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Theory of two-band metallicity from correlation plus site-diagonal disorder in the CDW-Mott phase of 2H-TaSe(_2) 2H-TaSe CDW-Mott相的相关和位对角无序双带金属丰度理论(_2)
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-13 DOI: 10.1140/epjb/s10051-026-01135-0
L. Craco

Using dynamical mean-field theory (DMFT), we explore the many-particle properties of an extended two-band Hubbard model applicable to 2H-TaSe(_2) superconductor. We reveal the electronic reconstruction of the CDW-Mott state driven by site-diagonal disorder with distinct many-particle excitations. Our results offer new microscopic theory insights into the Mott–Anderson nature of charge carriers and the correlated metallic state which emerges from site-diagonal disorder within the CDW-Mott regime.

利用动态平均场理论(DMFT),我们探索了适用于2H-TaSe (_2)超导体的扩展双波段Hubbard模型的多粒子性质。我们揭示了CDW-Mott态在不同多粒子激励下的位对角无序驱动下的电子重构。我们的研究结果为研究载流子的Mott-Anderson性质和CDW-Mott体系中位对角线无序产生的相关金属态提供了新的微观理论见解。
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引用次数: 0
Asymmetric ferrimagnetic bilayers with intralayer exchange anisotropy: magnetocaloric and critical properties 具有层内交换各向异性的不对称铁磁双层:磁热学和临界性质
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-13 DOI: 10.1140/epjb/s10051-026-01142-1
G. Dimitri Ngantso, M. Karimou, A. Kadiri

We study the magnetic and magnetocaloric properties of an asymmetric ferrimagnetic bilayer composed of spin-1 and spin-1/2 Ising sublattices, including intralayer exchange anisotropies and an antiferromagnetic interlayer coupling. Using Monte Carlo simulations with the Metropolis algorithm, we incorporate anisotropic in-plane interactions, a Blume–Capel single-ion anisotropy acting on the spin-1 layer, and an external magnetic field. Critical temperatures are determined from Binder cumulants, while compensation temperatures are identified from sublattice magnetizations. The temperature derivative of the entropy and isothermal entropy change are evaluated to characterize the magnetocaloric response under weak fields. The results show that anisotropy in the spin-1 layer strongly tunes the compensation point, whereas anisotropy in the spin-1/2 layer mainly affects the stability of the ordered phase. Hysteresis loops exhibit several switching mechanisms, including multi-loop structures, driven by the interplay between anisotropy and interlayer coupling. These findings underline the crucial role of anisotropic exchange and Blume–Capel physics in tailoring magnetocaloric and coercive properties of ferrimagnetic bilayers.

Graphical abstract

本文研究了由自旋为1和自旋为1/2的Ising亚晶格组成的不对称铁磁双层的磁性和磁热学性质,包括层内交换各向异性和反铁磁层间耦合。利用蒙特卡罗模拟和Metropolis算法,我们考虑了平面内各向异性相互作用、blme - capel单离子各向异性作用于自旋-1层和外部磁场。临界温度由粘结剂累积量确定,而补偿温度由亚晶格磁化确定。利用熵的温度导数和等温熵变来表征弱磁场下的磁热响应。结果表明,自旋1层的各向异性对补偿点有很强的调节作用,而自旋1/2层的各向异性主要影响有序相的稳定性。在各向异性和层间耦合的相互作用下,磁滞回线表现出多种开关机制,包括多回路结构。这些发现强调了各向异性交换和Blume-Capel物理在调整铁磁双层的磁热和矫顽力性能方面的关键作用。图形抽象
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引用次数: 0
Nonequilibrium phase transitions in a racism-spreading model with interaction-driven dynamics 具有相互作用驱动动力学的种族主义扩散模型中的非平衡相变
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-11 DOI: 10.1140/epjb/s10051-026-01127-0
Nuno Crokidakis, Lucas Sigaud

Racism remains a persistent societal issue, increasingly amplified by the structure and dynamics of online social networks. In this work, we propose a three-state compartmental model to study the spreading and suppression of racist content, drawing from epidemic-like dynamics and interaction-driven transitions. We analyze the model on fully connected (homogeneous mixing) networks using a set of coupled differential equations, and on Barabási–Albert scale-free and Watts–Strogatz small-world networks through agent-based simulations. The system exhibits three distinct stationary regimes: two racism-free absorbing states and one active phase with persistent racist content. We identify and characterize the phase transitions between these regimes, discuss the role of network topology, and highlight the emergence of absorbing states. Our findings illustrate how statistical physics tools can help uncover the macroscopic consequences of microscopic social interactions in digital environments.

