Nguyen Thi Han , Pham The Tan , J. Guerrero-Sanchez , D.M. Hoat
{"title":"First-principles study of Janus WSSe monolayer doped/co-doped with transition metals and halogens","authors":"Nguyen Thi Han , Pham The Tan , J. Guerrero-Sanchez , D.M. Hoat","doi":"10.1016/j.physe.2025.116397","DOIUrl":"10.1016/j.physe.2025.116397","url":null,"abstract":"<div><div>In this work, doping/codoping with transition metals (TM = Mn and Fe) and halogens (Ha = Cl and Br) are proposed for the band structure and magnetism engineering in Janus WSSe monolayer. The calculated band structure and magnetic moment confirm the nonmagnetic direct-gap semiconductor nature of WSSe monolayer. The substitution of single Mn, Fe, and Br impurities magnetizes the monolayer with total magnetic moments of 1.00, 2.00, and 0.94 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span>, respectively. Moreover, the doping also induces feature-rich half-metallicity in WSSe monolayer. In contrast, the monolayer is metallized by Cl doping, while no magnetism is generated. Further, dual doping with TM-Ha pairs and doping with small Cl-TM-Br clusters are also investigated. Unlike the cases of single atom doping, magnetic semiconductor nature is obtained in these cases, where strong spin splitting is generated by multiple mid-gap energy states. It is found that the magnetic and electronic properties are determined primarily by Mn/Fe impurities and W atoms around doping sites, where the contribution from halogen impurities is negligible. The role of charge loser of Mn/Fe atoms and charge gainer of Cl/Br atoms is also confirmed through Bader charge analysis. Moreover, the calculated effective Bader charges of constituent atoms also allow analyzing the interactions between pair-impurities or small clusters with the host monolayer. Our findings may suggest effective methods for the functionalization of Janus WSSe monolayer towards spintronic applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116397"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145363432","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}
Limei Zheng, Yu Li, Dazhi Sun, Baozeng Zhou, Xiaocha Wang
{"title":"Broken sublattice symmetry induced gap opening of spin-polarized Dirac cone in MnF3","authors":"Limei Zheng, Yu Li, Dazhi Sun, Baozeng Zhou, Xiaocha Wang","doi":"10.1016/j.physe.2025.116382","DOIUrl":"10.1016/j.physe.2025.116382","url":null,"abstract":"<div><div>Two-dimensional (2D) transition-metal trihalides have received extensive attention in the field of novel spintronic devices and heterostructure coupling is an effective method for achieving multifunctional integration and regulation. In this work, using first-principles calculations, we systematically study the electronic structure and magnetic properties of the 2D MnF<sub>3</sub>/graphene heterostructures. MnF<sub>3</sub> monolayer exhibits Dirac half-metal properties, with electron states featuring Dirac cones in its single spin channel. With different stacking configurations, the electronic properties of both are well preserved from the band structure, interfacial charge transfer only causes the relative movement of the electronic states. Additionally, due to the broken sublattice symmetry of MnF<sub>3</sub> in heterostructure, a gap opening of 24.9 meV appears around the spin-polarized Dirac cone in MnF<sub>3</sub>. Moreover, the formation of heterostructure significantly enhances the in-plane magnetic anisotropy of the MnF<sub>3</sub> monolayer. By reducing the interlayer distance, the spin-polarized Dirac cone has a larger gap opening of 555.5 meV, which induces the transition of MnF<sub>3</sub> from Dirac half-metal to magnetic semiconductor, and the Curie temperature (<em>T</em><sub>C</sub>) increases obviously. Furthermore, a spin logic device based on MnF<sub>3</sub>/graphene heterostructures is proposed, which can complete the resistive state switching from the \"1″ state to the \"0″ state by application of pressure. These results provide a reference for the application of MnF<sub>3</sub>/graphene heterostructure in spintronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116382"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145220920","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}
Jolanta Maksymiuk , Izabela A. Wrona , Artur P. Durajski
