Solid State Communications最新文献

{"title":"Preparation of ZnFe1La1O4 spinel ferrites followed by dielectric, electrical and optical investigations for energy conservation applications","authors":"S. Urossha ,&nbsp;M. Zulqarnain ,&nbsp;S.S. Ali ,&nbsp;U. Hira ,&nbsp;S.A. Zahra ,&nbsp;Imed Boukhris ,&nbsp;Ali El-Rayyes","doi":"10.1016/j.ssc.2025.116123","DOIUrl":"10.1016/j.ssc.2025.116123","url":null,"abstract":"<div><div>We report synthesis of La³⁺-doped zinc ferrites via sol-gel auto-combustion, followed by stepwise annealing up to 900 °C for 2 h. Growth in average crystallite size from 12.2 nm to 13.5 nm has been observed as a result of Ostwald ripening process. Lattice parameter for the most prominent peak (311) increases from 8.1855 to 8.2179 Å consistent with Vegard's law. The material exhibited high specific surface areas and real part of dielectric constant coupled with low values of imaginary part of dielectric constant and dielectric tangent loss lead towards the potential utilization in energy conservation particularly in high frequency super-capacitors. Nyquist and Cole-Cole plots confirmed non-Debye relaxation mechanism with distinct contributions from grain and grain boundaries. The semiconducting nature was verified by resistivity values in the range of 16.8 × 10⁻⁵ to 20.5 × 10⁻⁵ Ω m. The optical band gaps decreased from 2.53 eV to 1.31 eV, broadening the applicability of the material to photocatalysis and sensor technologies. Furthermore, the higher refractive index values and metallization criterion (0.25–0.36) highlights the suitability of La³⁺-doped zinc ferrites for advanced non-linear optical applications and hetero-laser systems. The Urbach energy variation from 796 to 6102 meV reflects a delicate balance between crystallization and defect generation, crucial for tuning the optical behavior of nanostructured ferrites. The magnetic permeability (μ_m) response across energy ranges highlights the influence of thermal treatment on the magnetic, optical, and dielectric interplay, reinforcing the material's potential for energy storage and optoelectronic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116123"},"PeriodicalIF":2.4,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrothermally synthesized dual-functional tin (II) sulfide nanoparticles: Photonic response and pressure sensing applications","authors":"N.N. Prajapati ,&nbsp;N.T. Sailor ,&nbsp;P.B. Patel ,&nbsp;H.N. Desai ,&nbsp;J.M. Dhimmar ,&nbsp;B.P. Modi","doi":"10.1016/j.ssc.2025.116117","DOIUrl":"10.1016/j.ssc.2025.116117","url":null,"abstract":"<div><div>Tin (II) sulfide (SnS) nanoparticles exhibit notable characteristics such as a direct band gap, non-toxicity, and cost-effectiveness, making them attractive for diverse applications. This research focuses on synthesizing SnS nanoparticles using a budget-friendly hydrothermal method and conducting comprehensive characterization. Energy-dispersive X-ray spectroscopy and scanning electron microscopy analyses confirmed the high purity and orthorhombic-like structure by examining composition and surface morphology. High resolution transmission electron microscopy with selected area electron diffraction was carried out for plane validation. X-ray photoelectron spectroscopy implies the energy levels of Sn and S, aiming to determine binding states and chemical composition. X-ray diffraction provided detailed information on the crystallographic parameters with 30.80 nm crystallite size. Ultraviolet–Visible spectroscopy indicated a band gap of 1.62 eV, suitable for light conversion applications. The nanoparticles exhibited illumination-dependent photo-response, with enhanced photocurrent and low trap density indicating potential for light-driven functionalities. Additionally, this study demonstrates the integration of SnS nanoparticles into flexible PVA/PU sponge-based pressure sensor, achieving a sensitivity of 13.105 kPa⁻¹ over a 3.92–13.7 kPa pressure range. This dual functionality combining photodetection with sensitive pressure sensing application makes SnS nanoparticles as a versatile material for next-generation optoelectronic and wearable sensor technologies.