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Study of Physical Aspects of Double Perovskite Halides K2TlAlX6 (X = Cl/Br/I) for Solar Cells, and Other Green Energy Technologies 双钙钛矿卤化物K2TlAlX6 (X = Cl/Br/I)在太阳能电池和其他绿色能源技术中的物理特性研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-25 DOI: 10.1007/s13538-025-01914-7
Murefah mana Al-Anazy, Ahmad Ayyaz, Omar Zayed, Tariq M. Al-Daraghmeh,  Rameesha, S. Bouzgarrou, Q. Mahmood, Imed Boukhris, Mohd Taukeer Khan, M. S. Al-Buriahi

Double perovskite halides exhibit remarkable properties that make them highly promising for applications in green energy technologies, such as solar energy harvesting and thermoelectric systems. This study comprehensively investigates the structural, mechanical, optoelectronic, and thermoelectric (TE) properties of K2TlAlX6 (where X = Cl, Br, I). The tolerance and octahedral factors have been evaluated to assess the stability of the cubic phase. At the same time, the formation energy has been computed to determine the thermodynamic stability of these perovskite materials. The elastic constants and modulus values have been calculated to evaluate the mechanical stability and hardness of the materials. The halides under study display ductile and anisotropic characteristics, indicating their potential for use in the fabrication of foldable technologies. Band structures and density of states show band gaps of 1.58 eV, 1.30 eV, and 0.87 eV for Cl, Br, and I ions-based double perovskites. The tuning of band gaps makes them applicable for diverse optical applications from solar cells to infrared sensors. The main electron transitions and recombination exist among the p states of halide ions and Al-p states. These materials demonstrate significant absorbance with minimal energy loss in the visible spectrum. The thermoelectric aspects show their large figure of merit (0.80, 0.77, 0.71) at room temperature. Therefore, the findings of this study present various advantages of these perovskites in harvesting light energy and TE applications.

双钙钛矿卤化物表现出非凡的性能,使它们在绿色能源技术(如太阳能收集和热电系统)中的应用具有很大的前景。本研究全面研究了K2TlAlX6(其中X = Cl, Br, I)的结构、机械、光电和热电(TE)性能。对容差因子和八面体因子进行了评价,以评价立方相的稳定性。同时,通过计算生成能来确定这些钙钛矿材料的热力学稳定性。通过计算弹性常数和弹性模量来评价材料的力学稳定性和硬度。所研究的卤化物具有延展性和各向异性,表明它们在可折叠技术制造中的潜力。Cl、Br和I离子基双钙钛矿的能带结构和态密度分别为1.58 eV、1.30 eV和0.87 eV。带隙的调谐使它们适用于从太阳能电池到红外传感器的各种光学应用。主要的电子跃迁和复合发生在卤化物离子的p态和Al-p态之间。这些材料在可见光谱中具有显著的吸光度和最小的能量损失。热电方面在室温下表现出较大的优值(0.80,0.77,0.71)。因此,本研究的发现展示了这些钙钛矿在收集光能和TE应用方面的各种优势。
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引用次数: 0
Molecular Ink Spray-Coated Cu2CoSnS4 Thin Films as Non-Toxic, Sulfurization-Free absorbers for Solar Cells 分子油墨喷涂Cu2CoSnS4薄膜作为太阳能电池无毒无硫吸收剂
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-25 DOI: 10.1007/s13538-025-01918-3
Souad Medina, Asma Nezzari, M’hamed Guezzoul, Mariuca Gartner, Jose Maria Calderon Moreno, Silviu Preda, Atika Guendouz, Septimiu Tripon, Kouider Driss-khodja, Abdelkader Nebatti Ech-Chergui, Bouhalouane Amrani

We fabricated Cu₂CoSnS₄ (CCTS) thin films using spray-coating with a dimethylformamide-based molecular ink, deposited at 100 °C and 140 °C, and annealed at 360 °C in air. X-ray diffraction and Raman spectroscopy confirmed the stannite structure, with improved crystallinity and fewer impurities at 140 °C. The films show promise as non-toxic, sulfurization-free absorber layers for solar cells, with tunable optical and electrical properties. X-ray photoelectron spectroscopy (XPS) revealed temperature-dependent shifts in chemical composition and oxidation states. These shifts indicate altered stoichiometry at higher temperatures. Morphological analyses through SEM and AFM showed increased grain size, improved uniformity, and enhanced surface roughness with higher deposition temperatures. Energy-dispersive X-ray (EDX) mapping confirmed uniform elemental distribution, with deviations from ideal stoichiometry observed at 140 °C. Optical studies indicated a reduction in the band gap from 2.06 eV at 100 °C to 1.64 eV at 140 °C. The electrical measurements via Hall Effect show that all films exhibit a transition from p-type conductivity at 100 °C (carrier concentration of 1.057 × 101⁰ cm⁻3, mobility of 32.85 cm2/V.s, and resistivity of 8.994 × 102 Ω.cm) to n-type conductivity at 140 °C (carrier concentration of -2.486 × 10⁶ cm⁻3, mobility of 80.26 cm2/V.s, and resistivity of 3.098 × 104 Ω.cm).These findings highlight the promise of CCTS films as environmentally friendly, sulfurization-free absorber layers for thin-film solar cells and optoelectronic applications, emphasizing the crucial role of deposition optimization in achieving enhanced material properties.

