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Theoretical study on superconductivity of metal-intercalated boron carbon compounds
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-24 DOI: 10.1140/epjb/s10051-024-00860-8
Ya-Ping Li, Ying-Jie Chen, Meng-Meng Zheng

In recent years, two-dimensional (2D) superconducting materials have garnered significant interest due to their unique properties and potential applications. Here, we conducted thermodynamic and dynamic stability studies on 51 metal-intercalated hexagonal boron carbon (h-BC) compounds, and ultimately identified 22 stable compounds. Among these 22 compounds, 18 materials are metals, while the remaining 4 materials include 1 semiconductor ((hbox {MgB}_{2}hbox {C}_{2})) and 3 semimetals ((hbox {TiB}_{2}hbox {C}_{2}), (hbox {ZrB}_{2}hbox {C}_{2}), and (hbox {HfB}_{2}hbox {C}_{2})). The possible superconductivity of eighteen metals is studied by solving the Allen–Dynes modified McMillan equation to estimate their superconducting transition temperature ((T_{c})). The highest (T_{c}) is observed in (hbox {KB}_{2}hbox {C}_{2}) ((T_{c}) = 53.47 K), followed by (hbox {NaB}_{2}hbox {C}_{2}) ((T_{c}) = 48.30 K), while the lowest (T_{c}) is in (hbox {AlB}_{2}hbox {C}_{2}) ((T_{c}) = 0.04 K). Due to the high (T_{c}) of alkali metal intercalation compounds, this work mainly focuses on them. For alkali metal intercalation compounds, we found that the (T_{c}) rises with the increase of the main group atomic number, mainly due to the degree of metalization of the (sigma )-bonding band at the Fermi level. Another important reason is the softening of the phonon spectrum. These findings enrich the family of 2D superconductors, providing new theoretical insights for experimental synthesis and opening research ideas for 2D superconducting electronic devices.

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引用次数: 0
Dual quadratic compound multiswitching anti-synchronization of Lorenz, Rössler, Lü and Chen chaotic systems Lorenz, Rössler, Lü和Chen混沌系统的双二次复合多开关反同步
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-21 DOI: 10.1140/epjb/s10051-024-00855-5
Govind Singh, Dinesh Khattar, Neha Agrawal

This paper offers a unique synchronization strategy for synchronizing eight chaotic systems. The new approach is referred to as dual quadratic compound anti synchronization. We additionally employed signal multi-switching to augment the complexity of the suggested technique. In communication theory, the transmission and security of the resulting signal are more effective because of the numerous combinations of chaotic systems and multiswitching that provide such complicated dynamic behavior. To demonstrate the acquired results, Lorenz, Rössler, Lü, and Chen chaotic system are used. Using the Lyapunov stability principle, sufficient conditions are attained and appropriate controllers are built to achieve the required synchronization between eight chaotic systems. To validate the findings from theory, numerical simulations, and graphics are presented using MATLAB.

本文提出了一种独特的八混沌系统同步策略。这种新方法被称为双二次复合反同步。我们还使用了信号多交换来增加所建议技术的复杂性。在通信理论中,由于混沌系统和多交换的大量组合提供了如此复杂的动态行为,因此产生的信号的传输和安全性更加有效。为了证明所获得的结果,使用了Lorenz, Rössler, Lü和Chen混沌系统。利用李雅普诺夫稳定性原理,得到了实现8个混沌系统同步的充分条件,并建立了相应的控制器。为了验证理论结果,利用MATLAB给出了数值模拟和图形。
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引用次数: 0
Magnetic and dielectric studies of the La0.8Na0.2Mn0.97Fe0.03O3 sol–gel compound la0.8 na0.2 mn0.97 fe0.030 o3溶胶-凝胶复合物的磁性和介电特性研究
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-21 DOI: 10.1140/epjb/s10051-024-00857-3
M. R. Laouyenne, Mohamed Baazaoui, Fatma Aouaini, Beriham Basha, KholoudSaad Al-mugren