{"title":"Effect of Al-doping on the optical properties of monolayer MoS2","authors":"Jolanta Maksymiuk , Izabela A. Wrona , Artur P. Durajski","doi":"10.1016/j.physe.2025.116423","DOIUrl":"10.1016/j.physe.2025.116423","url":null,"abstract":"<div><div>In this study, we conducted a thorough first-principles investigation of the structural, electronic, and optical properties of monolayer MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> modified via substitutional doping with aluminum atoms. Density functional theory (DFT) in conjunction with the random phase approximation (RPA) was utilized to investigate a comprehensive spectrum of Al concentrations, ranging from 5.5% (MoS<sub>1.89</sub>Al<sub>0.11</sub>) to a complete substitution at 50% (MoSAl). This approach was undertaken to elucidate the doping-dependent evolution of optical spectra. The results of this study demonstrate that Al incorporation induces significant lattice distortions and electronic state rearrangements, resulting in a transition from semiconducting to metallic behavior as the doping level increases. The computed frequency-dependent optical functions demonstrate a substantial enhancement in both the real and imaginary components of the dielectric function, as well as in the refractive index, extinction coefficient, and absorption coefficient. In particular, highly doped systems such as MoS<sub>1.11</sub>Al<sub>0.89</sub> and MoSAl exhibit significantly increased absorption in the ultraviolet (UV) range, accompanied by a marked reduction in optical transmittance and enhanced reflectivity. These findings demonstrate that Al-doped MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayers offer highly tunable optoelectronic characteristics and identify MoSAl as a promising candidate for ultraviolet-filtering applications. This work provides theoretical insights that may guide future experimental efforts in designing transparent optoelectronic components, UV-blocking coatings, and photodetectors based on tailored 2D materials.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"176 ","pages":"Article 116423"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615082","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 Hasnain Jameel , Samreen Kousar , Aqeela Yaseen , Jia Luo , Hongyan Wang
{"title":"First-principles calculations of structural, optoelectronic, and thermal behavior of 2D monolayer zirconium trihalide ZrX3 (X =Cl, Br, I) for photocatalytic application","authors":"Muhammad Hasnain Jameel , Samreen Kousar , Aqeela Yaseen , Jia Luo , Hongyan Wang","doi":"10.1016/j.physe.2025.116392","DOIUrl":"10.1016/j.physe.2025.116392","url":null,"abstract":"<div><div>The structure, electronic, optical, and thermal properties of monolayer zirconium trihalides ZrX<sub>3</sub> (X = Cl, Br, I) have been studied by density functional theory. The calculation of optical constants confirms that ZrCl<sub>3</sub>, ZrBr<sub>3,</sub> and ZrI<sub>3</sub> have strong optical anisotropy. In the visible range, the light absorption efficiency of ZrCl<sub>3</sub>, ZrBr<sub>3,</sub> and ZrI<sub>3</sub> is measured in the direction of the electric field. More interestingly, the optical absorption coefficient within ultraviolet and visible infrared regions is <span><math><mrow><mn>3</mn><mo>×</mo><msup><mn>10</mn><mn>5</mn></msup><mspace></mspace><msup><mrow><mi>c</mi><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>1.9</mn><mo>×</mo><msup><mn>10</mn><mn>5</mn></msup><mspace></mspace><msup><mrow><mi>c</mi><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> and <span><math><mrow><mn>1.8</mn><mo>×</mo><msup><mn>10</mn><mn>5</mn></msup><mspace></mspace><msup><mrow><mi>c</mi><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> for ZrCl<sub>3</sub>, ZrBr<sub>3</sub> and ZrI<sub>3</sub> respectively. The absorption edge systematically red shifts from ZrCl<sub>3</sub>, ZrBr<sub>3,</sub> and ZrI<sub>3</sub>, reflecting the reduction in energy bandgap (E<sub>g</sub>) from 2.46, 1.90, to 0.42 eV with heavier halogen atoms Cl, Br, and I, respectively. The thermal impact on macroscopic properties of ZrCl<sub>3</sub>, ZrBr<sub>3,</sub> and ZrI<sub>3</sub> is predicted using the quasi-harmonic Debye model. According to Mesodynamics analysis, monolayer zirconium trihalide ZrX<sub>3</sub> (X = Cl, Br, I) shows mass and bonding heterogeneity, decreases light scattering, and increases thermal conductivity, as indicated by red color high potential regions and blue color low potential and middle color shows variation in density may be due to atomic/mass density defect. Phonon dispersion explored at the mesoscale level shows that at lower frequency, optical modes of ZrCl<sub>3</sub>, ZrBr<sub>3,</sub> and ZrI<sub>3</sub> couple more strongly with acoustic modes, increasing phonon-phonon scattering and increasing thermal conductivity. The variations of the enthalpy (U-U), entropy (S-S), heat capacity, Debye temperature, and free energy with temperature function are obtained successfully. It is astounding that ZrCl<sub>3</sub> shows prominent thermal stability as compared to ZrBr<sub>3</sub> and ZrI<sub>3</sub> at high temperatures, such as above 150 K.