Physics of the Solid State最新文献_第8页

Predictive Modeling and Experimental Correlation of SnO2 Thin Films Synthesized by Ultrasonic Spray Pyrolysis for Gas Sensing Applications 气敏用超声喷雾热解合成SnO2薄膜的预测建模与实验关联

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-04-13 DOI: 10.1134/S1063783425603595

Salah Yahiaoui, Abdallah Attaf, Mohamed Othmane, Hanane Saidi, Mohamed Salah Aida

{"title":"Predictive Modeling and Experimental Correlation of SnO2 Thin Films Synthesized by Ultrasonic Spray Pyrolysis for Gas Sensing Applications","authors":"Salah Yahiaoui, Abdallah Attaf, Mohamed Othmane, Hanane Saidi, Mohamed Salah Aida","doi":"10.1134/S1063783425603595","DOIUrl":"10.1134/S1063783425603595","url":null,"abstract":"Tin dioxide (SnO2) thin films were synthesized using ultrasonic spray pyrolysis at a fixed substrate temperature of 400°C and a nozzle-to-substrate distance of 5 cm. SnCl2·2H2O was used as the precursor with molarities ranging from 0.01 to 0.1 mol/L. The influence of precursor molarity on the structural, morphological, optical, and electrical properties of the films was systematically investigated using X-ray diffraction, scanning electron microscopy, UV-Vis spectroscopy, and four-point probe measurements. As molarity increased, a clear evolution in film structure was observed: crystallite size decreased, surface morphology transitioned from porous to dense, and resistivity showed non-linear variation. Lower molarity films were found to have larger grains, higher porosity, and higher resistivity features known to enhance gas sensing performance due to increased surface reactivity and charge carrier modulation. To predict and interpret these variations, two multivariable models were proposed to correlate the optical band gap the first based on crystallite size and molarity, and the second on resistivity and molarity. The models exhibited strong agreement with experimental values. The resistivity-based model proved more robust, with prediction errors below 1.8%, and as low as 0.08% in some cases, while the crystallite-size-based model exhibited larger deviations, particularly at higher concentrations (up to 4.2%). Despite the absence of direct gas sensitivity measurements, the structural and electrical insights obtained provide a solid foundation for anticipating sensor behavior. These results demonstrate that combining experimental characterization with predictive modeling offers an effective strategy for tailoring SnO2 thin films for chemiresistive gas sensor applications prior to fabrication.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 4","pages":"354 - 366"},"PeriodicalIF":1.8,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147665747","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}

引用次数: 0

The Effect of Thermal-Diffusion Doping on CdS:Cu Single Crystals 热扩散掺杂对CdS:Cu单晶的影响

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-04-13 DOI: 10.1134/S1063783426600317

Huseyn Mikail Mammadov, Suleyman Nuslat Sarmasov

引用次数: 0

Comparative Study of Sol–Gel and Co-Precipitation Synthesized CoAl2O4 Spinels 溶胶-凝胶法与共沉淀法合成CoAl2O4尖晶石的比较研究

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-04-13 DOI: 10.1134/S1063783425603042

Devashish Sarkar, Purvee Bhardwaj, Lakhan Kumar Parmar, Anand Yadav

{"title":"Comparative Study of Sol–Gel and Co-Precipitation Synthesized CoAl2O4 Spinels","authors":"Devashish Sarkar, Purvee Bhardwaj, Lakhan Kumar Parmar, Anand Yadav","doi":"10.1134/S1063783425603042","DOIUrl":"10.1134/S1063783425603042","url":null,"abstract":"Cobalt aluminate (CoAl2O4) is a spinel oxide with notable structural stability and optical properties, making it a promising material for applications in pigments, sensors, and optoelectronics. In this study, CoAl2O4 samples were synthesized via two different methods: sol–gel auto-combustion (SGAC) using D‑Glucose (DG) and Aloe vera (AV) as fuel agents, and co-precipitation. The synthesized samples were analyzed by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, ultraviolet–visible (UV‑Vis) spectrophotometry, and photoluminescence (PL) measurements to analyze their structural and optical characteristics. Rietveld refinement of the XRD data revealed a cubic spinel structure (space group Fd–3m), with an average crystallite size ranging from 20.65 to 29.88 nm. Sol–gel derived samples exhibited lower microstrain values ((0.45–0.85) × 10–3) compared to co-precipitated samples (0.97 × 10–3), suggesting enhanced crystallinity and reduced lattice distortions. FT-IR spectra indicated characteristic Co–O and Al‒O vibrations. UV-Vis analysis revealed absorption features characteristic of Co2+ d–d transitions, and the optical band gaps, estimated using Tauc plots, ranged from 3.69 to 3.97 eV. The photoluminescence spectra displayed distinct emission peaks near 595 nm, corresponding to the electronic transition from the 4T1(P) excited state to the 4A2(F) ground state of Co2+ ions situated in tetrahedral sites. These findings emphasize the effectiveness of green fuels in modulating nanoscale properties and suggest that sol–gel synthesis with bio-derived fuels offers a sustainable alternative to traditional methods for tailoring functional spinel oxides.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 4","pages":"367 - 375"},"PeriodicalIF":1.8,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147665782","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}