This research aimed to investigate the magnetic and dielectric phenomena of the La0.8Na0.2Mn0.97Fe0.03O3 sol–gel compound. Through the magnetic analysis of M (μ0H, T), we observed that the compound undergoes a ferromagnetic–paramagnetic phase transition. A perfect coincidence was observed between the magnetic entropy changes calculated using the Maxwell relation and Landau theory only in the high-temperature range. Furthermore, based on the mean field theory, we calculate the number of spins (S = 3) and the saturation magnetization (Msat = 87emu/g). With these parameters, we computed – ΔSM at different applied magnetic fields. We have observed an appreciable coincidence between -ΔSM calculated using the Maxwell relation and mean field model, confirming the validity of this technique. This suggests that the phase transition of our compound is completely described by the mean field model. Moving forward, we planned to continue investigating of the compound in our study by the critical phenomena. We calculated the critical exponent values using different approaches, such as Kouvel–Fisher, Modified Arrott plot, and critical isotherm technique. The Banerjee approach confirmed that the phase transition is of second order. We determined that the mean field model is the best description for the transition of La0.8Na0.2Mn0.97Fe0.03O3. The determined values are β = 0.43, γ = 1.09 and δ = 3.57. Finally, the total conductivity plots for the sample were established by Jonscher power law. The effect of frequency, temperature on the constant dielectric (ε") and the dielectric loss (tan δ) has been deliberated in terms of hopping of the charge carriers between Mn3+ and Mn4+ ions. Activation energy has been calculated from both temperature dependence of the continuous conductivity and the relaxation time values that confirm that same kinds of charge carriers are governing both the processes. Nyquist plot of the impedance displays semicircle arcs and the electrical equivalent circuit of the type of RG + (RGB//CPE) has been proposed to explain the impedance results.

Graphical abstract

本研究旨在研究la0.8 na0.2 mn0.97 fe0.030 o3溶胶-凝胶复合物的磁性和介电现象。通过对M (μ0H, T)的磁性分析,我们发现化合物发生了铁磁-顺磁相变。用麦克斯韦关系和朗道理论计算的磁熵变化只有在高温范围内才完全吻合。基于平均场理论,我们计算了自旋数(S = 3)和饱和磁化强度(Msat = 87emu/g)。利用这些参数,我们计算了- ΔSM在不同外加磁场下的值。我们观察到使用麦克斯韦关系计算的-ΔSM与平均场模型之间有明显的重合,证实了该技术的有效性。这表明化合物的相变完全可以用平均场模型来描述。下一步,我们计划通过临界现象继续研究我们研究中的化合物。我们使用不同的方法计算临界指数值,如Kouvel-Fisher、Modified Arrott plot和临界等温线技术。Banerjee方法证实相变是二阶的。我们确定平均场模型是la0.8 na0.2 mn0.97 fe0.030 o3相变的最佳描述。测定值为β = 0.43, γ = 1.09, δ = 3.57。最后,利用Jonscher幂律建立了样品的总电导率图。从Mn3+和Mn4+离子之间载流子跳变的角度,讨论了频率、温度对介电常数ε"和介电损耗tan δ的影响。从连续电导率的温度依赖性和弛豫时间值计算了活化能,证实了同一种类的载流子控制着这两个过程。阻抗的奈奎斯特图显示为半圆弧,并提出了RG +型的等效电路(RGB//CPE)来解释阻抗结果。图形抽象
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引用次数: 0
Discovering motifs to fingerprint multi-layer networks: a case study on the connectome of C. Elegans 发现指纹多层网络的基序:秀丽隐杆线虫连接体的案例研究
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-20 DOI: 10.1140/epjb/s10051-024-00848-4
Deepak Sharma, Matthias Renz, Philipp Hövel

Motif discovery is a powerful and insightful method to quantify network structures and explore their function. As a case study, we present a comprehensive analysis of regulatory motifs in the connectome of the model organism Caenorhabditis elegans (C. elegans). Leveraging the Efficient Subgraph Counting Algorithmic PackagE (ESCAPE) algorithm, we identify network motifs in the multi-layer nervous system of C. elegans and link them to functional circuits. We further investigate motif enrichment within signal pathways and benchmark our findings with random networks of similar size and link density. Our findings provide valuable insights into the organization of the nerve net of this well-documented organism and can be easily transferred to other species and disciplines alike.