采用二甲基甲酰胺基分子油墨喷涂制备cu₂CoSnS₄(CCTS)薄膜,分别在100°C和140°C下沉积,并在360°C空气中退火。x射线衍射和拉曼光谱证实了锡酸盐的结构,在140°C时结晶度提高,杂质减少。这种薄膜有望成为无毒、无硫化的太阳能电池吸收层,具有可调的光学和电学性能。x射线光电子能谱(XPS)揭示了化学成分和氧化态的温度依赖变化。这些变化表明在较高温度下化学计量变化。通过扫描电镜和原子力显微镜进行的形貌分析表明,随着沉积温度的升高,晶粒尺寸增大,均匀性改善,表面粗糙度增强。能量色散x射线(EDX)作图证实了均匀的元素分布,在140°C时观察到与理想化学计量的偏差。光学研究表明,带隙从100℃时的2.06 eV减小到140℃时的1.64 eV。通过霍尔效应进行的电学测量表明,所有薄膜在100°C时都表现出p型电导率的转变(载流子浓度1.057 × 101⁰cm⁻3,迁移率32.85 cm2/V)。在140°C时(载流子浓度为-2.486 × 10⁶cm - 3,迁移率为80.26 cm2/V),电阻率为8.994 × 102 Ω.cm。S,电阻率3.098 × 104 Ω.cm)。这些发现突出了CCTS薄膜作为环境友好、无硫化的薄膜太阳能电池和光电子应用吸收层的前景,强调了沉积优化在实现增强材料性能方面的关键作用。
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引用次数: 0
Experimental and DFT Investigation of Structural, Morphological, and Optical Properties of Sol–Gel-Derived Pseudobrookite-Type Sm0.5Sr0.5Fe2O5 溶胶-凝胶衍生假板岩型Sm0.5Sr0.5Fe2O5结构、形态和光学性质的实验和DFT研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-22 DOI: 10.1007/s13538-025-01915-6
Abdullah Saad Alsubaie, Ghada Raddaoui, Karim Souifi, Elyor Berdimurodov, Khasan Berdimuradov

A highly crystalline pseudobrookite-type oxide of Sm0.5Sr0.5Fe2O5 compound was successfully prepared via the sol–gel method. Structural characterization using X-ray diffraction (XRD) confirmed that the compound crystallizes in an orthorhombic lattice, corresponding to the Pnma space group. Scanning electron microscopy (SEM) revealed that the particles show the uniform morphology, with an average size of around 0.225 µm. The optical behavior of this polycrystalline material was examined through UV–Vis absorption spectroscopy. Analysis of the absorption and reflectance spectra revealed an indirect optical band gap ranging from 1.474 to 2.5 eV, confirming its nature as an indirect-gap semiconductor. Key optical parameters, including the Urbach energy, extinction coefficient, and refractive index, were derived. The refractive index was observed to follow the Cauchy relation in the spectral region corresponding to maximum absorption. Moreover, the dispersion parameters E0 and Ed were evaluated using the Wemple–DiDomenico model. Dielectric measurements further indicated a very low dissipation factor (tan δ), highlighting the material’s minimal energy loss. In this work, a comprehensive theoretical analysis was conducted to complement the experimental observations. Using advanced computational methods, the electronic structure, density of states, and optical properties of the material were examined in detail. The results reveal a metallic behavior with pronounced Fe–O orbital hybridization. Optical characterization indicates strong absorption in the UV–Vis range, accompanied by notable dielectric and conductivity responses. These features highlight Sm0.5Sr0.5Fe2O5 as a promising material for high-frequency electronics, optoelectronic devices, and spintronic applications.

