Leonid Vilyaev , Dmitry Zav'yalov , Vladimir Konchenkov
{"title":"Anisotropic thermal conductivity properties of black phosphorene","authors":"Leonid Vilyaev , Dmitry Zav'yalov , Vladimir Konchenkov","doi":"10.1016/j.physe.2025.116330","DOIUrl":"10.1016/j.physe.2025.116330","url":null,"abstract":"<div><div>This paper investigates the total anisotropic electronic thermal conductivity of phosphorene, focusing on both phonon and electronic contributions. Utilizing the Boltzmann kinetic equation within the quasi-classical approximation, we derive analytical expressions for the electronic thermal conductivity in both armchair (<span><math><mrow><mi>A</mi><mi>C</mi></mrow></math></span>) and zigzag (<span><math><mrow><mi>Z</mi><mi>Z</mi></mrow></math></span>) directions. Our findings reveal that the electronic thermal conductivity exhibits significant directional dependence, with values in the <span><math><mrow><mi>Z</mi><mi>Z</mi></mrow></math></span>-direction being an order of magnitude greater than those in the <span><math><mrow><mi>A</mi><mi>C</mi></mrow></math></span>-direction at room temperature (300 K). The anisotropy is attributed to the differences in effective electron masses along these directions. We also explore the non-monotonic behavior of the dependence of the thermal conductivity on the angle between the temperature gradient and heat flux vectors, offering insights into the electronic contributions to thermal transport. The results suggest that experimental measurements of this angular dependence can be used to quantitatively isolate electronic effects in phosphorene, furthering its potential applications in electronics and optoelectronics.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116330"},"PeriodicalIF":2.9,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597535","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}
José A.S. Laranjeira , K.A.L. Lima , Nicolas F. Martins , Marcelo L.P. Junior , L.A. Ribeiro Junior , Julio R. Sambrano
{"title":"From 2D to 1D in β-naphthyne: A porous carbon allotrope merging graphyne and naphthylene","authors":"José A.S. Laranjeira , K.A.L. Lima , Nicolas F. Martins , Marcelo L.P. Junior , L.A. Ribeiro Junior , Julio R. Sambrano","doi":"10.1016/j.physe.2025.116316","DOIUrl":"10.1016/j.physe.2025.116316","url":null,"abstract":"<div><div>Two-dimensional (2D) carbon-based materials have attracted considerable interest due to their diverse structural and electronic properties, making them ideal for next-generation flat electronics. Among these materials, metallic-like porous structures offer advantages such as tunable charge transport and high surface area, which are essential for energy storage applications. In this study, we introduce <span><math><mi>β</mi></math></span>-naphthyne, a novel 2D carbon allotrope composed of naphthyl units interconnected by octagonal rings. First-principles calculations confirm its dynamic and thermal stability, demonstrating its theoretical feasibility. Furthermore, we demonstrate that Young’s modulus ranges from 43.71 N/m to 165.88 N/m, indicating an anisotropic mechanical response. Optical analysis reveals absorption activity in the infrared (IR) and ultraviolet (UV) regions. The derived 1D structures were also analyzed, revealing a Dirac cone and a transition from metallic to semiconducting behavior. These findings establish <span><math><mi>β</mi></math></span>-naphthyne as a promising material for energy storage and optoelectronic technologies.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116316"},"PeriodicalIF":2.9,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597536","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}
Zishan Yang , Anqi Li , Zhitao Wang , Feng Huang , Zhaoyang Chen
{"title":"A tunable terahertz metamaterial perfect absorber based on graphene for cancer cell detection","authors":"Zishan Yang , Anqi Li , Zhitao Wang , Feng Huang , Zhaoyang Chen","doi":"10.1016/j.physe.2025.116323","DOIUrl":"10.1016/j.physe.2025.116323","url":null,"abstract":"<div><div>This paper presents the design of a terahertz metamaterial absorber. This design incorporates a three-layer structure: the bottom layer (metal), the middle layer (medium material), and the top layer (patterned graphene), including graphene square frame and a double Z-shaped structure. The simplicity of this design streamlines the manufacturing process. Simulations were conducted using CST Microwave Studio. The results show that the absorber exhibits two absorption peaks with absorptivity of 90.86% and 100% at 3.85 THz and 5.04 THz, respectively. It is found that applying an external bias voltage can modulate the electrical conductivity of graphene, enabling dynamic regulation of the absorptivity and resonant frequency without altering the structural parameters. Additionally, the absorber’s structure is rotationally symmetric, making it polarization-insensitive. And the maximum incident angle for maintaining spectral stability can reach up to 80°. The very important feature of the proposed absorber is its high sensitivity of 1.64 THz/RIU, making it well-suited for practical applications in refractive index sensing. Meanwhile, the simulation for the detection of MCF-7 cancer cells was conducted. And the sensitivity of it is 1.714 THz/RIU. This level of sensitivity ensures effective detection of the target analytes.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116323"},"PeriodicalIF":2.9,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144579401","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}
Zhou Ai , Hua Yang , Mengsi Liu , Shubo Cheng , Junqiao Wang , Chaojun Tang , Fan Gao , Boxun Li
