Physica B-condensed Matter最新文献

{"title":"Dynamics of lead selenide films modification by laser annealing","authors":"Anastasiia A. Olkhova ,&nbsp;Alina A. Patrikeeva ,&nbsp;Maria A. Butyaeva ,&nbsp;Aleksandra E. Pushkareva ,&nbsp;Victoria Hassan ,&nbsp;Pavel P. Omelchenko ,&nbsp;Bogdan G. Shulga ,&nbsp;Dmitry A. Kozodaev ,&nbsp;Oleg A. Korepanov ,&nbsp;Bogdanov Kirill ,&nbsp;Grigory Pestov ,&nbsp;Maksim M. Sergeev","doi":"10.1016/j.physb.2024.416771","DOIUrl":"10.1016/j.physb.2024.416771","url":null,"abstract":"<div><div>The paper considers the modification of the structure and optical properties of chalcogenide films of lead selenide (PbSe) as a result of exposure to a continuous wave (CW) laser with 405 nm wavelength. The mechanisms of oxide layer formation and the accompanying changes in the optical properties of films during laser exposure were considered. Based on the measured reflection and transmission spectra of film regions modified by laser radiation with different exposure times (1–12 s), the extinction coefficient and refractive index were calculated. The study reveals significant modifications in the films' optical constants during the early stages of laser irradiation, leading to oxidation and melting, which are further stabilized by phase transitions. Additionally, temperature field analysis showed that the film's surface temperature in the laser spot's center is strongly influenced by the time-dependent absorption capacity, especially from the 3rd second of exposure onward.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416771"},"PeriodicalIF":2.8,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143143215","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":"Exchange-enhanced Pauli spin paramagnetism in Ni3C nanoparticles","authors":"A.V. Korolev ,&nbsp;A. Ye Yermakov ,&nbsp;A.S. Minin ,&nbsp;M.A. Uimin ,&nbsp;V.S. Gaviko ,&nbsp;S.I. Novikov ,&nbsp;V.V. Makarov ,&nbsp;Yu.S. Ponosov","doi":"10.1016/j.physb.2025.416888","DOIUrl":"10.1016/j.physb.2025.416888","url":null,"abstract":"<div><div>Nanoparticle samples containing the mixture of Ni₃C (∼44 - 42 wt%), FCC-Ni (∼5 wt%) and “weak-magnetic” impurities (∼51–53 wt%) were studied. The detailed analysis of magnetization curves of the samples allowed the contribution of magnetization isotherm to be distinguished for nickel carbide at a low temperature ranging from 2 K to 25 K and at an intensity of magnetic field H ranging from 21 до 50 kOe. Exchange-enhanced Pauli spin paramagnetism in nanocrystalline Ni₃C is evidenced by the magnetic data presented as Belov-Arrott plots and a temperature dependence of initial magnetic susceptibility.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416888"},"PeriodicalIF":2.8,"publicationDate":"2025-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094917","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":"Cu4SnS4 thin films fabricated by sulfurizing thermally evaporated Cu/Sn/Cu metal layers","authors":"U. Chalapathi ,&nbsp;Y.B. Kishore Kumar ,&nbsp;Nandarapu Purushotham Reddy ,&nbsp;Salh Alhammadi ,&nbsp;Radhalayam Dhanalakshmi ,&nbsp;Golkonda Srinivas Reddy ,&nbsp;Adel El-marghany ,&nbsp;Krithikaa Mohanarangam ,&nbsp;Sambasivam Sangaraju ,&nbsp;Vasudeva Reddy Minnam Reddy ,&nbsp;Si-Hyun Park","doi":"10.1016/j.physb.2024.416876","DOIUrl":"10.1016/j.physb.2024.416876","url":null,"abstract":"<div><div>Cu₄SnS₄ thin films show potential for photovoltaic applications due to their direct bandgap and high absorption coefficient. This study explores a two-step process for fabricating these films through thermal evaporation followed by sulfurization. Cu/Sn/Cu layers are deposited on Mo-coated glass substrates, and then sulfurized in a furnace at 550 °C for 10 to 60 min. Films sulfurized for 10 and 30 min exhibited large grain sizes, a highly crystalline structure, and uniform surface morphology, with bandgaps between 1.05–1.1 eV and electrical resistivity between 0.87 and 0.65 <span><math><mi>Ω</mi></math></span> cm, making them suitable for solar cells. However, sulfurization for 60 min caused a reduction in thickness and pinhole formation due to material loss. This method shows promise for producing high-quality Cu₄SnS₄ films for thin-film solar cells.