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116117"},"PeriodicalIF":2.4,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of heavy metal atom doping in black phosphorene from first-principles calculations","authors":"Huihui Liu,&nbsp;Xinxin Wang,&nbsp;Zhenlong Lv","doi":"10.1016/j.ssc.2025.116118","DOIUrl":"10.1016/j.ssc.2025.116118","url":null,"abstract":"<div><div>First-principles density functional theory (DFT) calculations are powerful tools for investigating the properties of materials at the atomic and electronic scales. In this study, we use DFT to explore the geometric structures, electronic properties, and thermodynamic stabilities of substitutionally doped phosphorene sheets with elements from Groups IB and IIB of the periodic table. We find that the electronic properties of phosphorene are drastically modified by the <em>d</em>-orbital electrons of dopant atoms. With the exception of Ag- and Au-doped phosphorene, which retain semiconducting properties with reduced band gaps, doping with other heavy metal atoms (Cu, Zn, Cd, and Hg) induces distinct metallic characteristics. This semiconductor-to-metal transition primarily stems from the strong <em>p-d</em> orbital hybridization between dopants and the phosphorus atoms. Furthermore, the calculated formation energies of substitutionally doped phosphorene systems reveal that partially doped configurations can attain thermodynamic stability under suitable synthesis conditions. These results offer valuable guidance for designing novel 2D materials with tunable electronic and thermodynamic properties.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116118"},"PeriodicalIF":2.4,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144904060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anisotropic magnetocaloric effect in antiferromagnetic DyTe3 single crystal","authors":"Zilu Xia ,&nbsp;Lina Jiang ,&nbsp;Haifeng Chen ,&nbsp;Cuicui Hu ,&nbsp;Fang Tang ,&nbsp;Yong Fang ,&nbsp;Jingguo Hu ,&nbsp;Zhida Han","doi":"10.1016/j.ssc.2025.116119","DOIUrl":"10.1016/j.ssc.2025.116119","url":null,"abstract":"<div><div>We systematically report the magnetic properties and anisotropic magnetocaloric effect (MCE) of DyTe₃ single crystals. Magnetic measurements reveal a second-order paramagnetic to antiferromagnetic phase transition at the Néel temperature <em>T</em>_N ≈ 4.5 K. Strong magnetic anisotropy is observed between <em>μ</em>₀<em>H</em>//<em>ac</em> plane and <em>μ</em>₀<em>H</em>//<em>b</em> axis, with the easy magnetization direction lying along the <em>ac</em> plane. Isothermal magnetization curves and specific heat measurements show field-induced spin reorientation and metamagnetic transitions. The MCE properties, including magnetic entropy change (−Δ<em>S</em>_M), adiabatic temperature change (Δ<em>T</em>_ad), and refrigerant capacity (<em>RC</em>), were systematically evaluated. Under a 7 T field change, maximum values of −Δ<em>S</em>_M = 14.75 J/kg K, Δ<em>T</em>_ad = 7.5 K, and <em>RC</em> = 162.3 J/kg were obtained along the easy plane. A considerable rotating MCE is also observed due to the strong magnetic anisotropy in DyTe₃. These results suggest that DyTe₃ is a promising candidate for low-temperature magnetic refrigeration applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116119"},"PeriodicalIF":2.4,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144895692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Maximum transition temperatures for alloy groups and in BCS theory","authors":"X.H. Zheng ,&nbsp;J.X. Zheng","doi":"10.1016/j.ssc.2025.116105","DOIUrl":"10.1016/j.ssc.2025.116105","url":null,"abstract":"<div><div>The mythical 40 K limit from the McMillan formula is for an alloy group hosting V<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>Si. It is not an overall limit in the BCS theory. An improved formula gives <span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>c</mi></mrow></msub><mo>≤</mo><mn>0</mn><mo>.