Mohamed K. Zayed , Khalid O. Daffallah , Moustafa Ahmed , Mohamed Rashad , Hesham Fares
{"title":"Dielectric-metal nitride core-shell plasmonic nanostructures for photo-absorption and photothermal conversion of solar radiation","authors":"Mohamed K. Zayed , Khalid O. Daffallah , Moustafa Ahmed , Mohamed Rashad , Hesham Fares","doi":"10.1016/j.physb.2025.417429","DOIUrl":"10.1016/j.physb.2025.417429","url":null,"abstract":"<div><div>This work systematically examines dielectric-transition metal nitrides (TMNs) core <span><math><mrow><mo>−</mo></mrow></math></span> shell nanocomposites (SiO<sub>2</sub> <span><math><mrow><mo>−</mo></mrow></math></span> TiN and SiO<sub>2</sub> <span><math><mrow><mo>−</mo></mrow></math></span> ZrN), optimized geometrically for enhanced solar absorption and reduced thermoplasmonic heating. Numerical simulations based on Mie theory demonstrate that these nanoshells, whether embedded in air or water, surpass single-component TiN, ZrN, and Au nanospheres in achieving higher figures of merit (FoM) for solar energy absorption. It is shown that SiO<sub>2</sub> <span><math><mrow><mo>−</mo></mrow></math></span> TiN and SiO<sub>2</sub> <span><math><mrow><mo>−</mo></mrow></math></span> ZrN nanoshells allow for broader geometric optimization, resulting in elevated FoM with lower heating. In aqueous environments, TMN nanoshells exhibit minimal temperature increases across the solar spectrum, especially within the near <span><math><mrow><mo>−</mo></mrow></math></span> infrared biological window (∼700–1000 nm), making them promising for biomedical applications. Furthermore, these structures reduce the need for plasmonic materials while maintaining effective solar absorption, underscoring their cost-effectiveness. This study highlights the adaptability of TMN nanoshells in solar energy systems, including photovoltaics, photocatalysis, solar thermal power, and biomedical applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417429"},"PeriodicalIF":2.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}
Muhammad Raza Hussain , Rizwan Akram , Jan Sher Khan , Saima Rafique , Mozaffar Hussain , Sajid Butt
{"title":"Synergistic enhancement of thermoelectric performance in N type Bi2Te3 by incorporating CuO ceramic nanoparticles","authors":"Muhammad Raza Hussain , Rizwan Akram , Jan Sher Khan , Saima Rafique , Mozaffar Hussain , Sajid Butt","doi":"10.1016/j.physb.2025.417458","DOIUrl":"10.1016/j.physb.2025.417458","url":null,"abstract":"<div><div>In the present work, copper oxide (CuO) ceramic nanoparticles (NPs) were embedded in a Bi<sub>2</sub>Te<sub>3</sub>, introducing an unexplored composition of ‘n’ type binary alloy, Bi<sub>2</sub>Te<sub>3</sub> mixed with CuO Nps. Bi<sub>2</sub>Te<sub>3</sub> powder was mechanically milled and mixed with CuO in three different weight percentages (1 %, 2 %, and 3 %). The synthesized nanocomposite powders were then hot-pressed at 200 °C to form pellets. X-ray diffraction (XRD) of the nanocomposite powder and compacted samples revealed no major change in the crystal structure of both composites. Scanning electron microscopy (SEM) revealed that CuO NPs were successfully embedded at grain boundaries of the Bi<sub>2</sub>Te<sub>3</sub> matrix. The reduction in lattice thermal conductivity was attributed to strong phonon scattering across multiscale mean-free pathways, while increased low-energy electron filtering raised the Seebeck coefficient and reduced the electronic thermal conductivity. This synergistic effect between CuO and Bi<sub>2</sub>Te<sub>3</sub> achieved the highest “figure of merit” 0.99 at 483 K for the 3 wt% Bi<sub>2</sub>Te<sub>3</sub>-CuO nanocomposite.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417458"},"PeriodicalIF":2.