{"title":"Phase-transition-enabled dual-band camouflage in VO2/Ag multilayered nanostructures","authors":"Zhou Ai , Hua Yang , Mengsi Liu , Shubo Cheng , Junqiao Wang , Chaojun Tang , Fan Gao , Boxun Li","doi":"10.1016/j.physe.2025.116327","DOIUrl":"10.1016/j.physe.2025.116327","url":null,"abstract":"<div><div>In order to address the challenges of multispectral detection in day and night environments, a multilayer nanostructure integrating VO<sub>2</sub> and Ag for real-line dual-band visible-infrared camouflage is proposed. The structure utilises the temperature-dependent phase change characteristics of VO<sub>2</sub> in a Fabry-Pérot cavity to dynamically modify its structural coloring from cold to warm tones (e.g., from blue at 580 nm to yellow at 436 nm), thereby achieving background-adaptive visible light region stealth. Concurrently, the ultrathin silver layer functions to suppress the infrared emissivity (defined as ε < 0.1 in the 4–14 μm band), thereby ensuring minimal radiation contrast with the surrounding environment under both low and high temperature conditions. The simulation results demonstrate that the structure is polarization-insensitive and wide-angle tolerant (the infrared emissivity does not exceed 0.1 during the 0°–50° change), while the energy dissipation analysis indicates that the VO<sub>2</sub> layer exhibits a significant absorption effect on visible light and is driven by silver to suppress the infrared band. The colour-changing design offers a compact, adjustable, and practical solution for multispectral stealth in military applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116327"},"PeriodicalIF":2.9,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144563236","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}
Mizraim B. Teixeira , David Azevedo , Leonardo D. Machado
{"title":"Structure, energetics, and dynamics of penta-graphene nanoscrolls","authors":"Mizraim B. Teixeira , David Azevedo , Leonardo D. Machado","doi":"10.1016/j.physe.2025.116321","DOIUrl":"10.1016/j.physe.2025.116321","url":null,"abstract":"<div><div>Nanoscrolls can be derived from two-dimensional materials by rolling them into a papyrus-like structure. Their open-ended geometry gives them unique properties, such as variable interlayer distances. Nanoscrolls based on various types of monolayers have been proposed in the last decades, and in this work, we employ reactive Molecular Dynamics simulations to investigate penta-graphene nanoscrolls (PGNSs). We also study graphene nanoscrolls (GNSs) for comparison. Our energy analysis reveals that both scroll types are stable. We observed substantial differences when comparing the dynamics of GNSs and PGNSs, with the number of turns increasing to raise van der Waals interactions in the former. In contrast, this number always remained constant in the latter. Our results show that this difference arises from the different frictional characteristics of the parent monolayers, as the presence of buckling in penta-graphene leads to high friction, preventing edge movement in PGNSs. Our study highlights the importance of the frictional characteristics of monolayers to the dynamics of nanoscrolls.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116321"},"PeriodicalIF":2.9,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557453","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":"Theoretical study of the density of states and thermal properties of Cd1-xMnxTe quantum wire under the combined effects of the applied magnetic field, spin orbit coupling and exchange effects","authors":"Diana Dahliah, Asad Shendi, Mohammad Elsaid","doi":"10.1016/j.physe.2025.116326","DOIUrl":"10.1016/j.physe.2025.116326","url":null,"abstract":"<div><div>This study investigates the electronic, thermal, and magnetocaloric properties of the diluted magnetic semiconductor Cd<sub>1-x</sub>Mn<sub>x</sub>Te in quantum wire (QW) geometry. We solve the Hamiltonian for an electron confined in a cylindrical quantum wire under an external magnetic field, incorporating the Rashba spin–orbit interaction (SOI) and exchange interactions. The resulting energy dispersion relations are used to calculate the electronic structure, Landau levels and the density of states (DOS). Our analysis shows that the DOS is strongly influenced by the combined effects of spin splitting, Rashba SOI, exchange interaction, and magnetic field strength. By tuning these parameters, the DOS <em>pattern can be optimized</em> for specific spintronic applications. The magnetocaloric effect (MCE) is explored, revealing a pronounced MCE behavior in the low-temperature regime (T < 70 K). The results demonstrate that the magnetic and thermodynamic properties of Cd<sub>1-x</sub>Mn<sub>x</sub>Te quantum wires can be precisely modulated by adjusting the SOI strength, exchange interaction, temperature, and wire confinement. This tunability <em>highlights</em> the potential of this material for low-temperature spintronic applications, magnetic refrigeration technologies.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116326"},"PeriodicalIF":2.9,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144579400","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}
H. Allhibi , F. Aljuaydi , H.A. Hessian , A.-B.A. Mohamed