Motif发现是量化网络结构和探索其功能的一种有力而有见地的方法。作为一个案例研究,我们提出了模式生物秀丽隐杆线虫(秀丽隐杆线虫)连接组的调控基序的全面分析。利用高效子图计数算法包(ESCAPE)算法,我们识别了秀丽隐杆线虫多层神经系统中的网络基序,并将它们与功能电路联系起来。我们进一步研究信号通路中的基序富集,并将我们的发现与相似大小和连接密度的随机网络进行比较。我们的发现提供了有价值的见解,对这种有充分记录的生物的神经网络的组织,可以很容易地转移到其他物种和学科。
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引用次数: 0
Piezo-photothermal wave dynamics in an orthotropic hygrothermal semiconductor exposed to heat and moisture flux 正交各向异性湿热半导体暴露于热和湿通量下的压电光热波动力学
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-18 DOI: 10.1140/epjb/s10051-024-00852-8
Kh. Lotfy, Ibrahim S. Elshazly, Borhen Halouani, Saurav Sharma, Eslam S. Elidy

This study examines the interactions of piezoelectric, photothermal, and thermoelastic wave phenomena in orthotropic semiconductors subjected to thermal regulation via water. This study presents a model for coupling heat and moisture transport alongside photo-hydroelectricity. mechanical deformation induces the piezoelectric effect, initiating carrier density (plasma) waves by generating a polarization charge. At present, photothermal effects, caused by light absorption, facilitate the formation and propagation of plasma waves. The interplay of moisture and temperature under hygrothermal circumstances adds complexity to material behavior, affecting the formation and propagation of plasma waves. The normal mode technique produces analytical formulations for the transient response of temperature variation, moisture distribution, plasma, displacement, and stress components during continuous heat and moisture flow at the semiconductor surface. The research employs advanced mathematical techniques and computational simulations to demonstrate the influence of piezoelectricity, photothermal, and hygrothermal on primary physical field wave propagation. The numerical data is employed to graphically represent and calculate the hygrothermal fields and stress response in photo-hygrothermoelastic materials, including fluctuations in moisture content and time.

Graphical abstract

本研究考察了经水热调节的正交各向异性半导体中压电、光热和热弹性波现象的相互作用。本文提出了一个光-水电耦合热湿输运模型。机械变形引起压电效应,通过产生极化电荷引发载流子密度(等离子体)波。目前,光吸收引起的光热效应有利于等离子体波的形成和传播。在湿热环境下,水分和温度的相互作用增加了材料行为的复杂性,影响了等离子体波的形成和传播。在半导体表面连续的热量和水分流动过程中,正常模式技术产生了温度变化、水分分布、等离子体、位移和应力分量的瞬态响应的解析公式。该研究采用先进的数学技术和计算模拟来证明压电、光热和湿热对初级物理场波传播的影响。利用数值数据对光湿热弹性材料的湿热场和应力响应进行了图形化表示和计算,包括含水率波动和时间波动。图形抽象
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引用次数: 0
Investigations on structural, electronic, magnetic, and optical response of HfXO2 (X = Al/Ga/In) novel materials for optoelectronic applications HfXO2 (X = Al/Ga/In)新型光电子材料的结构、电子、磁性和光学响应研究
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-16 DOI: 10.1140/epjb/s10051-024-00856-4
M. Junaid Iqbal Khan, Asif Rasheed, Asifa Iqbal, Javed Ahmad, Zarfishan Kanwal, Imran Taj, Nauman Usmani, Masood Yousaf, Hamid Ullah