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416876"},"PeriodicalIF":2.8,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094915","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":"Rapid synthesis and immobilization of ZnO nanorods on metal meshes and its application for organic dye removal","authors":"Soo-Ling Bee ,&nbsp;Siti Nor Qurratu Aini Abd Aziz ,&nbsp;Swee-Yong Pung","doi":"10.1016/j.physb.2025.416887","DOIUrl":"10.1016/j.physb.2025.416887","url":null,"abstract":"<div><div>Immobilizing photocatalysts onto supporting substrates presents a versatile and practical solution to overcome technical challenges associated with utilizing photocatalysts in their powder form. By depositing photocatalysts onto substrates, such as kanthal mesh, the need for particle separation and recovery during wastewater treatment processes is effectively circumvented. In this study, we focused on synthesizing zinc oxide (ZnO) nanostructures on metal mesh using the direct heating (DH) approach. This approach presents several benefits when relative to common fabrication methods such as hydrothermal and chemical vapor deposition, allowing for exceptionally rapid synthesis (completed in just 5 min) with minimal usage of electrical power. The formation of ZnO nanorods on supporting mesh was corroborated by FE-SEM, XRD, EDX, HR-TEM and XPS analyses. Notably, ZnO nanorods supported on kanthal meshes exhibited photocatalytic ability in degrading RhB dye under UV light, demonstrating their efficacy in dye removal. Overall, the facile DH approach for growing ZnO nanorods on kanthal mesh shows great potential for the mass production of photocatalyst modules tailored to be applied for wastewater treatment.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416887"},"PeriodicalIF":2.8,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094916","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":"Tuning ferroelectricity of barium titanate by chromium substitution: A density functional theory study","authors":"Bouchera Imane Belmabrouk ,&nbsp;Nadia Iles ,&nbsp;Ayyoub Bezzalla","doi":"10.1016/j.physb.2025.416889","DOIUrl":"10.1016/j.physb.2025.416889","url":null,"abstract":"<div><div>In the present work, the Titanium atom substitution with Chromium in tetragonal BaTiO₃ was investigated. <em>Ab initio</em> calculations were performed on x = 0.125, 0.25, 0.375 and 0.5 compositions of BaTi_1-xCr_xO₃ compounds. The tetragonality of BaTiO₃ decreased with the increase of the Cr composition. The calculated formation energies showed a linear increase of stability with Chromium composition from −13.91 eV to −13.28 eV. The density of states of BaTi_1-xCr_xO₃ compounds revealed localized states within the gap in the range [0–0.78 eV], reducing the bandgap from 1.9 eV to 0.89 eV for BaTi_0.625Cr_0.375O₃. Furthermore, the BaTi_0.5Cr_0.5O₃ showed a half metallic behavior. A ferromagnetic character was observed in all BaTi_1-xCr_xO₃ compounds. The electronic polarization of BaTiO₃ is reduced by 17.82 % for x = 0.125, 48.15 % for x = 0.25, 76.60 % for x = 0.375, and no polarization was found for x = 0.5. This result paves the way to new tunable ferroelectric and ferromagnetic materials for spintronic.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416889"},"PeriodicalIF":2.8,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095079","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":"Effect of 8 MeV electron irradiation on indium doped Cu2SnS3 crystals","authors":"Alexey D. Lobanov ,&nbsp;Yulia V. Korkh ,&nbsp;Evgeny I. Patrakov ,&nbsp;Maria A. Cherepanova ,&nbsp;Vladimir I. Grebennikov ,&nbsp;Shigeyuki Nakamura ,&nbsp;Svetlana G. Titova ,&nbsp;Maksim N. Sarychev ,&nbsp;Ratibor G. Chumakov ,&nbsp;Vladimir Yu Ivanov ,&nbsp;Tatyana V. Kuznetsova","doi":"10.1016/j.physb.2024.416883","DOIUrl":"10.1016/j.physb.2024.416883","url":null,"abstract":"<div><div>In this work, the effect of irradiation with electrons with an energy of 8 MeV on the surface topology, distribution of surface potentials, electronic structure, and Raman spectra of Cu₂SnS₃ samples doped with 4 % indium (CTS:In) were investigated. The CTS:In samples contain two crystal phases: tetragonal t-CTS and cubic c-CTS. The cubic c-CTS phase was deformed by electron irradiation. The grain structure modification on the surface of CTS:In under the influence of electrons and the disappearance of high positive potentials detected at the grain boundaries before irradiation were discovered. The peak associated with the In_Sn defects is shifted from +49 mV to +44 mV. This is related to the tearing out of indium atoms from site states of tin onto the surface of the CTS:In samples. This is confirmed by the study of the electronic structure of the CTS:In samples before and after irradiation.