Solid State Communications最新文献

{"title":"First-principles study of structural, electronic, thermodynamic, thermoelectric, and phonon properties of NbX2 (X=S, Se, and Te) nanosheets","authors":"Amir Yousefinejad ,&nbsp;Hasan Tashakori ,&nbsp;Esmaeil Pakizeh","doi":"10.1016/j.ssc.2025.116011","DOIUrl":"10.1016/j.ssc.2025.116011","url":null,"abstract":"<div><div>A first-principles study of the structural, electronic, thermodynamic, thermoelectric, and phonon properties of NbX₂ (X = S, Se, and Te) nanosheets is presented. Density functional theory (DFT) calculations using the Quantum ESPRESSO package are employed. Structural analysis reveals a hexagonal lattice. The calculated bond lengths are 2.43 Å (NbS₂), 2.55 Å (NbSe₂), and 2.73 Å (NbTe₂), increasing with chalcogen atomic radius. All compounds exhibit intrinsic magnetism and metallic behavior. Phonon dispersion calculations reveal the presence of phonon gaps. The phonon gap values are 28.93 cm⁻¹ (NbS₂), 2.56 cm⁻¹ (NbSe₂), and 31.06 cm⁻¹ (NbTe₂). Specific heat capacities, computed within the quasi-harmonic approximation, show a decrease with increasing atomic mass and approach the Dulong-Petit limit at high temperatures. Thermoelectric analysis demonstrates high Seebeck coefficients, with maximum values around 2385 μV/K at 300 K, and promising figures of merit (ZT) approaching 1.0 for all nanosheets at various doping levels and temperatures. These results highlight the potential of NbX₂ nanosheets for applications in thermoelectric devices, energy harvesting, and nanoelectronics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116011"},"PeriodicalIF":2.1,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154690","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":"Band structure and properties of a new crystal of the chalcopyrite family: LiGaSe2","authors":"Yury M. Basalaev ,&nbsp;Ekaterina B. Duginova ,&nbsp;Evgeny V. Duginov ,&nbsp;Oksana G. Basalaeva","doi":"10.1016/j.ssc.2025.116005","DOIUrl":"10.1016/j.ssc.2025.116005","url":null,"abstract":"<div><div>Within the framework of density functional theory using hybrid functionals, the energy band structure and phonon spectrum of the LiGaSe₂ (LGSe) semiconductor with a chalcopyrite structure have been obtained <em>ab initio</em>. The equilibrium parameters of the crystal lattice <em>a</em> = 5.61265 Å, <em>c</em> = 9.18515 Å, <em>u</em> = 0.2597 and the value of the direct band gap <em>E</em>_g = 2.21 eV have been calculated. Using the sublattice method, the origin of the bands in the crystal from the Li, Ga, Se sublattices and cationic tetrahedra LiSe₄ and GaSe₄ has been established. For long-wavelength oscillation frequencies at the Γ point, the contributions of individual atomic vibrations to the vibrational modes of the crystal have been determined. A map of the deformation density of the valence electron charge distribution has been obtained. The elastic moduli, Poisson's ratio, and microhardness generally characterize the LiGaSe₂ semiconductor as mechanically stable but soft and ductile material.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116005"},"PeriodicalIF":2.1,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144123417","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":"Exploring the Multifunctionality of Nd0.5Ba0.5FeO3: A computational study on structural, electronic, magnetic, and optical properties","authors":"Karim Souifi ,&nbsp;Ghada Raddaoui ,&nbsp;M. Nasri ,&nbsp;J. Khelifi ,&nbsp;Abdullah Saad Alsubaie ,&nbsp;Muslum Demir ,&nbsp;Konstantin P. Katin ,&nbsp;Elyor Berdimurodov ,&nbsp;Fazliddin Jalilov","doi":"10.1016/j.ssc.2025.115997","DOIUrl":"10.1016/j.ssc.2025.115997","url":null,"abstract":"<div><div>The growing demand for multifunctional materials with having good electronic, magnetic, and optical features require a exploration of innovative perovskite structures for advanced technological applications. In this study, we in-depth analyse of the structural, electronic, magnetic, and optical properties of Nd_0.5Ba_0.5FeO₃ (NBFO), a cubic perovskite material, using Density Functional Theory (DFT) corrected with a Hubbard on-site term (DFT + U). The calculations were performed using the Quantum Espresso software suite. The band structure analysis reveals metallic behavior with significant hybridization between oxygen and iron orbitals, favoring a C-AFM magnetic ordering as the most energetically stable configuration. The optical properties highlight absorption in the ultraviolet–visible (UV) range, demonstrating feasible applications in optoelectronics and spintronics. Finally, dielectric constants, extinction coefficients, and optical conductivity, were systematically explored. These findings position NBFO as a versatile material for advanced technological applications in high-frequency