Current research enumerates a density functional theory (DFT) study of Al/Ga/In-doped HfO2 using the Wien2k code. Spin-polarized calculations illustrate the non-magnetic behavior of HfO2, whereas evidence of magnetism is found in Al-, Ga-, and In-doped HfO2. Al@HfO2 contains a higher magnetic moment of 3.13 ({mu }_{text{B}}), while the least value (2.58 ({mu }_{text{B}})) is noticed for In@HfO2 material. The prominent role of Al 3p-, Ga 3d-, and In 4d-states is observed around the Fermi level and helps in improving the electronic properties of proposed materials. Band gap of selected materials is reduced and shows material’s ability for good conduction. Absorption spectra of Al@HfO2 and Ga@HfO2 materials exhibit blueshift, but In@HfO2 shows redshift when compared with pure HfO2. These materials may have applications in future solar, optoelectronics, energy harvesting, and spintronic devices due to enhanced absorption and conductivity along with decreased reflectivity in the UV region.

Graphical abstract

目前的研究列举了使用Wien2k码对Al/Ga/ in掺杂的HfO2进行密度泛函理论(DFT)研究。自旋极化计算说明了HfO2的非磁性行为,而在Al, Ga和in掺杂的HfO2中发现了磁性的证据。Al@HfO2材料磁矩较大,为3.13 ({mu }_{text{B}}),而In@HfO2材料磁矩最小,为2.58 ({mu }_{text{B}})。在费米能级附近观察到Al 3p-, Ga 3d-和In 4d态的突出作用,有助于改善所提出材料的电子性能。所选材料的带隙减小,表明材料具有良好的导电性。与纯HfO2相比,Al@HfO2和Ga@HfO2材料的吸收光谱表现为蓝移,而In@HfO2材料的吸收光谱表现为红移。这些材料在未来的太阳能、光电子、能量收集和自旋电子器件中可能有应用,因为它们增强了吸收和导电性,同时降低了紫外线区的反射率。图形摘要
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引用次数: 0
Topological Bardeen–Cooper–Schrieffer theory of superconducting quantum rings 超导量子环的拓扑Bardeen-Cooper-Schrieffer理论
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-15 DOI: 10.1140/epjb/s10051-024-00851-9
Elena Landrò, Vladimir M. Fomin, Alessio Zaccone

Quantum rings have emerged as a playground for quantum mechanics and topological physics, with promising technological applications. Experimentally realizable quantum rings, albeit at the scale of a few nanometers, are 3D nanostructures. Surprisingly, no theories exist for the topology of the Fermi sea of quantum rings, and a microscopic theory of superconductivity in nanorings is also missing. In this paper, we remedy this situation by developing a mathematical model for the topology of the Fermi sea and Fermi surface, which features non-trivial hole pockets of electronic states forbidden by quantum confinement, as a function of the geometric parameters of the nanoring. The exactly solvable mathematical model features two topological transitions in the Fermi surface upon shrinking the nanoring size either, first, vertically (along its axis of revolution) and, then, in the plane orthogonal to it, or the other way round. These two topological transitions are reflected in a kink and in a characteristic discontinuity, respectively, in the electronic density of states (DOS) of the quantum ring, which is also computed. Also, closed-form expressions for the Fermi energy as a function of the geometric parameters of the ring are provided. These, along with the DOS, are then used to derive BCS equations for the superconducting critical temperature of nanorings as a function of the geometric parameters of the ring. The (T_c) varies non-monotonically with the dominant confinement size and exhibits a prominent maximum, whereas it is a monotonically increasing function of the other, non-dominant, length scale. For the special case of a perfect square toroid (where the two length scales coincide), the (T_c) increases monotonically with increasing the confinement size, and in this case, there is just one topological transition.