种族主义仍然是一个持续存在的社会问题,并因在线社交网络的结构和动态而日益放大。在这项工作中,我们提出了一个三状态分区模型来研究种族主义内容的传播和抑制,借鉴类似流行病的动态和互动驱动的过渡。我们使用一组耦合微分方程分析了全连接(均匀混合)网络上的模型,并通过基于智能体的模拟分析了Barabási-Albert无标度和Watts-Strogatz小世界网络上的模型。该系统表现出三个不同的稳定状态:两个无种族主义的吸收状态和一个具有持续种族主义内容的活跃阶段。我们识别和表征这些制度之间的相变,讨论网络拓扑的作用,并强调吸收态的出现。我们的发现说明了统计物理工具如何帮助揭示数字环境中微观社会互动的宏观后果。
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引用次数: 0
Indirect to direct bandgap transition in BAs through deep elastic uniaxial strain 通过深弹性单轴应变间接到直接的ba带隙跃迁
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-11 DOI: 10.1140/epjb/s10051-026-01151-0
Shuchao Zhang, Peng Gu, Sheng Ding, Bangzhao Wang, Junsen Gao, Lijian Chen, Yijian Ge, Shukuan Guo

This study systematically investigates the modulation of deep strain-induced indirect-to-direct bandgap transition in boron arsenide (BAs) using first-principles calculations. Uniaxial tensile and compressive strains are applied along [001], [110], and [111] directions to explore the electronic structure evolution. Results show that compressive strains along all three directions cause linear decreases in the bandgap until metallic transition, while tensile strains exhibit anisotropic behaviors. Notably, stretching along [111] direction triggers an indirect-to-direct bandgap transition at a critical strain of 0.12: the conduction band energy at (Gamma ) point decreases faster than that near X point, leading to the bottom of the conduction band shifting from X to (Gamma ) point. The density of states analysis confirms that the Fermi surface electrons are primarily contributed by B and As p-electrons, remaining unchanged during the bandgap transition. This work provides theoretical insights for strain-engineered optoelectronic applications of BAs.

本研究利用第一性原理计算系统地研究了砷化硼(BAs)中深应变诱导的间接到直接带隙跃迁的调制。沿[001],[110]和[111]方向施加单轴拉伸和压缩应变,以探索电子结构的演变。结果表明,三个方向的压缩应变均导致带隙线性减小,直至金属化转变,而拉伸应变表现出各向异性行为。值得注意的是,沿[111]方向的拉伸在0.12的临界应变下触发了间接到直接的带隙跃迁:(Gamma )点的导带能量比X点附近的导带能量下降得更快,导致导带底部从X点移动到(Gamma )点。态密度分析证实了费米表面电子主要由B和As p电子贡献,在带隙跃迁过程中保持不变。这项工作为BAs的应变工程光电子应用提供了理论见解。
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引用次数: 0
Self-sustained acoustoelectric oscillations in fluorine-doped carbon nanotubes under strong electric fields 强电场作用下掺氟碳纳米管的自持续声电振荡
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-11 DOI: 10.1140/epjb/s10051-026-01148-9
D. Sekyi-Arthur, K. W. Adu, K. A. Dompreh, E. Atioyire, S. Y. Mensah, B. Afoakwa

Herein, we report on self-sustaining acoustoelectric direct current oscillations in fluorine-doped single-walled carbon nanotubes stimulated by a strong internal electric field. The study is carried out in the hypersound regime, where carrier transport is confined to the lowest electronic miniband, leading to enhanced nonlinear and non-monotonic acoustoelectric current response. The carrier dynamics predicted by the model are consistent with experimentally observed oscillatory acoustoelectric current in a graphene-based acoustoelectric switch. The oscillatory behavior is shown to originate from spatial charge instabilities and field-induced Bloch-like carrier dynamics, occurring in the absence of an external resonator. The resulting non-uniform space-charge distribution, together with Bloch-reflected carrier motion, is identified as the dominant mechanism responsible for terahertz radiation generation. In addition, the dynamic interplay between acoustic phonons and charge carriers suggests the possibility of suppressing electric domain formation and realizing acoustic Bloch gain. These results demonstrate that fluorine-doped single-walled carbon nanotubes can operate efficiently at elevated temperatures and are promising candidates for high-frequency electronic and optoelectronic applications extending into the submillimeter-wave regime.