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116392"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145417027","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}
Xiang Huang , Weiye Hou , Jie Zhang , Jiaye Gu , Qin Jin , Hongbo Wu , Zhe Zhang
{"title":"Defect-strain synergy tunes Au d-band center and triggers spontaneous O2 activation on goldene","authors":"Xiang Huang , Weiye Hou , Jie Zhang , Jiaye Gu , Qin Jin , Hongbo Wu , Zhe Zhang","doi":"10.1016/j.physe.2025.116417","DOIUrl":"10.1016/j.physe.2025.116417","url":null,"abstract":"<div><div>Goldene, the first experimentally realized free-standing two-dimensional monolayer of elemental gold, exhibits unique dimension-driven effects and outstanding physicochemical properties. However, its environmental stability remains a challenge, and the synergistic effects of defects and mechanical strain on its surface electronics and oxidation behavior have yet to be fully understood. In this work, by jointly considering surface defects and strain effects, we systematically investigated the adsorption and dissociation behavior of oxygen molecules on goldene surfaces using first-principles calculations with advanced machine learning molecular dynamics (MLMD) simulations. On defective goldene, O<sub>2</sub> adsorption is strengthened and the dissociation barrier is reduced from 1.81 eV to 0.57 eV. Under tensile strain, adsorption increases nearly linearly, with a further decrease in the barrier that weakens oxidation resistance. Electronic structure analysis reveals that the tensile strain shifts the Au d-band center upward, thereby enhancing the hybridization between O 2p and Au 5d orbitals, which fundamentally promotes O<sub>2</sub> activation. In particular, at larger tensile strains (∼5 %), the barrier disappearance enables spontaneous O<sub>2</sub> activation on defective goldene surface through synergistic strain-vacancy effects. Our detailed MLMD simulations further validate these findings, demonstrating the O<sub>2</sub> dissociation pathway evolution and reaction dynamics in the strained defective system. This work elucidates how vacancy defects and strain synergistically regulate goldene's surface chemistry, advancing microscopic understanding of the physical picture of surface reactivity control in 2D metallic materials and offer valuable guidance for designing stable and highly active 2D metal-based catalysts.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"176 ","pages":"Article 116417"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569532","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":"Adsorption of toxic gases chlorine, phosgene, and mustard on tetrahexcarbon: DFT and semi-empirical MD studies","authors":"Morteza Torabi Rad, Ramin Karimian","doi":"10.1016/j.physe.2025.116376","DOIUrl":"10.1016/j.physe.2025.116376","url":null,"abstract":"<div><div>This study demonstrates that tetrahexcarbon (THC) serves as an effective substrate for detecting toxic gases chlorine, phosgene, and mustard through non-covalent interactions. Density functional theory (DFT) calculations reveal excellent agreement with reference structures and size-dependent morphology (planar C<sub>60</sub>H<sub>28</sub> vs. saddle-shaped C<sub>98</sub>H<sub>36</sub>). The THC substrate maintains a 3.83<!--> <!-->eV band gap with <span><math><mo><</mo></math></span>12<!--> <!-->% reduction upon adsorption, while DOS, NBO, and ELF analyses confirm physisorption with minimal electronic perturbation. Adsorption energies follow reasonable pattern: mustard (-24.75<!--> <!-->kcal<!--> <!-->mol<sup>-1</sup>) <span><math><mo>></mo></math></span> phosgene (-13.18<!--> <!-->kcal<!--> <!-->mol<sup>-1</sup>) <span><math><mo>></mo></math></span> chlorine (-10.56<!--> <!-->kcal<!--> <!