</mo><mn>16</mn><mspace></mspace><mi>Θ</mi></mrow></math></span> for alloy groups with Debye temperature <span><math><mi>Θ</mi></math></span>, 72 K for the nickel-based group and 400 K in the BCS theory. Accordingly, the carbon-based group is the only fitting candidate under active investigation to host a room-temperature superconductor under ambient pressure.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116105"},"PeriodicalIF":2.4,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144865811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT analysis of rare-earth double perovskite oxides KXSn2O6 (X = Pr, Nd)","authors":"Nasir Rahman ,&nbsp;Amir Ullah ,&nbsp;Ahmed Azzouz-Rached ,&nbsp;Mudasser Husain ,&nbsp;M.D. Alshahrani ,&nbsp;Amani H. Alfaifi ,&nbsp;Khamael M. Abualnaja ,&nbsp;Wafa Mohammed Almalki ,&nbsp;Eman Almutib ,&nbsp;Muawya Elhadi ,&nbsp;Vineet Tirth ,&nbsp;Abid Ali Khan ,&nbsp;Muhammad Imran Saleem","doi":"10.1016/j.ssc.2025.116110","DOIUrl":"10.1016/j.ssc.2025.116110","url":null,"abstract":"<div><div>In this study, we employ density functional theory (DFT) to investigate the structural, electronic, optical, elastic, magnetic, and thermal properties of rare-earth-based double perovskite oxides KXSn₂O₆ (X = Pr, Nd). Both compounds crystallize in the cubic Fm3 <span><math><mrow><mover><mrow><mo>̅</mo><mi>m</mi></mrow><mo>‾</mo></mover></mrow></math></span> space group, with optimized lattice constants of 8.243 Å (KPrSn₂O₆) and 8.215 Å (KNdSn₂O₆). Their structure comprises corner-sharing SnO₆ octahedra and A-site Pr/Nd ions forming mixed ionic-covalent bonds. Negative formation energy, phonon dispersion, and the Birch–Murnaghan equation of state confirm structural stability. Electronic band structures using the mBJ potential show spin-polarized indirect semiconducting gaps of 2.095 eV (Pr) and 2.374 eV (Nd) in the spin-down channel. The valence band is dominated by O-2p states, while conduction bands involve Sn-5p/5d and Pr/Nd-4f orbitals, suggesting optoelectronic and spintronic utility. Strong UV absorption begins at 2.2–2.5 eV, with absorption peaks in the range of 6 eV–13 eV KPrSn₂O₆ exhibits higher optical constants (<em>n</em> ≈ 6.6, R ≈ 68 %) than KNdSn₂O₆ (<em>n</em> ≈ 1.9, R ≈ 45 %). Elastic constants validate mechanical stability, with Young's moduli of 280 GPa (Pr) and 270 GPa (Nd), and Pugh's ratios indicating ductility. Magnetic analysis reveals total moments of 2.00 μB (Pr) and 2.99 μB (Nd), mainly from rare-earth 4f-electrons. Thermal assessments show Debye temperatures of 581 K (Pr) and 567 K (Nd), indicating strong lattice stiffness and high melting points. These findings highlight KXSn₂O₆ as a promising multifunctional candidate for UV optoelectronics, spintronics, and high-temperature electronics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116110"},"PeriodicalIF":2.4,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144860595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of mechanical, optical, electrical and structural properties of magnesium-based double perovskites Mg2XH6 (X= V, Cr) for hydrogen storage applications using DFT","authors":"Rachid Oualaid ,&nbsp;Youssef El bid ,&nbsp;Najib El Biaze ,&nbsp;Rachid Markazi ,&nbsp;Khadija El-moudenib ,&nbsp;Mohamed Bouzelmad ,&nbsp;Abdeljabar Aboulkassim","doi":"10.1016/j.ssc.2025.116102","DOIUrl":"10.1016/j.ssc.2025.116102","url":null,"abstract":"<div><div>A first-principles study was conducted to explore advanced hydrogen storage materials by systematically investigating the mechanical, electronic, optical, and thermodynamic properties of <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mi>X</mi><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> (X = V, Cr). These latters are investigated using the CASTEP software in which the calculus are based on the approximations GGA-PBE and HSE06 hybrid functional. Both hydrides exhibit thermodynamic, mechanical and dynamic stability, as confirmed by their negative formation enthalpies, Born mechanical stability criteria, phonon dispersion curves, and thermodynamic properties analysis. Our first-principles calculations reveal that <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mi>V</mi><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> has a larger lattice constant (6.75 Å) compared to <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mtext>Cr</mtext><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> (6.60 Å). Electronic structure analysis reveals a zero-band gap, indicating metallic behavior. Optical properties analysis reveals that both hydrides exhibit a strong response in the ultraviolet region. Furthermore, both compounds exhibit high hydrogen storage capacities, with gravimetric capacities (<span><math><mrow><msub><mi>C</mi><mtext>wt</mtext></msub><mo>%</mo></mrow></math></span>) of 5.73 wt% for <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mi>V</mi><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> and 5.67 wt% for <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mtext>Cr</mtext><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span>. The formation enthalpies are (<span><math><mrow><msub><mrow><mo>Δ</mo><mi>H</mi></mrow><mi>f</mi></msub></mrow></math></span> = −2.48 eV/atom) for <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mi>V</mi><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> and (<span><math><mrow><msub><mrow><mo>Δ</mo><mi>H</mi></mrow><mi>f</mi></msub><mo>=</mo></mrow></math></span>-2.40 eV/atom) for <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mtext>Cr</mtext><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span>. According to thermodynamic analysis, <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mtext>Cr</mtext><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> has a lower desorption temperature (590.51 K) than <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mi>V</mi><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> (610.25 K).</div><div>In our study of the double perovskite hydride of <span><math><mrow><msub><mtext>Mg</mtext><mn>2</mn></msub><mi>X</mi><msub><mi>H</mi><mn>6</mn></msub></mrow></math></span> (X = V, Cr), we show that these latters are promising candidates for hydrogen storage and fuel cell applications, due to their favorable hydrogen storage capacity, excellent stability and also their ","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116102"},"PeriodicalIF":2.4,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144885776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles study of CO adsorption using metal-doped single vacancy defective graphene","authors":"Yuanye Tian,&nbsp;Yuhang Ding,&nbsp;Liuxu Zhao,&nbsp;Chunlei Kou,&nbsp;Miao Zhang,&nbsp;Lili Gao","doi":"10.1016/j.ssc.2025.116108","DOIUrl":"10.1016/j.ssc.2025.116108","url":null,"abstract":"<div><div>In this study, we investigate the adsorption behavior of CO molecules on pristine graphene, single vacancy defective graphene, and metal-doped single vacancy defective graphene using first-principles calculations based on density functional theory. By comparing the adsorption energy, adsorption distance, charge transfer, charge density differences, band structure, density of states, and work function of CO molecules on different substrates, we demonstrate that single vacancy defective moderately enhance CO adsorption on graphene compared to pristine graphene. Doping single vacancy defective graphene with metal atoms significantly improves the adsorption energy, increases charge transfer, and reduces the adsorption distance between the substrate and CO. Notably, transition metals Mn and Ni exhibit the strongest interaction with CO gas when doped into single vacancy defective graphene, and Mn-SVG and Ni-SVG are suitable for CO detection in controlled environments, which demonstrating their potential as CO gas sensor materials. This study not only offers critical insights for developing CO gas sensor materials but also suggests a novel strategy for designing other polar gas sensors.