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"NiO-TiC composite materials: A study on structural integrity, dielectric behavior, and electrical conductivity","authors":"Cevher Kürşat Macit , Rümeysa Çetiner , Merve Horlu , Derya Aydın , Fatih Biryan , Kenan Koran , Burak Tanyeri","doi":"10.1016/j.physb.2025.417419","DOIUrl":"10.1016/j.physb.2025.417419","url":null,"abstract":"<div><div>In this study, titanium carbide (TiC) nanoparticles were incorporated into nickel oxide (NiO) semiconductors using the sol-gel method to enhance dielectric and electrical properties. Characterization techniques such as FT-IR, XRD, FE-SEM, EDX, and Raman spectroscopy confirmed the structural integrity and successful dispersion of TiC in the NiO matrix. XRD showed distinct peaks for both NiO and TiC, while FE-SEM and EDX confirmed homogeneous TiC distribution. Impedance spectroscopy revealed that the dielectric constants (ε′ and ε″) and AC conductivity (σac) significantly increased with TiC content. For 10 % TiC-doped NiO, ε′ and ε″ reached 49.596 and 256.242, respectively, while σac improved to 1.250 × 10<sup>−7</sup> S/cm. I–V measurements showed enhanced current flow with increased TiC doping. Activation energy decreased from 0.038 eV to 0.023 eV, indicating improved charge transport. These results demonstrate that NiO-TiC nanocomposites are promising for electronic applications such as capacitors and solar cells.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417419"},"PeriodicalIF":2.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Fluorescence intensity ratio temperature sensing of Dy1-xTbx-datrz MOF with dual characteristic emission","authors":"Zitao Yan , Chuanfang Wu , Yong Pu , Dachuan Zhu","doi":"10.1016/j.physb.2025.417457","DOIUrl":"10.1016/j.physb.2025.417457","url":null,"abstract":"<div><div>A series of dual-lanthanide metal-organic frameworks (Dy<sub>1-x</sub>Tb<sub>x</sub>-datrz MOFs) have been synthesized successfully via solvothermal method using DMF solution and confirmed by XRD and FT-IR patterns, which were further revealed as the structure composed of regular block crystals by SEM observation. Subsequently, the solid-state luminescence spectra of all the Dy<sub>1-x</sub>Tb<sub>x</sub>-datrz MOFs showed the dual characteristic emission peaks of Dy<sup>3+</sup> and Tb<sup>3+</sup> under the excitation at 350 nm. Meanwhile, a concentration quenching effect was found like monometallic luminescence MOF, among which Dy<sub>0.5</sub>Tb<sub>0.5</sub>-datrz exhibited the strongest emission intensity. Notably, the ratio-metric fluorescence temperature sensing performance and thermal cycle stability of Dy<sub>0.5</sub>Tb<sub>0.5</sub>-datrz were investigated, of which the sensitivity value (Sr) ranged from 0.2737 %K<sup>−1</sup> to 0.4421 %K<sup>−1</sup> and δT value varied between 0.0300K and 0.0485K during 293K–473K, combined with a good thermal cycle stability. Therefore, Dy<sub>0.5</sub>Tb<sub>0.5</sub>-datrz with dual characteristic emission has the potential for ratio-metric fluorescence temperature sensing.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417457"},"PeriodicalIF":2.8,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Impact of biaxial strain on electrical performance of double-gate monolayer antimonene transistors","authors":"Manouchehr Hosseini , Shoeib Babaee Touski","doi":"10.1016/j.physb.2025.417385","DOIUrl":"10.1016/j.physb.2025.417385","url":null,"abstract":"<div><div>This paper investigates the strain-dependent electronic properties and transistor performance of monolayer antimonene using Density Functional Theory (DFT) and the ”Top-Of-the-Barrier” transport model. The study analyzes the impact of biaxial strain on the band structure, effective mass, and charge transport