在此,我们报告了在强内电场刺激下氟掺杂单壁碳纳米管的自维持声电直流电振荡。该研究是在超声区进行的,其中载流子输运被限制在最低的电子小波段,导致非线性和非单调声电电流响应增强。该模型预测的载流子动力学与实验观察到的石墨烯基声电开关中的振荡声电电流一致。振荡行为源于空间电荷不稳定性和场诱导的布洛赫样载流子动力学,发生在没有外部谐振器的情况下。由此产生的不均匀空间电荷分布,以及布洛赫反射载流子运动,被认为是导致太赫兹辐射产生的主要机制。此外,声子与载流子之间的动态相互作用表明了抑制电畴形成和实现声学布洛赫增益的可能性。这些结果表明,氟掺杂的单壁碳纳米管可以在高温下有效地工作,并且是扩展到亚毫米波范围的高频电子和光电子应用的有希望的候选者。
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引用次数: 0
Temperature-dependent dielectric relaxation and Raman phonon correlation in melaminium glycolate hemihydrate 半水合乙醇酸三聚氰胺中介电弛豫和拉曼声子相关的温度依赖性
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-10 DOI: 10.1140/epjb/s10051-026-01145-y
S. Akshay Kalyan, K. Kamalakkannan, Mukesh Ranjan, N. Kanagathara

The dielectric and charge-transport properties of an organic single crystal, melaminium glycolate hemihydrate (MGHM), were systematically investigated using broadband dielectric, impedance, modulus, electronic polarizability, and confocal Raman spectroscopic techniques. Dielectric measurements were performed in the frequency range of 1 Hz to 20 MHz at temperatures between 293 to 373 K which reveals the dielectric constant (εr) and dielectric loss (tan δ) decrease with frequency, showing normal dielectric behaviour characteristics of dipolar relaxation. At higher temperatures (353 K and 373 K), a pronounced enhancement of εr at low frequencies accompanied by well-defined sharp dielectric loss peaks, indicates the strong space charge polarization and thermally activated relaxation. These features are consistent with Maxwell–Wagner interfacial polarization and enhanced electrical conduction at elevated temperatures. Impedance spectroscopic analysis carried out over the temperature range 293–373 K shows high impedance and distinct relaxation features at lower temperatures, arising from interfacial or defect-related contributions and electrode polarization effects. With increasing temperature, impedance decreases markedly due to thermally activated charge carriers, and the associated relaxation peaks shift toward higher frequencies. Nyquist plots confirm a transition in conduction mechanism from grain-boundary-dominated transport at lower temperatures to bulk-grain-dominated conduction at higher temperatures. At 373 K, the significantly reduced impedance indicates highly conductive behaviour. Modulus spectroscopy further supports thermally activated relaxation, with the real (M′) and imaginary (M″) components exhibiting relaxation peaks that systematically shift to higher frequencies with increasing temperature. Phase angle (Bode) plots show two distinct relaxation processes at lower temperatures (293–333 K), attributed to dipolar polarization and interfacial boundary effects, whereas a single broad relaxation dominates at higher temperatures (353–373 K), indicating conduction-controlled dynamics.. Electronic polarizability evaluated using Penn analysis, the Clausius–Mossotti relation, and the optical band-gap method demonstrates a clear temperature dependence, with polarizability decreasing initially and reaching a maximum at 373 K. Confocal Raman studies reveal temperature-induced enhancement in phonon intensities, indicating lattice relaxation. The emergence of second-order vibrational modes near ~ 2921 cm−1 signifies increased lattice ordering, while the temperature-dependent shift of the prominent triazine breathing mode around ~ 690 cm−1 correlates directly with thermally activated charge transport.

