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A comparative study of correlation and relativistic effects on atomic ionization energy 原子电离能的相关效应与相对论效应之比较研究
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-02-01 Epub Date: 2026-01-19 DOI: 10.1016/j.rinp.2026.108588
Mohamed Kahil , Fatima Fakih , Nabil Joudieh , Nidal Chamoun
{"title":"A comparative study of correlation and relativistic effects on atomic ionization energy","authors":"Mohamed Kahil ,&nbsp;Fatima Fakih ,&nbsp;Nabil Joudieh ,&nbsp;Nidal Chamoun","doi":"10.1016/j.rinp.2026.108588","DOIUrl":"10.1016/j.rinp.2026.108588","url":null,"abstract":"<div><div>This study investigates the interplay between relativistic effects and electron correlation effects on the first ionization energies of heavy atoms (Au through Rn, Z = 79–86). We perform two complementary analyses: (1) comparing relativistic corrections computed at both the Hartree-Fock (HF) and coupled cluster CCSD(T) levels to assess how correlation influences the magnitude of relativistic corrections, and (2) comparing correlation corrections computed within both non-relativistic and relativistic frameworks to determine how relativity influences the magnitude of correlation corrections.</div><div>Our results reveal a striking non-linear relationship between these two effects. Specifically, the combined effect of relativity and correlation on ionization energy does not equal the sum of their individual contributions. This non-additivity indicates that relativistic and correlation effects are not independent; they interact in complex ways that depend on the atomic system. We find that for some atoms, the two effects enhance each other, while for others they partially cancel. Moreover, the order in which one may add “separate” effects also counts, in that adding “pure” relativistic effects to the remaining outcome (including correlation) would give a different result than when adding “pure” correlation effects to the remaining outcome (including relativity).</div><div>These findings demonstrate that relativistic and correlation effects are inherently non-additive, reflecting the non-linearity of the quantum many-body problem. Accurate computational predictions of ionization energies in heavy-element systems thus require simultaneous treatment of both effects rather than treating them as independent contributions</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"81 ","pages":"Article 108588"},"PeriodicalIF":4.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Electrochemical immunosensor based on Au-NPs/Fe2O3/CeO2 nanocomposite for aflatoxin B1 detection 基于Au-NPs/Fe2O3/CeO2纳米复合材料的黄曲霉毒素B1检测电化学免疫传感器
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-02-01 Epub Date: 2026-01-05 DOI: 10.1016/j.rinp.2026.108578
Ayesha Ijaz , Muhammad Asif , Urfi ishrat , Eman Kashita , Attalla F. El-kott , Mohammed A. AlShehri , Eman A Al-Shahari , Mohd Taukeer Khan , Mahvish Fatima , Zukhra Atamuratova , Muhammad Hammad Aziz
{"title":"Electrochemical immunosensor based on Au-NPs/Fe2O3/CeO2 nanocomposite for aflatoxin B1 detection","authors":"Ayesha Ijaz ,&nbsp;Muhammad Asif ,&nbsp;Urfi ishrat ,&nbsp;Eman Kashita ,&nbsp;Attalla F. El-kott ,&nbsp;Mohammed A. AlShehri ,&nbsp;Eman A Al-Shahari ,&nbsp;Mohd Taukeer Khan ,&nbsp;Mahvish Fatima ,&nbsp;Zukhra Atamuratova ,&nbsp;Muhammad Hammad Aziz","doi":"10.1016/j.rinp.2026.108578","DOIUrl":"10.1016/j.rinp.2026.108578","url":null,"abstract":"<div><div>Even at trace levels, aflatoxin B<sub>1</sub> (AFB<sub>1</sub>) is a highly poisonous and carcinogenic mycotoxin that poses major concerns to human health and food safety. This work describes the creation of a unique Au-NPs/Fe<sub>2</sub>O<sub>3</sub>/CeO<sub>2</sub> nanohybrid that combines the superior electrical conductivity of gold nanoparticles with the catalytic and redox characteristics of cerium–iron oxides in order to answer the pressing demand for sensitive and dependable detection. XRD, FTIR, BET, SEM, XPS, cyclic voltammetry, and electrochemical impedance spectroscopy were used to thoroughly characterize the structural, morphological, and electrochemical characteristics of the produced nanocomposite. With a wide linear range of 10–50 ng/mL, a low detection limit of 0.1 ng/mL, high sensitivity, acceptable repeatability, and consistent performance over 18 days, the resulting immunoelectrode allowed for label-free impedimetric detection of AFB<sub>1</sub>. These results demonstrate the strong potential of the proposed nanohybrid-based biosensor for practical food safety monitoring and real-world toxin detection applications.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"81 ","pages":"Article 108578"},"PeriodicalIF":4.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Symmetrical graphene–Au–Ag plasmonic terahertz metasurface with machine learning–assisted concentric resonators for high-sensitivity refractive index biosensing of colorectal and breast cancer biomarkers 对称石墨烯-金-银等离子体太赫兹超表面与机器学习辅助同心谐振器用于结直肠癌和乳腺癌生物标志物的高灵敏度折射率生物传感