characteristics. The results reveal a transition from an indirect to a direct bandgap beyond at small tensile strain. The performance of n-type and p-type double gate MOSFETs with an monolayer antimonene channel is systematically evaluated. The tensile strain significantly reduces the ON-current and ON-OFF current ratio of n-type transistors, while p-type transistors exhibit greater stability under strain variations. These results provide valuable insights into the feasibility of strain-engineered monolayer antimonene for future high-performance, low-power nanoelectronic applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417385"},"PeriodicalIF":2.8,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 electro-structural, mechanical, optical, and thermal properties of hexagonal chalcogenide perovskites CsTaX3 (X = S, Se)","authors":"Lakhdar Benahmedi, Anissa Besbes, Radouan Djelti","doi":"10.1016/j.physb.2025.417452","DOIUrl":"10.1016/j.physb.2025.417452","url":null,"abstract":"<div><div>This study presents a comprehensive investigation of the structural, electronic, elastic, optical, and thermoelectric properties of hexagonal chalcogenide perovskites CsTaX<sub>3</sub> (X = S, Se) using first-principles Density Functional Theory (DFT) calculations. Structural optimization using the GGA-PBE functional yields lattice constants of <em>a</em> = 7.44 Å, <em>c</em> = 6.01 Å for CsTaS<sub>3</sub>, and <em>a</em> = 7.71 Å, <em>c</em> = 6.14 Å for CsTaSe<sub>3</sub>. Both compounds exhibit indirect band gaps, refined using the TB-mBJ potential, with values of 0.90 eV (CsTaS<sub>3</sub>) and 0.41 eV (CsTaSe<sub>3</sub>). Elastic constants satisfy the Born stability criteria, and calculated bulk moduli are 52.52 GPa (CsTaS<sub>3</sub>) and 46.08 GPa (CsTaSe<sub>3</sub>), confirming mechanical stability. Optical properties indicate high dielectric constants, with static <em>ε</em><sub>1</sub> values reaching 6.03 (CsTaS<sub>3</sub>) and 8.06 (CsTaSe<sub>3</sub>), and strong absorption in the visible region. Thermoelectric analyses reveal positive Seebeck coefficients throughout the 50–1200 K temperature range, indicating p-type conductivity, CsTaSe<sub>3</sub> exhibits a power factor of 1.85 × 10<sup>11</sup> W/m·K<sup>2</sup> and a maximum ZT of 0.75, compared to 1.67 × 10<sup>11</sup> W/m·K<sup>2</sup> and ZT = 0.76 for CsTaS<sub>3</sub>. These findings underscore the potential of CsTaS<sub>3</sub> for high-temperature thermoelectric applications and suggest the viability of CsTaX<sub>3</sub> compounds in future energy conversion and optoelectronic technologies.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417452"},"PeriodicalIF":2.8,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Manipulation of transient electroluminescence spike induced by polar Alq3 electron transport layer","authors":"Sinuo Xu , Zhaoyue Lü , Jing Xiao , Haifen Xie , Haichuan Mu","doi":"10.1016/j.physb.2025.417456","DOIUrl":"10.1016/j.physb.2025.417456","url":null,"abstract":"<div><div>The electroluminescence (EL) performance of tris-(8-hydroxyquinolate) aluminum (Alq<sub>3</sub>)-based organic light-emitting diodes (OLEDs) and the associated interfacial charge behaviors are comprehensively investigated using transient EL measurements. The transient EL decay reveals that no spike is observed at the end of the positive bias, but an overshoot appears at the onset of reverse bias. The spike at the failing edge is suppressed by the large spontaneous orientation polarization (SOP) of Alq<sub>3</sub>, while the overshoot under reverse bias is attributed to the de-trapping and recombination of accumulated interfacial charges. The intensity of overshoot in transient EL decay strongly correlates with the quantity of interfacial charges, which can be manipulated through controlled deposition parameters, such as film thickness, substrate temperature, and deposition rate. To optimize device performance, a critical thickness and substrate temperature should be maintained during polar Alq<sub>3</sub> deposition. These findings highlight the critical role of SOP regulation in maximizing OLED performance.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417456"},"PeriodicalIF":2.8,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}