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416883"},"PeriodicalIF":2.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094914","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":"Unveiling the topological structure and optical properties of Ge2N2O and Sn2N2O: DFT, Hirshfeld topological surfaces, and their role in advanced materials","authors":"Saleem I. Qashou ,&nbsp;Z.Y. Khattari ,&nbsp;A.A.A. Darwish","doi":"10.1016/j.physb.2024.416874","DOIUrl":"10.1016/j.physb.2024.416874","url":null,"abstract":"<div><div>The structure-optical features of Ge₂N₂O and Sn₂N₂O oxynitride single crystal were studied by Density Functional Theory (DFT) and Hirshfeld topological surface (HTS) analysis. The results reveal that Sn₂N₂O outstrips Ge₂N2O in terms of a dielectric function, and UV reflectivity peaked 125&lt;λ &lt; 225 nm. Also, discrepancies in the refractive index n∗ = n + iκ as a function of photonic energies shows dependency on different polarization planes. The structural analysis underlines the importance of metal-nitrogen interactions, with average Sn-N (<em>i.e</em>., 2.0683 Å) and Ge-N (<em>i.e</em>., 1.8552 Å) bonds being vital for the stability of these materials. The HTS analysis also indicates that Sn-N and Ge-N interaction is 49.7 % and 49.0 % highlighting their profound effects lattice structure, and other material properties. The current study pointed to the potential of these two crystals for applications in advanced semiconductor and optoelectronic technologies for future innovations in material design.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416874"},"PeriodicalIF":2.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095080","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":"Tuning the optoelectronic, mechanical, and thermodynamic properties of lead-free Mg3NF3 perovskite with tunable strain through DFT study","authors":"I.K. Gusral Ghosh Apurba ,&nbsp;Md. Rasidul Islam ,&nbsp;Md Masud Rana ,&nbsp;Jehan Y. Al-Humaidi ,&nbsp;A.M. Quraishi ,&nbsp;Parvez Ali ,&nbsp;Md. Shizer Rahman","doi":"10.1016/j.physb.2024.416879","DOIUrl":"10.1016/j.physb.2024.416879","url":null,"abstract":"<div><div>Inorganic halide perovskite solar cells have been an enormous breakthrough in the solar energy industry because of their low production costs, high efficiency, and practicality. Structural, electrical, mechanical, and optical traits of <span><math><mrow><msub><mtext>Mg</mtext><mn>3</mn></msub><mi>N</mi><msub><mi>F</mi><mn>3</mn></msub></mrow></math></span> cubic halide perovskites subjected to strain are investigated in this study using first-principle calculation. As a consequence of strain, the electrical energy band gap widens, forcing more electrons to transition from the valence band (VB) to the conduction band (CB) and the visible to the ultraviolet segments of the spectrum. Based on the electrical band structures, the semiconductor substances <span><math><mrow><msub><mtext>Mg</mtext><mn>3</mn></msub><mi>N</mi><msub><mi>F</mi><mn>3</mn></msub></mrow></math></span> molecules have a direct bandgap of 2.98 eV at the location of Γ(gamma). In consideration of the quantum effect of spin-orbital coupling (SOC), the bandgap of the <span><math><mrow><msub><mtext>Mg</mtext><mn>3</mn></msub><mi>N</mi><msub><mi>F</mi><mn>3</mn></msub></mrow></math></span> perovskite is 3.24 eV, correspondingly. Optical features such as dielectric functions, reflectivity, photon absorptions, and loss functions have all been investigated. Some of the predicted factors include elastic constants, Poisson's ratio, Pugh's ratio, and bulk modulus. Studies of this material's elastic attributes reveal that it is anisotropic, ductile, and mechanically stable. The results reveal that when the compressive strain increases, the dielectric constant maxima of <span><math><mrow><msub><mtext>Mg</mtext><mn>3</mn></msub><mi>N</mi><msub><mi>F</mi><mn>3</mn></msub></mrow></math></span> move towards higher photon energy levels. In contrast, when tensile, they engage in red shifting, a transition to lower photon energy levels. The combined effect of these features makes <span><math><mrow><msub><mtext>Mg</mtext><mn>3</mn></msub><mi>N</mi><msub><mi>F</mi><mn>3</mn></msub></mrow></math></span> perovskites a fantastic option for solar power optimization equipment and gadgets that use semiconductors.