采用溶胶-凝胶法制备了Sm0.5Sr0.5Fe2O5复合材料的高结晶假蓝铜矿型氧化物。利用x射线衍射(XRD)进行结构表征,证实该化合物在正交晶格中结晶,对应于Pnma空间群。扫描电镜(SEM)显示,颗粒形貌均匀,平均尺寸约为0.225µm。用紫外-可见吸收光谱法研究了该多晶材料的光学性能。吸收光谱和反射光谱分析显示其间接带隙在1.474 ~ 2.5 eV之间,证实了其间接带隙半导体的性质。推导了关键光学参数,包括厄巴赫能量、消光系数和折射率。观察到折射率在最大吸收对应的光谱区域遵循柯西关系。此外,利用Wemple-DiDomenico模型对色散参数E0和Ed进行了评估。介电测量进一步表明耗散系数(tan δ)非常低,突出了材料的最小能量损失。在这项工作中,进行了全面的理论分析,以补充实验观察。利用先进的计算方法,对材料的电子结构、态密度和光学性质进行了详细的研究。结果显示具有明显的Fe-O轨道杂化的金属行为。光学表征表明在UV-Vis范围内有很强的吸收,伴随着显著的介电和电导率响应。这些特点突出了Sm0.5Sr0.5Fe2O5作为高频电子,光电子器件和自旋电子应用的有前途的材料。
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引用次数: 0
Strong Gravitational Lensing and Shadow of the Kalb-Ramond Black Hole in Homogeneous and Inhomogeneous Plasma 均匀与非均匀等离子体中的强引力透镜与黑洞阴影
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-22 DOI: 10.1007/s13538-025-01921-8
Rukkiyya V. P, Sini R

In this study, we investigate the strong gravitational lensing and shadow properties of a Kalb-Ramond black hole characterized by the Lorentz parameter l, in the presence of both homogeneous and inhomogeneous plasma distributions. Starting from the equation of motion of the plasma, we derive an analytical expression for the strong deflection angle. Our results show that the radius of the photon sphere, strong field parameters, and strong deflection angle are significantly affected by the presence of the plasma. Numerical calculations were performed to compute the lensing observables, angular image position, angular image separation, and flux ratio between the outermost and remaining images for the supermassive black hole SgrA(^*), which is believed to be the supermassive black hole at the center of our galaxy, in the presence of plasma. Furthermore, we studied the impact of plasma on the shadow radius of the Kalb-Ramond black hole. The study concludes that both the Lorentz parameter and the plasma medium substantially affect the strong gravitational lensing and shadow properties, with the effects being more pronounced in the case of homogeneous plasma.

在本研究中,我们研究了在均匀和非均匀等离子体分布下,以洛伦兹参数l为特征的卡尔布-拉蒙黑洞的强引力透镜效应和阴影特性。从等离子体的运动方程出发,导出了强偏转角的解析表达式。结果表明,等离子体的存在对光子球半径、强场参数和强偏转角有显著影响。对超大质量黑洞SgrA (^*)(被认为是银河系中心的超大质量黑洞)在等离子体存在下的透镜观测值、角图像位置、角图像分离以及最外层和剩余图像之间的通量比进行了数值计算。此外,我们还研究了等离子体对Kalb-Ramond黑洞阴影半径的影响。研究得出结论:洛伦兹参数和等离子体介质对强引力透镜和阴影特性都有很大的影响,在均匀等离子体的情况下影响更为明显。
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引用次数: 0
Effect of Radial Electron Diffusion on Gas Breakdown Induced by Focused Terahertz Beam 径向电子扩散对聚焦太赫兹光束诱导气体击穿的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-21 DOI: 10.1007/s13538-025-01926-3
Panpan Shu, Pengcheng Zhao

Gas breakdown induced by focused terahertz beams exhibits novel characteristics and bright application prospects, making research in this field of great significance. In this paper, numerical simulations of argon gas breakdown induced by a focused terahertz beam are carried out using a plasma fluid model. In this model, rate coefficients such as ionization rate are determined via the Boltzmann equation solver BOLSIG+. An effective electron diffusion coefficient is employed to describe the transition process from free diffusion to ambipolar diffusion. The fluid model under axisymmetric conditions is solved using the finite difference method. Simulation results show that the ionization rate derived from BOLSIG+ is in good agreement with the results of the particle-in-cell-Monte Carlo collision model. At the same mean electron energy, the ratio of ionization rate to gas density varies with pressure. When the peak electric field of the focused beam reaches the breakdown threshold of long pulses, radial electron diffusion still exerts an influence on the breakdown process, even under conditions of high gas pressure and uniform distribution of seed electrons. This is because the 1/e spot radius of the focused beam is small (on the order of millimeters), and the plasma density generated by ionization has a large gradient. As the pressure decreases, the influence of radial electron diffusion on the breakdown process becomes more significant. The accuracy of the fluid model is verified by comparing the simulated values of the breakdown threshold of the focused beam with the experimental results.