Muhammad Hamza , Mudassir Ishfaq , Shatha A. Aldaghfag , Muhammad Yaseen , Sadia Murtaza , Nasarullah
{"title":"First-principles insights into X2MgS4 (X= Pm, Pr) spinels for energy harvesting and spintronic applications","authors":"Muhammad Hamza , Mudassir Ishfaq , Shatha A. Aldaghfag , Muhammad Yaseen , Sadia Murtaza , Nasarullah","doi":"10.1016/j.physb.2025.417435","DOIUrl":"10.1016/j.physb.2025.417435","url":null,"abstract":"<div><div>Herein, <em>ab initio</em> calculations have been performed on X<sub>2</sub>MgS<sub>4</sub> (X = Pm, Pr) spinel sulfides in order to explore the physical attributes such as geometric, magnetic, optoelectronic and thermoelectric characteristics through density functional theory with modified Becke–Johnson potential. The value of tolerance factor (τ) is calculated as 0.98 for both spinels which assures structural stability. Spin resolved band structures indicate semiconducting/half-metallic ferromagnetic ordering in Pm<sub>2</sub>MgS<sub>4</sub>/Pr<sub>2</sub>MgS<sub>4</sub>, respectively. Pm<sub>2</sub>MgS<sub>4</sub> revealed bands gaps of 1.68 (spin up) and 1.84 eV (spin down), which can be observed in the optical characteristics. In optical parameters, static values of real part <em>ε</em><sub>1</sub> (0) is 5.1 for Pm<sub>2</sub>MgS<sub>4</sub> and 43.2 for Pr<sub>2</sub>MgS<sub>4</sub>. Maximum R(ω) is recorded as 0.32 at 7.8 eV for Pm<sub>2</sub>MgS<sub>4</sub> and 0.34 at 7.4 eV for Pr<sub>2</sub>MgS<sub>4</sub>. Thermoelectric (TE) parameters are computed with the help of BoltzTraP code within 300–800 K temperature range. Peak value of ZT<sub>(e)</sub> is calculated as 0.79 for Pm<sub>2</sub>MgS<sub>4</sub> at 800 K, close to the desirable ∼1.0 value of ZT. Our results show that Pm<sub>2</sub>MgS<sub>4</sub> spinel can be efficiently used in the field of spintronic and Pm<sub>2</sub>MgS<sub>4</sub> for energy harvesting applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417435"},"PeriodicalIF":2.8,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Optical waveguides in Pr:LuAG crystals fabricated by carbon ion implantation and femtosecond laser ablation","authors":"Yu-Jiao Zhang, Hui Huang, Qian-Qiu Zhao, Ying-Jie Ma, Chuan-Lei Jia","doi":"10.1016/j.physb.2025.417437","DOIUrl":"10.1016/j.physb.2025.417437","url":null,"abstract":"<div><div>By combining C ion implantation with femtosecond laser ablation, the planar and ridge waveguides were fabricated in Pr<sup>3+</sup>-doped Lu<sub>3</sub>Al<sub>5</sub>O<sub>12</sub> (Pr:LuAG) crystals. The energy loss of 6.0 MeV C ions into Pr:LuAG crystal was simulated using the Stopping and Range of Ions in Matter (SRIM) software. To assess the optical confinement capabilities of the waveguides, the dark mode spectra were measured by a prism-coupling system, and the end-face coupling method was employed to acquire the near-field mode distribution. Fluorescent characteristics of Pr<sup>3+</sup> ions were investigated through photoluminescence emission spectra and decay curves. The waveguide microstructures were characterized by Raman spectroscopy and reflectance-difference spectroscopy (RDS).</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417437"},"PeriodicalIF":2.8,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}