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416879"},"PeriodicalIF":2.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095078","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":"Photocurrent enhancement at two distinct wavelengths in vertically-aligned quantum dot solar cell","authors":"Naveed Jafar,&nbsp;Jianliang Jiang,&nbsp;Rehmat Iqbal,&nbsp;Rea Bitri","doi":"10.1016/j.physb.2024.416882","DOIUrl":"10.1016/j.physb.2024.416882","url":null,"abstract":"<div><div>Quantum dot (<em>QD</em>) devices show better structural stability among various photovoltaic technologies, including silicon, organic, and thin film solar cells. The <em>QD</em>-based solar cells emerge as promising candidates because of their unique characteristics, such as variable size and tunable band gap. For instance, symmetrically distributed impurities in <em>QDs</em> induce the formation of an intermediate band (<em>IB</em>) in solar cells, which allows the cell to absorb photons with energy lower than the bandgap. This absorption in <em>QD-IBSC</em> generates more electricity by increasing carrier concentration, enhancing photo-generated current, and achieving higher power conversion efficiency (<em>PCE</em>). The primary aim of this study is to investigate the structural properties and efficiency of novel vertically-aligned quantum dot solar cell structure. Furthermore, this paper explores the enhancement of photocurrent (<em>PC</em>) at two distinct wavelengths, specifically at 800 nm and 1300 nm, within the structure of a vertically-aligned quantum dot solar cell. A 3D-finite element method solver has been employed to simulate the proposed solar cell structure. Additionally, it studies the effects of voltage varying from 0 V to 0.7 V versus carrier concentration within a vertically-aligned quantum dot solar cell, revealing that higher voltage values correspond to increased carrier concentration. Results show that at <em>P</em>_{<em>800,</em>} the <em>PCE</em> of the solar cell approaches 37.7 %, compared to <em>P</em>_{<em>1300</em>}. The analysis of <em>QD</em> state occupancy reveals a decrease in occupation at higher values of incident light intensities. The increment in <em>PC</em> generation for simultaneous excitation of <em>QDs</em> with both wavelengths is attributed to enhancing the two-step, two-photon absorption (<em>TS-TPA</em>) process in <em>QDs</em>. These findings underscore the potential of two distinct wavelength operations for optimizing the performance of quantum dot solar cells.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416882"},"PeriodicalIF":2.8,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095077","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":"Thermally activated growth of magnetically channelized SmCo-based composite nanowires to study structural, morphological and magnetic properties","authors":"Kavita Kumari ,&nbsp;Akshay Kumar ,&nbsp;Mohit K. Sharma ,&nbsp;Naveen Yadav ,&nbsp;Manish Kumar ,&nbsp;Shalendra Kumar ,&nbsp;Sameer Saharan ,&nbsp;Sujata Kumari ,&nbsp;Mamta Thakran ,&nbsp;Bon-Heun Koo","doi":"10.1016/j.physb.2024.416877","DOIUrl":"10.1016/j.physb.2024.416877","url":null,"abstract":"<div><div>In this work, one-dimensional (1-D) SmCo based magnetic nanocomposites (MNCs) were prepared at different synthesis temperatures, in the range 60–90 °C to thermally activate the ions, in the presence of an external magnetic field of 3750 Gauss. X-ray diffraction (XRD) analysis detected multiple-phase presence including hcp-Co, cubic-Co, Sm₂Co₁₇, Sm(OH)₃ with relatively larger fraction of Co phases as confirmed through the Rietveld refinement. HR-FESEM images and EDS techniques demonstrated 1-D morphology and the presence of Co, Sm, O as major elements, respectively. Dc-magnetization measurements revealed the prevalence of soft ferromagnetic character in MNCs offering saturation magnetization up to 150 emu/g. Effective magnetic anisotropy was found to be enhanced from 140 kJ/m³ to 170 kJ/m³ with increase in the synthesis temperature attributable to the enhanced thermal kinetics. Effective spin orbit coupling was observed between the magnetic phases leading to the single-phase behavior of the nanocomposites with enhanced magnetic properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416877"},"PeriodicalIF":2.8,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095318","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}