量子环已成为量子力学和拓扑物理学的研究领域,具有广阔的应用前景。实验上可实现的量子环,虽然在几纳米的尺度上,是三维纳米结构。令人惊讶的是,费米量子环海的拓扑结构没有理论存在,纳米环中超导的微观理论也缺失了。在本文中,我们通过建立费米海和费米面拓扑的数学模型来纠正这种情况,该模型以量子限制所禁止的电子态的非平凡空穴袋为特征,作为纳米环几何参数的函数。精确可解的数学模型在缩小纳米环尺寸时,在费米表面上有两个拓扑转变,首先是垂直的(沿着它的旋转轴),然后是在与它正交的平面上,或者相反。这两种拓扑跃迁分别反映在量子环的扭结和特征不连续中,并计算了量子环的电子态密度。同时,给出了费米能量作为环几何参数函数的封闭表达式。这些,连同DOS,然后被用来导出纳米环超导临界温度作为环几何参数函数的BCS方程。(T_c)随主导约束尺寸非单调变化,并表现出显著的最大值,而它是另一个非主导长度尺度的单调递增函数。对于完全平方环面的特殊情况(两个长度尺度重合),(T_c)随着约束尺寸的增加而单调增加,在这种情况下,只有一个拓扑跃迁。
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引用次数: 0
DFT + U study of chromium-doped europium oxide: insights into half-metallic behavior and stability 掺铬氧化铕的DFT + U研究:对半金属行为和稳定性的见解
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-15 DOI: 10.1140/epjb/s10051-024-00850-w
Khadidja Mokaddem, Djillali Bensaid, Bendouma Doumi, Allel Mokaddem, Kaddour Bencherif

The objective of this work is to apply density functional theory (DFT) with the inclusion of the Coulomb interaction (Hubbard U) to elements that possess d and f orbitals to explore the half-metallic properties of Europium oxide doped with Chromium. The formation energy recommends that these compounds (({text{Eu}}_{1-text{x}}{text{Cr}}_{text{x}}text{O})) are thermodynamically stable and our findings confirm that the introduction of Chromium (Cr) into the Europium Oxide (EuO) host matrix results in the emergence of a band gap in the minority spin channel, validating the half-metallic nature of our materials. Integer Bohr magneton values for total magnetizations confirm the half-metallic ferromagnetic behavior. The value of the half-metallic gap decreases when the concentration is increased. Remarkable results were observed on the EuO compound with the inclusion of Cr d content. The system undergoes a double-exchange mechanism which stabilizes ferromagnetic state. The estimated Curie temperature closely aligns with ambient conditions for concentrations of both 0.25 and 0.75, while reaching 169 K for a concentration of 0.5. These findings motivate further exploration into different concentrations and alternative dopant ions.

Graphical abstract

本工作的目的是将包含库仑相互作用(Hubbard U)的密度泛函理论(DFT)应用于具有d和f轨道的元素,以探索掺杂铬的氧化铕的半金属性质。形成能表明这些化合物(({text{Eu}}_{1-text{x}}{text{Cr}}_{text{x}}text{O}))是热力学稳定的,我们的研究结果证实,将铬(Cr)引入氧化铕(EuO)基质会导致在少数自旋通道中出现带隙,从而验证了我们材料的半金属性质。总磁化的整数玻尔磁子值证实了半金属铁磁行为。半金属间隙值随浓度的增加而减小。在含Cr - d的EuO化合物上观察到显著的结果。系统经历了双交换机制,稳定了铁磁状态。在0.25和0.75浓度下,估计的居里温度与环境条件非常接近,而在0.5浓度下达到169 K。这些发现激发了对不同浓度和替代掺杂离子的进一步探索。图形摘要
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引用次数: 0
Deciphering complexity: machine learning insights into the chaos 解读复杂性:机器学习洞察混沌
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-11 DOI: 10.1140/epjb/s10051-024-00840-y
Lazare Osmanov

We introduce new machine learning techniques for analyzing chaotic dynamical systems. The main goal of this study is to develop a simple method for calculating the Lyapunov exponent using only two trajectory data points, in contrast to traditional methods that require averaging procedures. Additionally, we explore phase transition graphs to analyze the shift from regular periodic to chaotic dynamics, focusing on identifying “almost integrable” trajectories where conserved quantities deviate from whole numbers. Furthermore, we identify “integrable regions” within chaotic trajectories. These methods are tested on two dynamical systems: “two objects moving on a rod” and the “Henon–Heiles” system.