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-02-01 Epub Date: 2026-01-30 DOI: 10.1016/j.rinp.2026.108591
M. Murugesan , N. Malligeswari , Giri.G. Hallur , U. Arun Kumar
{"title":"Symmetrical graphene–Au–Ag plasmonic terahertz metasurface with machine learning–assisted concentric resonators for high-sensitivity refractive index biosensing of colorectal and breast cancer biomarkers","authors":"M. Murugesan ,&nbsp;N. Malligeswari ,&nbsp;Giri.G. Hallur ,&nbsp;U. Arun Kumar","doi":"10.1016/j.rinp.2026.108591","DOIUrl":"10.1016/j.rinp.2026.108591","url":null,"abstract":"<div><div>Detecting cancer biomarkers at picomolar and femtomolar levels remains challenging due to the limited sensitivity of many clinical assays and their reliance on invasive sample collection. This work presents a terahertz metasurface biosensor integrated with machine learning for label-free identification of colorectal and breast cancer biomarkers. The proposed biosensor consists of a silicon dioxide substrate, a monolayer graphene layer, and hybrid plasmonic resonators formed using gold and silver. The metasurface comprises of circular resonators with a diameter of 500 nm arranged on a 10 μm graphene-coated square base, while concentric silver-coated rings with outer diameters of 1000 nm and 1500 nm to enhance electromagnetic field confinement in the terahertz regime. This hybrid graphene-plasmonic configuration increases light-matter interactions and improves the overall sensing performance. The graphene chemical potential is adjusted through full-wave electromagnetic simulations from 0.1 to 0.9 eV and the design sustains stable operation up to an incidence angle of 80°. A maximum refractive index sensitivity of 1000 GHz/RIU was obtained using geometric optimizations. Transmittance response differences were observed in the refractive index ranges 1.329–1.401 RIU for colorectal cancer biomarkers and 1.385–1.401 RIU for breast cancer biomarkers. The proposed design exhibits a Q factor &gt; 1 and a figure of merit of 4.348 RIU<sup>−1</sup>, signifying its appropriateness for low-volume and high-precision biosensing. The proposed graphene-based terahertz metasurface illustrates stable angular performance, high refractive-index sensitivity, and reliable discrimination of two clinically relevant cancer biomarker groups across a broad refractive-index window. The strong linear relationship between resonance frequency and refractive index established through both regression analysis and machine learning validation also validates the reliability of the sensing mechanism. By enabling non-invasive, early-stage cancer biomarker detection with minimal sample requirements, this work supports Sustainable Development Goal 3 (Good Health and Well-Being) as it provides a development of accessible and advanced diagnostic technologies for improved healthcare outcomes.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"81 ","pages":"Article 108591"},"PeriodicalIF":4.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
International Advisory Board 国际咨询委员会
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-02-01 Epub Date: 2026-02-17 DOI: 10.1016/S2211-3797(26)00021-5
{"title":"International Advisory Board","authors":"","doi":"10.1016/S2211-3797(26)00021-5","DOIUrl":"10.1016/S2211-3797(26)00021-5","url":null,"abstract":"","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"81 ","pages":"Article 108595"},"PeriodicalIF":4.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147421935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Building renewable energy electricity production for climate risk mitigation: a mathematical logistic growth model perspective 建设可再生能源发电以缓解气候风险:一个数理逻辑增长模型的视角
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-02-01 Epub Date: 2026-01-16 DOI: 10.1016/j.rinp.2026.108580
Thadei Damas Sagamiko , Joseph David Madasi