聚焦太赫兹光束引起的气体击穿具有新颖的特性和广阔的应用前景,对该领域的研究具有重要意义。本文采用等离子体流体模型对聚焦太赫兹光束引起的氩气击穿进行了数值模拟。在该模型中,电离率等速率系数通过玻尔兹曼方程求解器BOLSIG+确定。采用有效的电子扩散系数来描述从自由扩散到双极性扩散的过渡过程。采用有限差分法求解轴对称条件下的流体模型。仿真结果表明,BOLSIG+得到的电离速率与粒子-胞内蒙特卡洛碰撞模型的结果吻合较好。在相同的平均电子能量下,电离率与气体密度之比随压力的变化而变化。当聚焦光束的峰值电场达到长脉冲击穿阈值时,即使在高压和种子电子均匀分布的条件下,径向电子扩散仍然对击穿过程产生影响。这是因为聚焦光束的1/e光斑半径很小(在毫米数量级),而电离产生的等离子体密度有很大的梯度。随着压力的减小,径向电子扩散对击穿过程的影响更加显著。通过将聚焦光束击穿阈值的模拟值与实验结果进行比较,验证了流体模型的准确性。
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引用次数: 0
Quantum Interferometric Power Versus Local Quantum Uncertainty in Bell Coherent States Under Amplitude Damping 振幅阻尼下贝尔相干态的量子干涉功率与局域量子不确定性
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-21 DOI: 10.1007/s13538-025-01928-1
H. Saidi, M. El Kirdi, A. Slaoui, H. El Hadfi, R. Ahl Laamara

Non-classical correlations, quantified by uncertainty measures such as Local Quantum Uncertainty (LQU) and Quantum Interferometric Power (QIP), are vital resources in quantum information, existing even in non-entangled mixed states. This study investigates the quantum correlations of Bell cat states under amplitude damping, employing LQU and QIP as quantifiers. This work investigates the dynamics of these correlations in two-mode Bell cat states under the influence of amplitude damping noise. We derive analytic expressions for both LQU and QIP for these states, which are constructed from Glauber coherent states. Furthermore, the study explores the potential of these correlations for enhancing phase estimation precision in quantum metrology. We also analyze the resilience of non-classical correlations, quantified by LQU, in Bell cat states subject to phase damping, depolarizing, and phase reversal channels. Our results provide crucial insights into the robustness and utility of these correlations, highlighting their significance for quantum information processing and communication.

局部量子不确定性(LQU)和量子干涉功率(QIP)等不确定性度量量化的非经典相关性是量子信息中的重要资源,即使在非纠缠混合态中也存在。本文采用LQU和QIP作为量词,研究了振幅阻尼下Bell cat态的量子相关性。本文研究了振幅阻尼噪声影响下双模贝尔猫状态下这些相关性的动态变化。我们导出了这些状态的LQU和QIP的解析表达式,它们是由Glauber相干态构造的。此外,该研究还探讨了这些相关性在量子计量中提高相位估计精度的潜力。我们还分析了受相位阻尼、去极化和相位反转通道影响的Bell cat状态下,由LQU量化的非经典相关的弹性。我们的研究结果为这些相关性的鲁棒性和实用性提供了重要的见解,突出了它们对量子信息处理和通信的重要性。
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引用次数: 0
Lie Groups for Quantum Complexity and Barren Plateau Theory 量子复杂性的李群与贫瘠高原理论
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-20 DOI: 10.1007/s13538-025-01923-6
P. A. S. de Alcântara, Gabriel Audi, Leandro Morais

Advances in quantum computing over the last two decades have required sophisticated mathematical frameworks to deepen the understanding of quantum algorithms. In this review, we introduce the theory of Lie groups and their algebras to analyze two fundamental problems in quantum computing as done in some recent works, e.g., Nielsen (Quantum Inf. Comput. 6(3), 213–262 2006) and Cerezo et al. (Nat. Rev. Phys. 3(9), 625–644 2021). Firstly, we describe the geometric formulation of quantum computational complexity, given by the length of the shortest path on the (SU(2^n)) manifold with respect to a right-invariant Finsler metric. Secondly, we deal with the barren plateau phenomenon in variational quantum algorithms (VQAs), where we use the dynamical Lie algebra (DLA) to identify algebraic sources of untrainability.