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Novel Bis-Thiadiazole Compound: Synthetic, Optical Properties, and Computational Calculations 新型双噻二唑化合物：合成、光学性质和计算计算

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-04-13 DOI: 10.1134/S1063783426600366

Abdelrhman G. Abdelaal, Yasser H. Zaki, Sayed A. Ahmed, Hassan M. Abdel-aziz, Ahmed M. Hussein, Hitler Louis, Mohamed Habib Mrad, Abdullah A. Alotaibi, A. M. Kamal, A. M. Hassanien

{"title":"Novel Bis-Thiadiazole Compound: Synthetic, Optical Properties, and Computational Calculations","authors":"Abdelrhman G. Abdelaal, Yasser H. Zaki, Sayed A. Ahmed, Hassan M. Abdel-aziz, Ahmed M. Hussein, Hitler Louis, Mohamed Habib Mrad, Abdullah A. Alotaibi, A. M. Kamal, A. M. Hassanien","doi":"10.1134/S1063783426600366","DOIUrl":"10.1134/S1063783426600366","url":null,"abstract":"In this study, a novel compound, diethyl 5,5'-(isophthaloylbis(hydrazin-2-yl-1-ylidene))(5E,5'E)-bis(4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate), was designed and synthesized with a moderate yield. The structure of the bis-thiadiazole compound was elucidated through nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), mass spectrometry (MS), and elemental analysis techniques. Computational quantum mechanical calculations at the DFT level were employed to investigate its structure, including frontier molecular orbital (FMO), natural bond orbital (NBO) analysis, molecular electrostatic potential (MESP) analysis, and excited state calculations. The crystallographic structure of the bis-thiadiazole thin film was explored by X-ray diffraction (XRD) investigation. Absorbance spectra and photoluminescence (PL) of the investigated compound were used to deduce the molar absorption coefficient (({{varepsilon }_{{{text{molar}}}}})), the optical band transitions, and the emission peak position. The optical gap energy ((E_{{{text{gap}}}}^{{{text{opt}}}})) of bis-thiadiazole organic molecules in dimethyl sulfoxide (DMSO) and bis-thiadiazole thin films was estimated using the absorbance spectrum fitting (ASF) approach. The current research has been focused on the development of novel, effective, and selective organic compounds for potential applications in various modern fields, including optical materials, as well as in medical and biological research.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 4","pages":"376 - 387"},"PeriodicalIF":1.8,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147665748","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}

引用次数: 0

Effect of a Doping Gradient on the Performance of HTL-Free Mixed-Halide Perovskite Solar Cells: A Simulation Study 掺杂梯度对无html混合卤化物钙钛矿太阳能电池性能的影响：模拟研究

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-04-13 DOI: 10.1134/S1063783425604114