{"title":"Building renewable energy electricity production for climate risk mitigation: a mathematical logistic growth model perspective","authors":"Thadei Damas Sagamiko ,&nbsp;Joseph David Madasi","doi":"10.1016/j.rinp.2026.108580","DOIUrl":"10.1016/j.rinp.2026.108580","url":null,"abstract":"<div><div>Climate threat intensifies the urgency for production of sustainable energy from the renewable resources for reducing greenhouse gas emissions and enhance resilience. Using the historical data from the period of 2000 to 2024, this study investigates renewable energy electricity production as a mitigation strategy to climate risks, modelled through a mathematical logistic growth framework. Findings unveil critical transition points beyond which the growth of renewable energy electricity production may stabilize or decline when subjected on positive and negative impacts. Furthermore, the results show, fossil energy utilized mostly at <span><math><mrow><mi>σ</mi><mo>=</mo><mn>1.65</mn></mrow></math></span> thereby increasing the tension of climate disruptions as observed at maximum emission of <span><math><mrow><mi>λ</mi><mo>=</mo><mn>0.019</mn></mrow></math></span>. In the phase from 2000 to 2010, the results show the improvement of renewable technologies from <span><math><mrow><mi>γ</mi><mo>=</mo><mn>0.19</mn></mrow></math></span> to <span><math><mrow><mi>γ</mi><mo>=</mo><mn>0.23</mn></mrow></math></span> (2010–2020) in which the reduction of the dependence on fossil fuels technologies increased. However, the improvement in renewable technologies enhanced the reduction of fossil fuel technologies dependence and therefore, minimize the climate risks. This study suggests an aggressive investment in<!--> <!-->renewable grid modernization for pushing the energy system past this threshold, fostering self-sustaining growth in renewable technologies for climate risk mitigation.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"81 ","pages":"Article 108580"},"PeriodicalIF":4.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146024160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 insights into the electronic, optical, and thermoelectric properties of Cu2ZnSnS4 for energy conversion applications Cu2ZnSnS4在能量转换应用中的电子、光学和热电性质的第一性原理见解
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-01-01 Epub Date: 2025-12-14 DOI: 10.1016/j.rinp.2025.108561
Zahid Ullah , Rajwali Khan , Muhammad Amir Khan , Sattam Al Otaibi , Khaled Althubeiti , Mukhlisa Soliyeva , Noureddine Elboughdiri , Fazal Raziq
{"title":"First principles insights into the electronic, optical, and thermoelectric properties of Cu2ZnSnS4 for energy conversion applications","authors":"Zahid Ullah ,&nbsp;Rajwali Khan ,&nbsp;Muhammad Amir Khan ,&nbsp;Sattam Al Otaibi ,&nbsp;Khaled Althubeiti ,&nbsp;Mukhlisa Soliyeva ,&nbsp;Noureddine Elboughdiri ,&nbsp;Fazal Raziq","doi":"10.1016/j.rinp.2025.108561","DOIUrl":"10.1016/j.rinp.2025.108561","url":null,"abstract":"<div><div>The quaternary chalcogenide Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS), a kesterite-type semiconductor, has been comprehensively investigated using density functional theory (DFT) within the FP-LAPW method as implemented in WIEN2k. Structural optimization confirms tetragonal symmetry with stable bonding arising from mixed covalent–ionic interactions between Cu–S, Zn–S, and Sn–S, as revealed by charge density analysis. The electronic band structure, refined using the Tran–Blaha modified Becke–Johnson (TB-mBJ) potential, demonstrates a direct band gap of 1.0 eV at the Γ-point, aligning well with the optimal range for single-junction photovoltaic absorbers. Optical spectra derived from the frequency-dependent dielectric function indicate a static dielectric constant ε<sub>1</sub>(0) ≈ 6–8, strong absorption (10<sup>4</sup>–10<sup>5</sup> cm<sup>−1</sup>) above the band edge, confirming its suitability for efficient light harvesting. Thermodynamic analysis predicts stable behavior with increasing temperature, where Gibbs free energy decreases, heat capacity (Cv) approaches the Dulong–Petit limit, and entropy increases monotonically. Transport calculations based on BoltzTraP reveal favorable thermoelectric parameters, including high Seebeck coefficients and good electrical conductivity, yielding an appreciable thermoelectric figure of merit (ZT). Overall, the synergistic combination of a direct optimal band gap, strong light absorption, stable bonding, and promising thermoelectric response establishes CZTS as a viable candidate for photovoltaic devices and energy conversion applications.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"80 ","pages":"Article 108561"},"PeriodicalIF":4.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 unexpected dewetting during growth of silicene flakes with dendritic pyramids 枝状金字塔型硅烯片生长过程中的意外脱湿现象
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-01-01 Epub Date: 2025-11-26 DOI: 10.1016/j.rinp.2025.108540
Kejian Wang , Mathieu Abel , Filippo Fabbri , Mathieu Koudia , Adrien Michon , Adam Hassan Denawi , Holger Vach , Isabelle Berbezier , Jean-Noël Aqua