-->mol<sup>-1</sup>), supported by QTAIM showing 2-11 bond critical points with positive <span><math><mrow><msup><mrow><mo>∇</mo></mrow><mrow><mn>2</mn></mrow></msup><mi>ρ</mi></mrow></math></span>. Chlorine exhibits superior sensitivity (9.11 × 10<sup>18</sup> electrons/m<sup>3</sup>) and fast recovery (1.84<!--> <!-->ns), enabling reusable detection, while mustard’s slow recovery (46.1<!--> <!-->s) suggests single-use applications. Thermodynamics confirm spontaneous adsorption (<span><math><mrow><mi>Δ</mi><mi>G</mi><mo><</mo><mn>0</mn></mrow></math></span>) with entropy trends reflecting molecular complexity, consistent with water interactions. Semi-empirical molecular dynamics (MD) simulations confirm the DFT-optimized configuration as the global minimum, with all sampled states showing higher energies and no chemical reactions, further validating THC’s physisorption capability for these toxic gases. These results position THC as a versatile platform for both real-time monitoring and one-time detection of chemical threats. Future work will investigate doping techniques to further optimize the properties of THC for applications in sensing, adsorption, and catalysis.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116376"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145159008","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}
Carlos Magno O. Pereira, Frankbelson dos S. Azevedo, Edilberto O. Silva
{"title":"Exact treatment of rotation-induced modifications in two-dimensional quantum rings","authors":"Carlos Magno O. Pereira, Frankbelson dos S. Azevedo, Edilberto O. Silva","doi":"10.1016/j.physe.2025.116416","DOIUrl":"10.1016/j.physe.2025.116416","url":null,"abstract":"<div><div>We investigate the influence of rotation on the Fermi energy, magnetization, and persistent current in two-dimensional quantum rings. Using the Tan-Inkson confinement potential and incorporating rotational effects through a non-inertial coupling, we derive analytical expressions for the energy levels and examine the modifications induced by rotation. We then numerically explore how variations in angular velocity affect the Fermi energy, magnetization, and persistent current. Our results show that rotation has a significant impact on these physical properties, underscoring the importance of considering rotational effects in quantum ring systems. This suggests that rotation could serve as a control parameter in the development of new mesoscopic devices, without the need for additional fields or geometric modifications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"176 ","pages":"Article 116416"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518054","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}
G.P. Fuentes , L.A.P. Gonçalves , E. Padrón-Hernández , M. Cabrera-Baez
{"title":"Geometry-driven modulation of spin wave spectra in undulated YIG nanostrip","authors":"G.P. Fuentes , L.A.P. Gonçalves , E. Padrón-Hernández , M. Cabrera-Baez","doi":"10.1016/j.physe.2025.116398","DOIUrl":"10.1016/j.physe.2025.116398","url":null,"abstract":"<div><div>We present a quantitative micromagnetic study on spin wave dynamics in sinusoidally undulated YIG nanostrip, demonstrating that surface geometry can induce magnonic branch-enlargement without compositional modulation. Our simulations reveal that for surface modes (<span><math><mrow><mover><mrow><mi>k</mi></mrow><mo>→</mo></mover><mo>⊥</mo><msub><mrow><mover><mrow><mi>H</mi></mrow><mo>→</mo></mover></mrow><mrow><mn>0</mn></mrow></msub></mrow></math></span>), increasing of ripple depth <span><math><mi>δ</mi></math></span> from 5 nm to 20 nm results in a band broadening <span><math><mrow><mi>Δ</mi><mi>f</mi></mrow></math></span> scaling linearly from 0.5 GHz to 2.0 GHz. For Volume modes (<span><math><mrow><mover><mrow><mi>k</mi></mrow><mo>→</mo></mover><mo>∥</mo><msub><mrow><mover><mrow><mi>H</mi></mrow><mo>→</mo></mover></mrow><mrow><mn>0</mn></mrow></msub></mrow></math></span>) forbidden band gaps appear from wave-vectors <span><math><mrow><mi>k</mi><mo>=</mo><mi>m</mi><mi>π</mi><mo>/</mo><msub><mrow><mi>λ</mi></mrow><mrow><mi>N</mi></mrow></msub><mo>≈</mo><mn>0</mn><mo>.