Graphical abstract

利用宽带介电、阻抗、模量、电子极化率和共聚焦拉曼光谱技术,系统地研究了半水合乙醇酸三聚氰胺(MGHM)有机单晶的介电和电荷输运性质。在1 Hz ~ 20 MHz频率范围内,温度在293 ~ 373 K范围内进行介电测量,发现介电常数εr和介电损耗tan δ随频率的增加而减小,表现出正常的偶极弛豫特性。在较高的温度下(353 K和373 K),低频εr显著增强,并伴有明显的尖锐的介电损耗峰,表明存在强的空间电荷极化和热激活弛豫。这些特征与麦克斯韦-瓦格纳界面极化和高温下电传导增强相一致。在293-373 K温度范围内进行的阻抗光谱分析显示,在较低温度下,界面或缺陷相关的贡献和电极极化效应引起了高阻抗和明显的弛豫特征。随着温度的升高,由于热活化的载流子,阻抗显著降低,相关的弛豫峰向更高的频率移动。奈奎斯特图证实了传导机制从低温下晶界主导的输运到高温下大块晶粒主导的传导的转变。在373 K时,显著降低的阻抗表明其具有高导电性。模量光谱进一步支持热激活弛豫,实(M′)和虚(M″)分量显示出弛豫峰,随着温度的升高系统地向更高的频率移动。相位角(Bode)图显示,在较低温度(293-333 K)下,由于偶极极化和界面边界效应,有两个不同的弛豫过程,而在较高温度(353-373 K)下,单一的宽弛豫占主导地位,表明电导控制动力学。利用Penn分析、Clausius-Mossotti关系和光学带隙方法评估的电子极化率显示出明显的温度依赖性,极化率开始下降,并在373 K时达到最大值。共聚焦拉曼研究揭示了温度诱导声子强度增强,表明晶格弛豫。在~ 2921 cm−1附近二阶振动模式的出现表明晶格有序度增加,而在~ 690 cm−1附近显著的三嗪呼吸模式的温度依赖位移与热激活电荷输运直接相关。图形抽象
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引用次数: 0
On the origins of charge transport in spin crossover complexes 自旋交叉配合物中电荷输运的起源
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-09 DOI: 10.1140/epjb/s10051-026-01146-x
Archit Dhingra, M. Zaid Zaz

Spin crossover (SCO) complexes are highly promising candidates for a myriad of potential applications in room-temperature electronics; however, as it stands, establishing a clear connection between their spin-state switching and transport properties has been far from trivial. In this perspective, an effort to unravel the underlying charge transport mechanism in these SCO complexes, via a general theory, is made. The theory presented herein is aimed at providing a unifying picture that explains the widely different trends observed in the spin-crossover-dependent carrier transport properties in the SCO molecular thin-film systems.

Graphical abstract

自旋交叉(SCO)配合物是非常有前途的候选者,在室温电子中有无数潜在的应用;然而,就目前而言,在它们的自旋态开关和输运特性之间建立一个明确的联系远非微不足道。从这个角度来看,通过一般理论,努力解开这些SCO配合物中潜在的电荷传输机制。本文提出的理论旨在提供一个统一的图景,解释SCO分子薄膜系统中自旋交叉依赖的载流子输运特性中观察到的广泛不同的趋势。图形抽象
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引用次数: 0
Assessment of magnetic response in graphene/Cr2Ge2Te6 van der Waals heterostructure for spintronics 自旋电子学中石墨烯/Cr2Ge2Te6范德华异质结构的磁响应评估
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-09 DOI: 10.1140/epjb/s10051-026-01140-3
Rahul Singla, Pankaj Kumar, Renu Singla, Sarvesh Kumar, Manish K. Kashyap, G. S. S. Saini

A comprehensive structural analysis of novel 2D-Cr2Ge2Te6 and its heterostructure with graphene was performed through density functional theory approach with GGA + U exchange correlation functionals. Our first-principles calculations indicate that pristine 2D-Cr2Ge2Te6 emerges out to be a semiconductor, whereas its heterostructure with graphene is metallic in nature. The combination of 2D-Cr2Ge2Te6 with graphene facilitates the manipulation of charge and spin, paving the way for novel applications in spintronics, valleytronics, and memory-based devices. The interplay between the magnetic order of Cr2Ge2Te6 and the high carrier mobility of graphene can inspire researchers working in this direction with an idea to enhance device performance, including improved spin injection and tuneable optoelectronic response.

Graphical abstract

利用GGA + U交换相关泛函的密度泛函方法,对新型2D-Cr2Ge2Te6及其与石墨烯的异质结构进行了全面的结构分析。我们的第一性原理计算表明,原始2D-Cr2Ge2Te6是半导体,而其与石墨烯的异质结构本质上是金属。2D-Cr2Ge2Te6与石墨烯的结合促进了电荷和自旋的操纵,为自旋电子学、谷电子学和基于存储的设备的新应用铺平了道路。Cr2Ge2Te6的磁序与石墨烯的高载流子迁移率之间的相互作用可以激励研究人员在这个方向上工作,以提高器件性能,包括改进自旋注入和可调谐光电响应。图形抽象
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引用次数: 0
Surface phononic polariton dispersion in vdW crystal forbidden band: a case of component-inverted sandwich nanolayered structures vdW晶体禁带中表面声子极化子色散:一种组件-倒三明治纳米层结构
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-08 DOI: 10.1140/epjb/s10051-026-01144-z
Li Zhang, Yinghua Chen, Guanghui Wang, Junjie Shi