{"title":"The unexpected dewetting during growth of silicene flakes with dendritic pyramids","authors":"Kejian Wang ,&nbsp;Mathieu Abel ,&nbsp;Filippo Fabbri ,&nbsp;Mathieu Koudia ,&nbsp;Adrien Michon ,&nbsp;Adam Hassan Denawi ,&nbsp;Holger Vach ,&nbsp;Isabelle Berbezier ,&nbsp;Jean-Noël Aqua","doi":"10.1016/j.rinp.2025.108540","DOIUrl":"10.1016/j.rinp.2025.108540","url":null,"abstract":"<div><div>Silicene growth on graphene has emerged as a novel method for fabricating silicon-based van der Waals heterostructures. However, the silicene flakes produced in this manner are the result of an exotic growth mode characterized by metastable nanostructures with varying degrees of deviation from equilibrium, with large two-dimensional flakes surrounded by a rim that coexist with small 3D islands, and, at large deposits, thick dendritic pyramids separated by a denuded zone. In order to rationalize and control this growth, a model is derived that revisits the dewetting thermodynamics and considers generally ignored adsorption and step-edge energies. The model is investigated using kinetic Monte-Carlo simulations and mean-field rate equations, and implemented by close inspection of microscopy images. This model perfectly reproduces the experimental outcomes, unveiling an anomalous growth mode, and provides guidelines on experimental conditions for high-quality silicene growth.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"80 ","pages":"Article 108540"},"PeriodicalIF":4.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145610446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Experimental and simulation study of ZnO nanowire/Si heterojunctions as radioisotope batteries for long-term micro-power applications ZnO纳米线/Si异质结作为放射性同位素电池长期微功率应用的实验与模拟研究
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-01-01 Epub Date: 2025-12-22 DOI: 10.1016/j.rinp.2025.108569
Alireza Shokri, Mina Amirmazlaghani
{"title":"Experimental and simulation study of ZnO nanowire/Si heterojunctions as radioisotope batteries for long-term micro-power applications","authors":"Alireza Shokri,&nbsp;Mina Amirmazlaghani","doi":"10.1016/j.rinp.2025.108569","DOIUrl":"10.1016/j.rinp.2025.108569","url":null,"abstract":"<div><div>Betavoltaic batteries are emerging as a critical power solution for microelectronic systems requiring decades of maintenance-free operation. Among wide-bandgap semiconductors, zinc oxide (ZnO) is particularly attractive due to its radiation resistance and compatibility with silicon technology. In this work, we report the first experimental fabrication and characterization of ZnO/Si heterojunction betavoltaic cells using a <sup>63</sup>Ni beta source. Unlike previous studies limited to ZnO/n-Si junctions, we systematically investigated both ZnO/p-Si and ZnO/n-Si configurations, demonstrating that the ZnO/p-Si heterojunction exhibits superior performance owing to its intrinsic p–n junction, which enhances charge carrier separation under beta irradiation. ZnO nanowires (∼1 µm) were synthesized via a sol–gel method and deposited on silicon substrates by spin-coating to form heterojunctions. Structural (XRD, TEM, FESEM) and electrical characterizations confirmed device formation, with the p-Si/ZnO junction achieving a short-circuit current of 6 nA and an open-circuit voltage of 2.5 mV, compared to 0.04 nA and 6 mV for the n-Si/ZnO junction. To explain the discrepancy between simulated and measured efficiencies, we developed a comprehensive MCNP–TCAD simulation framework, which revealed that contact resistance, interface traps, and air–gap effects are dominant loss mechanisms. The model showed excellent agreement with experimental data and provided design strategies for performance enhancement.</div><div>This study establishes a validated simulation–experiment correlation, identifies key efficiency-limiting factors, and introduces a scalable fabrication route for ZnO/Si betavoltaic devices. The insights gained here offer valuable guidance for advancing high-efficiency, radiation-resistant nuclear micro-batteries for future IoT, space, and biomedical applications.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"80 ","pages":"Article 108569"},"PeriodicalIF":4.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Non-Fourier omnidirectional thermal mirror in finite biological multilayer 有限生物多层非傅立叶全向热镜
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-01-01 Epub Date: 2025-12-15 DOI: 10.1016/j.rinp.2025.108563
Jesús Manzanares-Martinez , Raúl Esquivel-Sirvent