{"title":"Thermal behavior of two-nanowire-qubits states: Local quantum Fisher information and local quantum uncertainty","authors":"H. Allhibi , F. Aljuaydi , H.A. Hessian , A.-B.A. Mohamed","doi":"10.1016/j.physe.2025.116317","DOIUrl":"10.1016/j.physe.2025.116317","url":null,"abstract":"<div><div>This study investigates the generation and robustness of thermal nanowire quantum correlations (NWQCs) within a 2D electron gas system in an InAs quantum nanowire. The system is with a parabolic harmonic confinement potential, a perpendicular magnetic field, Rashba spin–orbit (RSO) coupling, and an external electric field. Using local quantum Fisher information (LQFI), local quantum uncertainty (LQU), and logarithmic negativity, the thermal quantum correlations are studied to account for Rashba spin–orbit coupling and magnetic field effects in both the absence and presence of external electric fields. It is found that enhancing thermal nanowire quantum correlations (NWQCs) can be achieved by reducing Rashba spin–orbit coupling and the strengths of external magnetic and electric fields. In our study, we investigate how Rashba spin–orbit coupling and external magnetic and electric fields affect the thermal nanowire quantum correlations generated at a given bath temperature. Furthermore, decreasing the couplings of the RSO interaction, magnetic field, or electric field reduces the thermal NWQCs’ dependence on each of these factors. The results show that the intensity of the external magnetic field and Rashba spin–orbit interaction control the symmetric dependence of thermal nanowire quantum correlations on the electric field coupling.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116317"},"PeriodicalIF":2.9,"publicationDate":"2025-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144518464","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":"Controlled-phase gate in exchange coupled quantum dots affected by quasistatic charge noise","authors":"Yinan Fang","doi":"10.1016/j.physe.2025.116319","DOIUrl":"10.1016/j.physe.2025.116319","url":null,"abstract":"<div><div>Charge noise has been one of the main issues in realizing high fidelity two-qubit quantum gates in semiconductor based qubits. Here, we study the influence of quasistatic noise in quantum dot detuning on the controlled-phase gate for spin qubits that defined on a double quantum dot. Analytical expressions for the noise averaged Hamiltonian, exchange interaction, as well as the gate fidelity are derived for weak noise covering experimental relevant regime. We also perform interleaved two-qubit randomized benchmarking analysis for the controlled-phase gate and show that an exponential decay of the sequential fidelity is still valid for the weak noise.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116319"},"PeriodicalIF":2.9,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549580","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}
Bo Song , Kun Cai , Liang Bian , Zhu-Hua Yan , Qing-Hua Qin
{"title":"Tunable morphology of graphyne/graphene nanoscrolls via self-scrolling of nanoribbons on a CNT: A theoretical prediction","authors":"Bo Song , Kun Cai , Liang Bian , Zhu-Hua Yan , Qing-Hua Qin","doi":"10.1016/j.physe.2025.116324","DOIUrl":"10.1016/j.physe.2025.116324","url":null,"abstract":"<div><div>Graphyne/graphene nanoscroll (GY/G-NS) heterostructures, known for their enhanced synergistic performance, hold significant potential in catalysis and energy applications. To meet specific application needs, GY/G-NSs with tunable morphologies are highly desirable. In this study, we introduce three models, each consisting of a graphyne and a graphene nanoribbon placed near a carbon nanotube (CNT), with different initial relative positions for finding an appropriate way to fabricate GY/G-NSs. Molecular dynamics simulations reveal that when the CNT radius exceeds a critical value, it can effectively trigger the self-scrolling of the hybrid nanoribbons to form GY/G-NSs. Two types of configurations—interlaced and covered—are discovered using these models. These configurations can be switched by adjusting the nanoribbon lengths or the CNT radius. Furthermore, the relative positioning of the nanoscrolls within a covered GY/G-NS can be controlled by modulating the release mode of the ribbons on opposite sides of the CNT. This study provides insights into the tailored use of graphyne and graphene for custom heterojunctions in advanced applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116324"},"PeriodicalIF":2.9,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144518463","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":"RKKY interaction in triangular graphene nanobubble","authors":"Binyuan Zhang , Tiancheng Ma , Weijiang Gong","doi":"10.1016/j.physe.2025.116315","DOIUrl":"10.1016/j.physe.2025.116315","url":null,"abstract":"<div><div>Using the Lanczos method as a numerically exact theoretical framework, we investigate the Ruderman–Kittel–Kasuya–Yosida (RKKY) interaction in the triangular graphene nanobubble. Our results demonstrate that Saremi’s rule remains valid in the charge-neutral triangular graphene nanobubble. However, the characteristic <span><math><msup><mrow><mi>R</mi></mrow><mrow><mo>−</mo><mn>3</mn></mrow></msup></math></span> decay of the RKKY interaction observed in pristine graphene is disrupted when both magnetic impurities are located within the nanobubble. This decay behavior is restored when one impurity is positioned far from the nanobubble center, regardless of the other impurity’s location. By tuning the height of the nanobubble, the strength of the RKKY interaction can be enhanced by up to three orders of magnitude compared to that in pristine graphene. Moreover, we reveal that carrier doping, which shifts the Fermi level away from the Dirac point, can induce a transition from anti-ferromagnetic to ferromagnetic RKKY coupling between impurities on opposite sublattices, depending on the nanobubble height. These findings provide new insights into the manipulation of magnetic interactions in nanostructured graphene systems and pave the way for potential applications in graphene-based spintronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116315"},"PeriodicalIF":2.9,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502776","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}