Van der Waals (vdW) crystals, endowed with unique layered structure and anisotropic dielectric properties, support high-performance phonon polaritons (PhPs), attracting significant attention in the field of nano-optoelectronics. However, PhP frequency bands are strongly dependent on the frequencies of the characteristic optical phonons of the selected materials. Moreover, for a given vdW material, there exist forbidden bands for PhPs, which greatly limits application flexibility. Here, we propose the concept of phonon heterostructures to create a surface phonon polaritons (SPhPs) frequency band within the forbidden gap of vdW crystals, summarizing the existence conditions as well as the frequency and wavenumber ranges of PhPs. Using vdW hexagonal BN (h-BN) crystal as an example, we select three suitable semiconductors, namely cubic BN (c-BN), cubic SiC (c-SiC), and wurtzite AlN (w-AlN), to construct six component-inverted sandwich structures. The frequency bands, dispersion spectra, and group velocity characteristics of SPhPs in these structures are numerically investigated. Results demonstrate that all sandwich structures successfully open an SPhP frequency band within the forbidden gap of h-BN crystals. Furthermore, reversing the materials composing the heterostructures significantly modulates the dispersion spectra and group velocities of SPhPs. These findings provide a new strategy to create PhP bands within the forbidden gaps of vdW crystals and offer novel insights for tailoring their properties.

Graphical abstract

范德华晶体(vdW)具有独特的层状结构和各向异性介电特性,支持高性能声子极化子(PhPs),在纳米光电子学领域引起了广泛的关注。然而,PhP频带强烈依赖于所选材料的特征光学声子的频率。此外,对于给定的vdW材料,存在php禁带,这极大地限制了应用的灵活性。本文提出声子异质结构的概念,在vdW晶体禁隙内形成表面声子极化子(SPhPs)频带,总结了表面声子极化子的存在条件、频率和波数范围。以vdW六方BN (h-BN)晶体为例,选择三种合适的半导体,即立方BN (c-BN)、立方SiC (c-SiC)和纤锌矿AlN (w-AlN),构建六组分倒夹芯结构。对这些结构中sphp的频带、色散谱和群速度特性进行了数值研究。结果表明,所有夹层结构都成功地在h-BN晶体的禁隙内打开了SPhP频段。此外,反转构成异质结构的材料可以显著调节spps的色散光谱和基团速度。这些发现为在vdW晶体的禁止间隙内创建PhP带提供了一种新的策略,并为定制其特性提供了新的见解。图形抽象
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引用次数: 0
Structural and field-induced control of optical properties in a novel exponentially bounded cosine quantum well 新型指数有界余弦量子阱中光学特性的结构和场致控制
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2026-03-04 DOI: 10.1140/epjb/s10051-026-01139-w
A. T. Tuzemen, E. B. AL, H. Dakhlaoui, F. Ungan

In this study, we examine the effects of external static electric and magnetic fields, as well as structural parameters (barrier height and base width), on the total optical absorption coefficients and relative refractive index changes in an exponentially bounded cosine quantum well heterostructure. Using the effective mass approximation and a parabolic conduction band, by applying the diagonalization method to the time-independent Schrödinger equation, both the subband energy levels and wave functions are determined. Optical coefficients are then calculated using analytical expressions from the compact density matrix formalism. Results show that increasing electric and magnetic field strengths leads to a blue shift in the resonance peaks of both optical absorption and refractive index change. Furthermore, higher potential barriers cause a blue shift, while wider barrier bases result in a red shift. These findings highlight the tunability of optical properties through external fields and structural design, offering potential for advanced optoelectronic applications.

Graphic abstract

在这项研究中,我们研究了外部静电和磁场以及结构参数(势垒高度和基宽)对指数有界余弦量子阱异质结构的总光吸收系数和相对折射率变化的影响。利用有效质量近似和抛物线传导带,对时间无关的Schrödinger方程应用对角化方法,确定了子带能级和波函数。然后利用紧密度矩阵的解析表达式计算光学系数。结果表明,电场和磁场强度的增加会导致光吸收和折射率变化的共振峰发生蓝移。此外,更高的势垒导致蓝移,而更宽的势垒基导致红移。这些发现强调了通过外部场和结构设计的光学特性的可调性,为先进的光电应用提供了潜力。图形抽象
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引用次数: 0
期刊
The European Physical Journal B
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