electronics, optoelectronic devices, and spintronics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115997"},"PeriodicalIF":2.1,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116987","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":"Size-dependent fluorescence properties of CdSe quantum dots","authors":"Uma Poudyal ,&nbsp;Chandra Mani Adhikari ,&nbsp;Nisha H. Makani ,&nbsp;Bhoj Raj Gautam ,&nbsp;Tikaram Neupane","doi":"10.1016/j.ssc.2025.115993","DOIUrl":"10.1016/j.ssc.2025.115993","url":null,"abstract":"<div><div>The optical properties of three different sizes of cadmium selenide (CdSe) quantum dots (QDs) were investigated using absorption, emission, and time-resolved photoluminescence spectroscopy. The absorption and emission spectra disclose the blue shift of a quantum dot due to quantum confinement effects. The contributions of the three individual components of the exciton lifetime of CdSe colloidal QDs were measured and their weighted average exciton life time was determined. A fast lifetime component (<span><math><msub><mrow><mi>τ</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>) related to the band edge to valence band transition, an intermediate lifetime component (<span><math><msub><mrow><mi>τ</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>) associated with the surface-trapped state to valence band or band edge to valence trapped state transition, and a slow lifetime component (<span><math><msub><mrow><mi>τ</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>) associated with the surface-trapped state to valence trapped state transition are included in calculating the average exciton lifetime in CdSe QDs. The study demonstrates that the band-edge transition consistently contributes more significantly to the overall exciton lifetime across all QDs sizes. It reveals that the lifetime increases with size for QDs smaller than Bohr radius. The same trend does not hold for QDs larger than Bohr radius. These findings offer a critical insight into the size-dependent optical properties of CdSe QDs and hold significant implications for the development of advanced optoelectronic devices and other cutting-edge technological applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115993"},"PeriodicalIF":2.1,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138621","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":"Understand the annealing effect of MgO8V3 nano-puffs derived from Azadirachta indica leaves extract mediated: its adverse impact on the photocatalysis of Indigo carmine","authors":"Nandisha P S ,&nbsp;Sowbhagya ,&nbsp;Umesha B ,&nbsp;Gajendra B O ,&nbsp;Veeresha G ,&nbsp;Nandhani M ,&nbsp;Vishwasgowda K ,&nbsp;Arpitha K","doi":"10.1016/j.ssc.2025.115998","DOIUrl":"10.1016/j.ssc.2025.115998","url":null,"abstract":"<div><div>Green route synthesis of nanomaterials has gained significance due to rich sources of reducing, oxidizing, capping, and growth polymers in greenery substances. This investigation reports a novel eco-friendly method to obtain MgO₈V₃ nanomaterial with unique nano-puff-like morphology at controlled temperatures (300, 400, 500 °C) by a simple sol-gel method for the first time by a green approach using <em>Azadirachta indica</em> leaves extract as a natural fuel. The synthesized MgO₈V₃ nanomaterial was analyzed using XRD, SEM, EDX, photocurrent response and FT-IR analytical techniques. The monoclinic crystal structure of MgO₈V₃ (500 °C) was confirmed by P-XRD. MgO₈V₃ (500 °C) exhibits nano-puff-like morphology, which is a promising candidate for the degradation of hazardous Indigo Carmine (InC) dye with 99.28 % efficiency, having a rate of 0.0287 min⁻¹. Comparatively, MgO₈V₃ annealed at 500 °C showed a high degree of degradation due to its morphology, causing high absorbance of incident light, leading to reduced charge recombination and improved band structure alignment.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115998"},"PeriodicalIF":2.1,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154767","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":"Monte Carlo investigation of magnetism and reentrance in Kagome-Graphene nanostructures","authors":"Z. Fadil ,&nbsp;Chaitany Jayprakash Raorane ,&nbsp;R. El Fdil ,&nbsp;Abdulrahman A. Alsayyari ,&nbsp;Khaled H. Mahmoud ,&nbsp;Seong Cheol Kim","doi":"10.1016/j.ssc.2025.116001","DOIUrl":"10.1016/j.ssc.2025.116001","url":null,"abstract":"<div><div>This article assesses the magnetic responses and reentrant behavior of Kagome-Graphene nanostructures using Monte Carlo simulations. The analysis examines the influence of temperature, crystal field, external magnetic field, and exchange interactions on magnetic behavior. The results reveal a distinct reentrant phenomenon, where magnetization temporarily