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116108"},"PeriodicalIF":2.4,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144865810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comprehensive evaluation of nonlinear optical materials: Synthesis, growth, spectral, photoluminescence, LDT, photoconductivity, thermal, antibacterial and second harmonic generation analysis","authors":"M. Mohanraj,&nbsp;M. Parthasarathy","doi":"10.1016/j.ssc.2025.116113","DOIUrl":"10.1016/j.ssc.2025.116113","url":null,"abstract":"<div><div>The low-temperature solution technique is an effective method for growing high-quality single crystals, such as Bis(D-phenylglycinium) sulfate monohydrate. This exceptional compound unequivocally crystallises within the monoclinic space group P2₁, as demonstrated by X-ray diffraction analysis. FT-IR and FT-Raman spectroscopy confirmed the presence of various functional groups and their corresponding vibrational modes. FT-NMR analyses verified the presence of hydrogen and carbon atoms in the synthesised material. The optical properties of the compound were characterised by the UV–Visible absorption spectrum, which revealed a cut-off wavelength of 230 nm and indicated a bandgap of 5.4 eV, suggesting superior optical quality for potential applications. The material's low Urbach energy implies minimal impurities, while photoluminescence testing revealed an extraordinary violet emission, a characteristic that underscores its suitability for NLO applications. HR-SEM and EDAX provided insightful images, illuminating the sample's surface structure, intricate morphology, and precise elemental composition with remarkable clarity and resolution. With an impressive laser damage threshold of 10.7 GW/cm², this material exhibits a notable resilience compared to its counterparts. Thermogravimetric analysis revealed a melting point of 273 °C, indicating commendable thermal stability. Investigations into the photoconductivity of the material revealed its positive photoconductive behaviour, a crucial trait for advanced applications. Remarkably, this compound has demonstrated significant antibacterial efficacy against gram-negative bacteria, and its SHG efficiency measured at 1.3 times that of the standard KDP, accentuates its promising potential in the fields of photonics and pharmaceutical chemistry.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116113"},"PeriodicalIF":2.4,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144878683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-performance thermoelectric properties of oriented and non-stoichiometric AgSnTe2 thin film","authors":"Arslan Ashfaq ,&nbsp;M.Yasir Ali ,&nbsp;Adnan Ali ,&nbsp;Khalid Mahmood ,&nbsp;Shaimaa A.M. Abdelmohsen ,&nbsp;Meznah M. Alanazi ,&nbsp;Lana M. Sulayem ,&nbsp;Ahmed H. Ragab","doi":"10.1016/j.ssc.2025.116116","DOIUrl":"10.1016/j.ssc.2025.116116","url":null,"abstract":"<div><div>This work studies the thermoelectric behavior of oriented, non-stoichiometric AgSnTe₂ thin films, focusing on how post-annealing influences their structural and electrical characteristics. Deviations from stoichiometry introduce a higher density of intrinsic point defects and facilitate the emergence of secondary phases, both of which play a critical role in charge carrier dynamics. Post-annealing significantly enhances electrical conductivity by improving grain connectivity and introducing additional charge transport pathways. Thermal treatment at 673 K leads to a pronounced rise in the Seebeck coefficient, increasing from 47.9 μV/K in the as-deposited state to 97.3 μV/K. This improvement is attributed to a combination of factors, including the creation of energy-filtering grain boundaries, the presence of defect-induced localized states, and improved crystallinity. At 450 K, the post-annealed films exhibit a maximum thermoelectric power factor of 26.8 μW cm⁻¹ K⁻², reflecting a favorable balance between electrical conductivity and thermopower. Structural analysis via XRD and SEM confirms the formation of Ag₂Te secondary phases and grain boundaries through post-annealing, which collectively contribute to enhanced carrier mobility and energy filtering. These findings demonstrate that controlled post-annealing not only tailors the microstructure but also optimizes the carrier transport mechanisms in AgSnTe₂ thin films, highlighting their promise for mid-temperature thermoelectric energy conversion applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116116"},"PeriodicalIF":2.4,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}