Ameer Humza Awan, Muhammad Shakaib, Muhammad Ehtesham ul Haque

{"title":"Effect of a Doping Gradient on the Performance of HTL-Free Mixed-Halide Perovskite Solar Cells: A Simulation Study","authors":"Ameer Humza Awan, Muhammad Shakaib, Muhammad Ehtesham ul Haque","doi":"10.1134/S1063783425604114","DOIUrl":"10.1134/S1063783425604114","url":null,"abstract":"This study examines a perovskite solar cell with HTL-free arrangement, using Cs0.05(FA0.77MA0.23)0.95Pb(I0.77Br0.23)3 as the absorber and TiO2 as the electron transport layer (ETL). The photovoltaic performance of the solar cell is assessed using the SCAPS-1D software tool by varying several parameters such as doping concentration gradients, layer thickness, defect density, and the number of subdivided layers. The results indicate that the doping gradients in the perovskite absorber exert the most significant influence on efficiency, underscoring the critical role of layer engineering. The optimal value of doping gradient results in 30% enhancement in power conversion, in comparison to uniform doping. The efficiency for power conversion for the optimized configuration is found equal to 21.77% and the corresponding values of the open-circuit voltage, short-circuit current and fill factor are 1.16 V, 21.32 mA cm–2, and 87.46%, respectively. These insights provide a foundation for future advancements in material optimization, stability improvement, and scalable fabrication, driving the development of next-generation perovskite solar technologies.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 4","pages":"342 - 353"},"PeriodicalIF":1.8,"publicationDate":"2026-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147665784","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}

引用次数: 0

Impact of V2O5 Doping on the AC Conductivity and Dielectric Relaxation Properties of K0.5Na0.5NbO3 Ceramics V2O5掺杂对K0.5Na0.5NbO3陶瓷交流电导率和介电弛豫性能的影响

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-03-13 DOI: 10.1134/S1063783425603650

Kamala Sujani Dasary, K. V. Ramesh, A. V. N. Ramalingeswara Rao

{"title":"Impact of V2O5 Doping on the AC Conductivity and Dielectric Relaxation Properties of K0.5Na0.5NbO3 Ceramics","authors":"Kamala Sujani Dasary, K. V. Ramesh, A. V. N. Ramalingeswara Rao","doi":"10.1134/S1063783425603650","DOIUrl":"10.1134/S1063783425603650","url":null,"abstract":"Lead-free K0.5Na0.5NbO3 (KNN) ceramics doped with varying concentrations of V2O5 (0, 1, 3, 5, and 9 mol %) were synthesized via a conventional solid-state method and sintered at 1100°C to evaluate the effects of vanadium modification on structural and electrical behavior. X-ray diffraction and Rietveld refinement confirmed the preservation of an orthorhombic perovskite structure for all compositions, with systematic lattice distortions and the emergence of minor secondary phases at higher V2O5 levels, indicating partial substitution and limited solubility. Dielectric, impedance, and modulus analyses conducted over 30 Hz–1 MHz and 30–400°C revealed thermally activated relaxation and non-Debye response characteristics. The AC conductivity exhibited dispersive behavior consistent with Jonscher’s universal power law, reaching a maximum value on the order of 10–4 S cm–1 at elevated temperatures. Electrical transport was governed predominantly by grain-boundary effects and small-polaron hopping facilitated by V-induced defect states and oxygen vacancies. Increasing V2O5 content resulted in reduced DC conductivity and higher activation energy, attributed to a decreased concentration of mobile oxygen-based charge carriers and the electronic influence of vanadium. Among the examined compositions, 5 mol % V2O5 provided the best balance between conductivity enhancement and dielectric stability. Overall, the results demonstrate that controlled V2O5 incorporation is an effective strategy to tailor defect chemistry, conduction mechanisms, and dielectric response in KNN-based lead-free functional ceramics for high-temperature applications.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 3","pages":"246 - 259"},"PeriodicalIF":1.8,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147441703","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}

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Nanocomposites Based on Multilayer Carbon Nanotubes and Gallium Selenide Synthesized by Laser Ablation in Liquid 液体激光烧蚀法制备多层碳纳米管与硒化镓纳米复合材料

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-03-13 DOI: 10.1134/S1063783425600864

A. M. Aliyeva, F. V. Hajiyeva, V. M. Salmanov, A. G. Guseinov, M. A. Jafarov, R. M. Mamedov

引用次数: 0

First Principles Study of Structural, Electronic, Magnetic, and Elastic Properties of Ir2CrZ (Z = Ga,Ge) Ir2CrZ （Z = Ga,Ge）结构、电子、磁性和弹性的第一性原理研究

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-03-13 DOI: 10.1134/S1063783425603133