vanishes before re-emerging, highlighting complex phase transitions. Furthermore, a multi-loop hysteresis behavior emerges under strong anisotropy, suggesting potential applications in multistate memory devices. These findings can contribute to the understanding of magnetic stability and tunability, which are essential for spintronic and high-density storage applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116001"},"PeriodicalIF":2.1,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124501","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":"Fullerene C70: electronic structure and optical absorption","authors":"A.I. Murzashev ,&nbsp;N.V. Melnikova ,&nbsp;M. Yu Kokurin ,&nbsp;S.K. Paymerov","doi":"10.1016/j.ssc.2025.116003","DOIUrl":"10.1016/j.ssc.2025.116003","url":null,"abstract":"<div><div>Energy spectrum and optical absorption spectrum of C₇₀ fullerene are calculated considering the intra-node Coulomb interaction of <span><math><mrow><mi>π</mi></mrow></math></span> -electrons. A good qualitative agreement of the obtained results with experimental data indicates that the contribution of this interaction to the electronic and optical properties of the investigated system is decisive. The optical spectrum is calculated here by two methods according to the selection rules and the Kubo formulae. Analysis of the obtained results shows that the second method provides more complete information about the absorption bands.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116003"},"PeriodicalIF":2.1,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107460","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 Andreev reflections in the three dimensional nodal-line semimetals-superconductor system","authors":"Xue-Yan Cheng,&nbsp;Ning-Xuan Yang,&nbsp;Rui Wang,&nbsp;Hui Liao,&nbsp;Chun-Yan Song,&nbsp;Ting-Ting Song","doi":"10.1016/j.ssc.2025.115987","DOIUrl":"10.1016/j.ssc.2025.115987","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Quantum transport is the process by which a particle changes from one state to another in a mesoscopic system. We construct a hybrid system of the anisotropic three dimensional topological nodal-line semimetals-superconductor (TNLSMs-SC), and the Andreev reflection of the hybrid system under two non-equivalent models (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-&lt;span&gt;&lt;math&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;z&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-&lt;span&gt;&lt;math&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; models) is studied by using the non-equilibrium Green’s function. The results show that the Andreev reflection of the hybrid system is obvious, and the Andreev reflection gradually enhances with the increase of Fermi energy &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;. In addition, it is found that only the bulk bands of the TNLSMs are involved in the Andreev reflection of the hybrid systems, and the Andreev reflection is closely related to the anisotropy of the topological nodal-line semimetals, which shows that TNLSMs has anisotropic charge shielding behavior. The strongly anisotropic behaviors of the Andreev reflection can be used as the characterization of TNLSMs in experimental detections. For the &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-&lt;span&gt;&lt;math&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; model, it is shown that band structure of the TNLSMs with each given &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; moves in the direction &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and behaves like two Weyl nodes, resulting in the contribution of bulk bands at each given &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; to the Andreev reflection of the hybrid system. For the &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;z&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-&lt;span&gt;&lt;math&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; model, only the bulk bands for &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;k&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;z&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mo&gt;±&lt;/mo&gt;&lt;mfrac&gt;&lt;mrow&gt;&lt;mi&gt;π&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;20&lt;/mn&gt;&lt;/mrow&gt;&lt;/mfrac&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mo&gt;±&lt;/mo&gt;&lt;mfrac&gt;&lt;mrow&gt;&lt;mi&gt;π&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;10&lt;/mn&gt;&lt;/mrow&gt;&lt;/mfrac&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; involve Andreev reflection of the hybrid system. The presence of the mass term &lt;span&gt;&lt;math&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; opens a gap in the band structure of the topological