我们介绍了新的机器学习技术来分析混沌动力系统。本研究的主要目标是开发一种简单的方法来计算李雅普诺夫指数,仅使用两个轨迹数据点,而不是传统的方法,需要平均程序。此外,我们探索相变图来分析从规则周期到混沌动力学的转变,重点是识别“几乎可积”的轨迹,其中守恒量偏离整数。此外,我们确定了混沌轨迹内的“可积区域”。这些方法在两个动力系统上进行了测试:“两个物体在一根杆上移动”和“Henon-Heiles”系统。
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引用次数: 0
Optimizing operational parameters for improved photocatalytic activity of hematite–rGO nanocomposites in methylene blue dye degradation 优化操作参数提高赤铁矿-氧化石墨烯纳米复合材料降解亚甲基蓝染料的光催化活性
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-10 DOI: 10.1140/epjb/s10051-024-00849-3
Anuradha, Arshdeep Singh, Raj Kumar Seth, Praveen Kumar, Sandeep Kumar

The α-Fe2O3/rGO nanocomposites with varying GO concentrations were successfully synthesized utilizing the co-precipitation method followed by annealing. FESEM investigation revealed that the nanocomposites were composed of quasi-spherical α-Fe2O3 nanoparticles with an average particle size of 32.77 nm which were distributed on the wrinkled rGO sheets. Further, the elemental mapping of FESEM confirms that carbon is the dominant component with 66.26 at.%. The nanocomposites were studied for degrading methylene blue dye under varying conditions like photocatalyst load, dye concentration, light intensity, and pH. The photocatalyst load of 0.4 g/L gives the best results at the dye concentration of 5.34 µM. On the other hand, as load and dye concentrations increased further, the nanocomposite’s photocatalytic activity reduced. The nanocomposites were also found to be effective in degrading MB dye molecules under high light intensity and alkaline pH. The impact of operational parameters on nanocomposite’s degrading efficiency was examined in depth by contrasting their deterioration rate constant values, which were derived from the Langmuir–Hinshelwood model. Additionally, a suitable mechanism has been mentioned to explain the outcomes of photocatalytic activity. The highest doped nanocomposite with 0.4 g/L load at 5.34 μM initial dye concentration, high light intensity, and pH 12 had the maximum degradation efficiency of 94%.

Graphical abstract

采用共沉淀法和退火法制备了不同氧化石墨烯浓度的α-Fe2O3/rGO纳米复合材料。FESEM研究表明,该复合材料由平均粒径为32.77 nm的准球形α-Fe2O3纳米颗粒组成,分布在皱褶状氧化石墨烯薄片上。此外,FESEM元素映射证实碳是主要成分,占66.26 at.%。研究了不同光催化剂负载、染料浓度、光强和ph条件下纳米复合材料对亚甲基蓝染料的降解效果。当光催化剂负载为0.4 g/L时,染料浓度为5.34µM时效果最好。另一方面,随着负载和染料浓度的进一步增加,纳米复合材料的光催化活性降低。在强光和碱性条件下,纳米复合材料也能有效降解MB染料分子。通过对比Langmuir-Hinshelwood模型得出的降解速率常数值,深入研究了操作参数对纳米复合材料降解效率的影响。此外,还提出了一种合适的机制来解释光催化活性的结果。当初始染料浓度为5.34 μM、高光强、pH为12时,掺杂量为0.4 g/L的纳米复合材料降解效率最高,达到94%。图形抽象
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引用次数: 0
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The European Physical Journal B
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