Djilali Amari, Haroun Righi, Mohamed Mokhtari, Soumia Zeffane, Fethallah Dahmane

{"title":"First Principles Study of Structural, Electronic, Magnetic, and Elastic Properties of Ir2CrZ (Z = Ga,Ge)","authors":"Djilali Amari, Haroun Righi, Mohamed Mokhtari, Soumia Zeffane, Fethallah Dahmane","doi":"10.1134/S1063783425603133","DOIUrl":"10.1134/S1063783425603133","url":null,"abstract":"Within the framework of density functional theory (DFT), the structural, electronic, magnetic, and elastic properties of Ir2CrZ (Z = Ga,Ge) full-Heusler alloys are investigated. A comparison is made between the Cu2MnAl and Hg2CuTi type structures. It has been discovered that the Cu2MnAl structure’s ferromagnetic state is energetically more stable than the Hg2CuTi state. Spin-polarized computations reveal that the spin-up electrons of the Ir2CrZ (Z = Ga,Ge) compounds exhibit metallic behavior in both the Cu2MnAl and Hg2CuTi structures. For the spin-down electrons, metallic behavior is observed in the Hg2CuTi structure, whereas in the Cu2MnAl structure, they exhibit semiconducting behavior. Ir2CrZ, where Z is either Ga or Ge, is a half-metallic ferromagnet (HMF) with a magnetic moment of 3.0 and 4.0 µB/f.u, respectively. Theoretically, this research will result in experimental efforts in the subject of spintronics and its applications.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 3","pages":"290 - 299"},"PeriodicalIF":1.8,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147441838","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}

引用次数: 0

First-Principles Investigation of the Structural, Electronic, and Thermoelectric Properties of YPtxNi1–xSb Half-Heusler Alloys with x = 0, 0.25, 0.50, 0.75, and 1 x = 0、0.25、0.50、0.75和1时YPtxNi1-xSb半heusler合金结构、电子和热电性能的第一性原理研究

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-03-13 DOI: 10.1134/S1063783425603807

Said Chahlat, Sabrina Bounab, Lahcene Nasri, Abdelouahab Bentabet

{"title":"First-Principles Investigation of the Structural, Electronic, and Thermoelectric Properties of YPtxNi1–xSb Half-Heusler Alloys with x = 0, 0.25, 0.50, 0.75, and 1","authors":"Said Chahlat, Sabrina Bounab, Lahcene Nasri, Abdelouahab Bentabet","doi":"10.1134/S1063783425603807","DOIUrl":"10.1134/S1063783425603807","url":null,"abstract":"This study presents a comprehensive first-principles investigation of the structural, electronic, and thermoelectric properties of the YPtxNi1–xSb (x = 0, 0.25, 0.50, 0.75, 1) half-Heusler alloys, using density functional theory within the generalized gradient approximation (PBEsol). Our calculations of the lattice constant and bulk modulus for the parent compounds YNiSb and YPtSb show excellent agreement with available data. A key and unusual finding is the anomalous simultaneous increase in both the lattice parameter and the bulk modulus with rising Pt concentration, which deviates from the typical inverse correlation. Electronic band structure calculations reveal that all compositions are direct bandgap semiconductors. Furthermore, an analysis of the thermoelectric transport properties using the BoltzTraP code demonstrates high Seebeck coefficients and promising power factors for both p-type and n-type doping. The identified narrow direct bandgap in the YPtxNi1–xSb series suggests these materials are not only promising for efficient thermoelectric applications but also hold potential for infrared electronic and optoelectronic devices.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 3","pages":"236 - 245"},"PeriodicalIF":1.8,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147441839","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}

引用次数: 0

Topological Phase Diagram in Finite-Thickness Semiconductor Nanowires with Proximity-Induced Chemical Potential, Zeeman Splitting, and Superconducting Gap 具有近似诱导化学势、塞曼分裂和超导间隙的有限厚度半导体纳米线拓扑相图

IF 1.8 4区物理与天体物理

Physics of the Solid State Pub Date : 2026-03-13 DOI: 10.1134/S1063783425603029

Chol-Song Yun, Chol Gyu Nam, Hak-Bom Kang, Chang-Il Kim, Chol-Jin Kang

引用次数: 0