</mo><mn>1</mn></mrow></math></span> (rad/nm). We propose an analytical scaling <span><math><mrow><mi>Δ</mi><mi>f</mi><mo>∝</mo><mi>δ</mi><msup><mrow><mo>sin</mo></mrow><mrow><mn>2</mn></mrow></msup><mrow><mo>(</mo><mi>π</mi><mi>k</mi><mo>/</mo><msub><mrow><mi>k</mi></mrow><mrow><mi>Bragg</mi></mrow></msub><mo>)</mo></mrow></mrow></math></span>, validated by the numerical data, establishing a predictive model for ripple-induced spectral modulation. The curvature-driven anisotropy and demagnetizing field variations explain the observed spectral diffusion. Our results provide a robust framework for geometrical control of spin wave propagation, offering a design pathway for planar, lithography-compatible magnonic devices with reconfigurable dispersion characteristics. At this level, annalistic calculations are not efficient.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116398"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145363366","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":"Robust global tripartite entanglement in a mixed spin-(1,1/2,1) Heisenberg trimer","authors":"H. Vargová","doi":"10.1016/j.physe.2025.116393","DOIUrl":"10.1016/j.physe.2025.116393","url":null,"abstract":"<div><div>We rigorously analyse global tripartite entanglement in a mixed-spin (<span><math><mn>1</mn></math></span>,<span><math><mrow><mn>1</mn><mo>/</mo><mn>2</mn></mrow></math></span>,<span><math><mn>1</mn></math></span>) Heisenberg trimer under varying exchange couplings, magnetic fields, and temperatures. Entanglement is quantified using the geometric mean of all three bipartite negativities, enabling us to map precisely the regions of spontaneous global entanglement and to classify the tripartite states according to the distribution of reduced bipartite correlations. We further investigate the thermal stability of entanglement across the full parameter space, with particular focus on the experimentally realised trimer [Ni(bapa)(H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O)]<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>Cu(pba)(ClO<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>)<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (bapa = bis(3-aminopropyl)amine; pba = 1, 3-propylenebis(oxamato)), where global entanglement is predicted to persist up to <span><math><mrow><mo>∼</mo><mn>100</mn></mrow></math></span> K and magnetic fields approaching 210 T. Notably, we observe a thermally induced activation of robust entanglement in regions with a biseparable ground state, reaching values close to <span><math><mrow><mn>1</mn><mo>/</mo><mn>2</mn></mrow></math></span> - a phenomenon not previously reported. Finally, we propose a connection between the theoretically predicted tripartite entanglement and experimentally measurable quantities.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116393"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145363433","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}
F. Castañeda-Ramírez , M. Martínez-Mares , A.M. Martínez-Argüello
{"title":"Voltage fluctuations in a four-terminal quantum device with orthogonal, unitary or symplectic symmetry","authors":"F. Castañeda-Ramírez , M. Martínez-Mares , A.M. Martínez-Argüello","doi":"10.1016/j.physe.2025.116386","DOIUrl":"10.1016/j.physe.2025.116386","url":null,"abstract":"<div><div>The statistical fluctuations of the voltage across a quantum wire in a four-terminal arrangement, where two of the terminals are used as probes while the other two are used to establish a flux current, is studied in the single channel case. The quantum wire to be measured consists of a chaotic microcavity or a disordered conductor in the presence of one of the three symmetry classes: orthogonal, unitary, or symplectic. Using the circular ensembles of random matrix theory or the Dorokov–Mello–Pereyra–Kumar (DMPK) equation, the statistical distribution of the voltage is reduced to quadratures for noninvasive probes which is solved numerically. Numerical simulations from random matrix theory or for the DMPK equation are performed for any coupling strength of the probes. For the chaotic cavity the effect of the symmetry class is clearly manifested through the weak and weak anti-localization phenomena for the orthogonal and symplectic symmetry classes, respectively. A similar effect is found, but with respect to the degree of disorder in a quantum wire as it evolves from strong to weak disorder: a simple correspondence between the label of the symmetry class and the degree of disorder, is found.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116386"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145267671","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}