nodal-line semimetals. With the increase in the mass term &lt;span&gt;&lt;math&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;, the number of bulk bands involved in the Andreev reflection of the hybrid system decreases, leading to weaker Andreev reflection within the superconducting gap of the hybrid system. As the on-site energy &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ɛ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;z&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; increases, the nodal l","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115987"},"PeriodicalIF":2.1,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107414","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":"Strain-dependent structural, electronic and magnetic properties of ordered double transition Cr2TiC2F2 MXene through first principles study","authors":"Muhammad Amer Mustafa ,&nbsp;Shanawer Niaz ,&nbsp;Aftab Ahmad ,&nbsp;Syed Zuhair Abbas Shah ,&nbsp;James Sifuna","doi":"10.1016/j.ssc.2025.115999","DOIUrl":"10.1016/j.ssc.2025.115999","url":null,"abstract":"<div><div>MXenes, a rapidly emerging class of 2D materials, exhibit unique electronic, mechanical, and magnetic properties that make them highly promising for diverse technological applications. Among them, Cr-based MXenes hold particular significance due to their exceptional magnetic and electronic characteristics. In this study, we systematically investigate the strain-dependent electronic and magnetic properties of Cr₂TiC₂F₂ MXene using density functional theory (DFT) calculations. Structural optimization reveals that Cr₂TiC₂F₂ MXene possess an antiferromagnetic (AFM) ground-state configuration, with biaxial strain (−8 % to +8 %) applied to explore its impact on magnetic and electronic properties. Our results demonstrate that strain engineering significantly modulates the band gap and magnetic moments of Cr₂TiC₂F₂ MXene. It is shown that the band gap decreases with increasing tensile and compressive strain and projected density of states (PDOS) calculations highlight that Cr has the main role in semiconductor antiferromagnetic Cr₂TiC₂F₂ MXene. This comprehensive analysis not only enhances the understanding of strain effects on Cr-based MXenes but also paves the way for designing next-generation functional materials by leveraging strain-engineering techniques.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115999"},"PeriodicalIF":2.1,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167277","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 holmium (Ho) and (Ho, Mn) co-substitution on the magnetic and magnetoelectric properties of bismuth ferrites","authors":"Soumya G. Nair,&nbsp;Jyotirmayee Satapathy","doi":"10.1016/j.ssc.2025.115985","DOIUrl":"10.1016/j.ssc.2025.115985","url":null,"abstract":"<div><div>Bismuth Ferrites (BFO) doped and co-doped with Holmium (Ho) and Manganese (Mn) have gathered attention for their multiferroic and magnetoelectric properties at ambient temperature, positioning them as promising candidates for applications in spintronics, optoelectronics, and memory storage devices. This study investigates the magnetic and magnetoelectric characteristics of both pristine BiFeO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and its variants doped with Ho and co-doped with (Ho, Mn). The work provides insights into recent advances in understanding the mechanisms influencing band gaps and magnetoelectric coupling in (Ho, Mn) co-doped BFO, with a particular focus on the role of dopants in modulating its multiferroic behaviour. Structural and morphological properties were examined using X-ray diffraction (XRD) and Transmission Electron Microscopy (TEM), while X-ray Photoelectron Spectroscopy (XPS) enabled an analysis of the energy bands and molecular structure. Diffuse reflectance spectroscopy reveals a progressive decrease in the band gap with increasing Mn substitution at the iron sites, enhancing the material’s potential for optoelectronic applications. Magnetic hysteresis (M-H) and temperature-dependent magnetization (M-T) studies demonstrate enhanced ferromagnetic properties with Ho doping, while antiferromagnetic ordering is observed in samples co-doped with Mn, especially at lower temperatures. Holmium doping is shown to increase magnetoelectric coupling relative to pure BFO, though the coupling strength diminishes with higher Mn levels. These findings suggest that tailored (Ho, Mn) doping can significantly influence the magnetoelectric and optical properties of BFO, offering pathways for optimizing BFO in advanced multifunctional applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115985"},"PeriodicalIF":2.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107413","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}