@C@MoS₂ (NFCM) nanofibers composite through electrospinning and hydrothermal techniques. This nanofiber composite is designed for tunable dielectric materials and electromagnetic interference (EMI) shielding applications. Using impedance spectroscopy, the electrical properties of an NFCM pellet are analyzed using an equivalent circuit model (R₁1<), with a primary focus on the variation of relaxation time with frequency at different temperatures. Utilizing the Mott. variable range hopping (MVRH) model, and small polaronic hopping model, the localization length of the hoping carriers is determined to be 0.98 Å and More >

G. Hao^*, Z. Chen, R. Xian, W. Yifan

Chalcogenide Letters, Vol.22, No.3, pp. 255-260, 2025, DOI:10.15251/CL.2025.223.255

Abstract In present work, Cu₂BaSnS₄(CBTS) nanoparticles are reported solvothermally synthesized. The formation of single-phase trigonal structure of CBTS nanoparticles is confirmed by XRD and Raman spectroscopic analysis. SEM studies reveal that CBTS exhibits flower shaped structure self-assembling by nanosheets with uniform average thickness 30nm. CBTS materials show abroad absorption in the complete visible range, providing a band-gap value of 1.58eV, indicating potential applications in photocvoltaics. The excellent MB degradation efficiency of 93% under visible light within 100min is achieved, suggesting CBTS is a potential material for effective solar light photocatalytic application. Meanwhile, electrical properties are measured up More >

S. I. Aziz, G. G. Ali^*

Chalcogenide Letters, Vol.22, No.3, pp. 239-253, 2025, DOI:10.15251/CL.2025.223.239

Abstract This work investigates the photodetector characteristics of lead and cadmium sulfide thin films deposited on porous silicon heterojunction at composites (x=0,0.25,0.5,0.75,1). The characteristics of all deposited samples were estimated by X-ray diffraction (XRD), highresolution scanning electron microscope (FESEM), Energy-dispersive X-ray (EDX), I-V measurements, and photodetector properties. PbS and CdS thin films have been successful, and photodetector properties on the porous silicon surface have performed well using the chemical spray method. An X-ray confirmed that the prepared samples have a crystalline phase structure. Besides, the results indicate that the PbS and CdS thin films have cubic… More >

S. Saleem^a, U. Parveen^a, H. AL-Ghamdi^b,*, M. Yaseen^a, I. Sajjad^a, Nasarullah^a

Chalcogenide Letters, Vol.22, No.3, pp. 223-237, 2025, DOI:10.15251/CL.2025.223.223

Abstract Present research reveals the doping effect on physical properties of Sr_1-xFe_xS by employing ab-initio calculations. The negative formation energy and optimization outcomes exhibit the stability of the Sr_1-xFe_xS alloys with ferromagnetic phase. Spin dependent band structure (BS) and density of states (DOS) interpret that Sr_1-xFe_xS revealed half metallic ferromagnetic (HMF) nature at 6.25% and 12.5% of Fe doping while metallic character is revealed at 25% concentration of dopant. Spin-up state of Sr_0.9375Fe_0.0625S and Sr_0.8750Fe_0.1250S depicts semiconductive behavior with bandgap value of 2.01/2.33 eV, correspondingly, while metallic in spin-down channel. The magnetism in the system is mainly originated because… More >

Q. N. Gao^a, H. L. Zhang^a, Z. H. Dong^a, Y. J. Liu^b, N. N. Zhou^a, P. P. Zhang^a, J. Wang^c,*

Chalcogenide Letters, Vol.22, No.3, pp. 205-221, 2025, DOI:10.15251/CL.2025.223.205

Abstract The structural, mechanical, electronic, and thermodynamic properties of CuC_xSnC_1-xTe (x = 0, 0.03125, 0.0625, 0.125, and 0.25) are investigated through first-principles calculations. The studied structures are all cubic and own negative enthalpy of formation. The elastic constants and mechanical properties (B, G, E and ν) are predicted. The bandgap of SnTe evaluated by HSE06 is 0.25 eV, closing to the experimental data 0.19 eV. All studied Cu-doped compounds behave metallic. In addition, the thermodynamic properties (G, H, S, C_P, and CC_V) of the materials, together with the bulk modulus and thermal expansion coefficient versus temperature have been More >

P. Kaushik^a,*, A. Devi^b, H. Singh^a

Chalcogenide Letters, Vol.22, No.3, pp. 197-204, 2025, DOI:10.15251/CL.2025.223.197

Abstract The structural properties of bulk as well as thin films of nanostructured Bi₁Te₁₅Se_84-x Pb_x (0 ≤ x ≤ 8) glassy alloys has been studied in this paper. Conventional melt quenching method is employed to prepare the samples of Bi₁Te₁₅Se_84-x Pb_x (0 ≤ x ≤ 8) alloys. Thin films with thickness of approximately 158nm of the obtained bulk compositions were deposited on dry cleaned glass substrates by thermal evaporation technique. The structural characterization was carried out using XRD and SEM. Energy dispersive X-ray spectroscopy (EDX) indicates that samples are nearly stoichiometric. X-ray diffraction patterns indicate that they are More >

S. W. Jo^†, I. H. Kim^†, Y. J. Jeong^*

Chalcogenide Letters, Vol.22, No.3, pp. 189-196, 2025, DOI:10.15251/CL.2025.223.189

Abstract Copper selenide has emerged as a promising thermoelectric material due to its unique structural properties and tunable electronic band structure. However, its practical application is hindered by its relatively high thermal conductivity. In this study, we report on the turning of thermal conductivity and thermoelectric energy conversion by preparing a hybrid composite material including nano- and micro-sized Cu₂Se. By employing a hydrothermal synthesis method with cetyltrimethylammonium bromide (CTAB) as a surfactant, we successfully synthesized nano-sized Cu_₂Se particles with uniform size distribution. The incorporation of these nano-sized particles with micro-sized Cu₂Se resulted in a significant reduction in More >