{"title":"Non-Fourier omnidirectional thermal mirror in finite biological multilayer","authors":"Jesús Manzanares-Martinez ,&nbsp;Raúl Esquivel-Sirvent","doi":"10.1016/j.rinp.2025.108563","DOIUrl":"10.1016/j.rinp.2025.108563","url":null,"abstract":"<div><div>We report the design of a biological omnidirectional thermal mirror based on non-Fourier heat conduction. Using a finite one-dimensional thermal wave crystal, we demonstrate complete reflection of periodic temperature oscillations across three frequency bands and for all angles of incidence. The analysis uses the Cattaneo–Vernotte model, which predicts wave-like thermal propagation with a complex thermal impedance. Using the generalized Kronig–Penney formulation, we derive the projected band structure and show that low-frequency omnidirectional bandgaps emerge when the propagating modes of the surrounding medium overlap the forbidden Bloch regions of the multilayer. Numerical evaluation of the reflectance for a finite stack (4 and 6 periods) confirms near-unity reflection from normal to grazing incidence. These results introduce a route for direction-independent thermal shielding and localized heat confinement in biomedical and bio-metamaterial applications.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"80 ","pages":"Article 108563"},"PeriodicalIF":4.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 stoichiometry and calcination method on phase transition and optical and dielectric properties of Pby(ZrxTi1-x)O3 nanoparticles synthesized by sol–gel technique 化学计量学和煅烧方法对溶胶-凝胶法制备Pby(ZrxTi1-x)O3纳米颗粒相变、光学和介电性能的影响
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2026-01-01 Epub Date: 2025-12-13 DOI: 10.1016/j.rinp.2025.108557
Mohammad Hossein Doust, M.M. Bagheri-Mohagheghi
{"title":"Effect of stoichiometry and calcination method on phase transition and optical and dielectric properties of Pby(ZrxTi1-x)O3 nanoparticles synthesized by sol–gel technique","authors":"Mohammad Hossein Doust,&nbsp;M.M. Bagheri-Mohagheghi","doi":"10.1016/j.rinp.2025.108557","DOIUrl":"10.1016/j.rinp.2025.108557","url":null,"abstract":"<div><div>In this study, Pb<sub>y</sub>(Zr<sub>x</sub>Ti<sub>1-x</sub>)O<sub>3</sub> nanoparticles with stoichiometry of y = 0.5, 1 and x  = 0.5, 0.55, 0.6, were synthesized by the sol–gel method and calcinated by furnace at T = 500 °C, 700 °C, 900 °C, and microwave in P = 900 W to investigate dielectric, optical, and nano-structural properties. The XRD, EDX, and FESEM analyses were used for phase structure, crystallite size, strain, and morphology of nanostructure. The optical properties, including optical absorption (α) and extinction coefficients (k), complex refractive index (<span><math><mrow><mover><mi>n</mi><mo>∼</mo></mover></mrow></math></span>), complex dielectric function (<span><math><mrow><mover><mi>∊</mi><mo>∼</mo></mover></mrow></math></span>), bandgap (E<sub>g</sub>), and dielectric loss tangent (tan δ), were studied by UV–Vis spectrometer. For y = 1 at T = 900 °C, phase-pure perovskite with high crystallinity is formed, near the morphotropic phase boundary (MPB), whereas in y = 0.5, ZrO<sub>2</sub>/PbO is often retained ZrO<sub>2</sub>/PbO and at x  = 0.6, it separates into the PbZrO<sub>3</sub> and PbTiO<sub>3</sub> independent phases. For y = 0.5 and x  = 0.5, the optical bandgap evolved from ∼ 1.9 to ∼ 2.55 eV with temperature, and for Zr-rich PZT with x  = 0.6, it showed a higher absorption coefficient and lower optical bandgap, consistent with defect-assisted absorption. Refractive index raised under microwave for all x and it decreased under the furnace post-annealing, especially for y = 1. The dielectric loss tangent (tan δ) decreased after annealing in furnace for y = 1, but increased with temperature for y = 0.5. Urbach energy (E<sub>U</sub>)<strong>,</strong> as a disorder metric, decreased from 128–145 meV to 95–118 meV and 86–92 meV, after calcination in furnace and microwave, respectively. The results of porosity of nanoparticles for y = 1, with calcination in furnace, have shown a dense state and reproducible (9–10 %), whereas for y = 0.5 high porosity from 30.8 to 25.8 % for x  = 0.50 to 0.60 and more porosity by microwave for y = 0.5, x  = 0.55 (∼34.9 %). The combination of high n<strong>,</strong> and low k<strong>,</strong> ε<sub>2</sub>, tan δ and engineered porosity for y = 1 and x  = 0.50 to 0.55, after calcination in furnace at T = 900 °C, introduces as strong high-index layers for Distributed Bragg Reflector (DBR) mirrors.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"80 ","pages":"Article 108557"},"PeriodicalIF":4.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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