在过去的二十年里,量子计算的进步需要复杂的数学框架来加深对量子算法的理解。在这篇综述中,我们引入李群及其代数理论来分析量子计算中的两个基本问题,如最近的一些作品,例如Nielsen (quantum Inf. computer . 6(3), 213-262 2006)和Cerezo等人(Nat. Rev. Phys. 3(9), 625-644 2021)。首先,我们描述了量子计算复杂性的几何公式,由(SU(2^n))流形上相对于右不变Finsler度量的最短路径长度给出。其次,我们处理了变分量子算法(VQAs)中的贫瘠高原现象,其中我们使用动态李代数(DLA)来识别不可训练性的代数源。
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引用次数: 0
The Fast Mode-Fourier-Transform and the Bands of Interacting Systems 相互作用系统的快速模式傅里叶变换与波段
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-20 DOI: 10.1007/s13538-025-01925-4
Jose Reslen

A many-body Fourier transformation with logarithmic scaling in the number of necessary two-site gates is implemented. The protocol is applied to study the Bethe chain as a prototype of a translationally invariant system. The resulting energy diagram features flat bands and a homogeneous gap that closely matches the interaction constant. The introduced protocol can be applied to a wide spectrum of scenarios and provides a tool to obtain many-body band diagrams of interacting systems.

实现了一种多体傅立叶变换,该变换对必要的双点门的数量进行了对数缩放。应用该协议研究了作为平移不变系统原型的Bethe链。得到的能量图具有平坦的能带和均匀的间隙,与相互作用常数密切匹配。所引入的协议可以应用于广泛的场景,并提供了一种获取交互系统的多体带图的工具。
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引用次数: 0
Design and Analysis of a Photonic Crystal Nanocavity Biosensor for Glucose Measurement 用于葡萄糖测量的光子晶体纳米腔生物传感器的设计与分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-18 DOI: 10.1007/s13538-025-01919-2
Shivesh Kumar, Mrinal Sen

This article presents a biosensor based on a two-dimensional rod-in-air photonic crystal slab with a hexagonal lattice, specifically designed for glucose detection in both urine and blood samples. The photonic band structure is studied using the plane-wave expansion (PWE) method, while sensing parameters are analyzed using the finite-difference time-domain (FDTD) method. To enhance device performance, the nanocavity width and radii of silicon rods above the w1 waveguide are optimized. The design provides a wide bandgap and strong optical confinement within the cavity, ensuring high sensitivity to refractive-index variations. The 2D and 3D configurations of the structure are investigated. The sensor demonstrates a noticeable frequency shift and significant variation in transmitted output power in response to minute refractive-index variations. Simulation results confirm high performance, achieving a maximum sensitivity of 850 nm/ RIU, a high quality factor of 1.8956(times )10(^textrm{4}), a low detection limit of 1.115(times )10(^{-5}) RIU, and a high figure of merit of (approx 8968) (textrm{RIU}^{-1}). Moreover, the device operates reliably over a wide temperature range (0–80 °C), and the effect of fabrication tolerances on performance is thoroughly analyzed. With its compact footprint of (approx 100) (mu m^2) and excellent sensing characteristics, the proposed sensor is a strong candidate for integration into on-chip photonic circuits.

本文介绍了一种基于六边形晶格的二维空气棒光子晶体板的生物传感器,专门用于尿液和血液样本中的葡萄糖检测。利用平面波展开(PWE)方法研究了光子带结构,利用时域有限差分(FDTD)方法分析了传感参数。为了提高器件性能,优化了w1波导上方硅棒的纳米腔宽度和半径。该设计提供了宽的带隙和腔内强光学约束,确保对折射率变化的高灵敏度。研究了该结构的二维和三维构型。该传感器表现出明显的频移和显著变化的传输输出功率,以响应微小的折射率变化。仿真结果证实了该方法的高性能,最大灵敏度为850 nm/ RIU,高品质因子为1.8956 (times ) 10 (^textrm{4}),低检测限为1.115 (times ) 10 (^{-5}) RIU,高品质系数为(approx 8968)(textrm{RIU}^{-1})。此外,该器件在宽温度范围(0-80°C)内可靠地工作,并彻底分析了制造公差对性能的影响。由于其紧凑的足迹(approx 100)(mu m^2)和优异的传感特性,所提出的传感器是集成到片上光子电路的强有力的候选者。
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引用次数: 0
Impact of Relativistic Temperature on the Catastrophic Loss of Equilibrium in Astrophysical Relativistic Hot Plasma 相对论性温度对天体物理相对论性热等离子体灾难性失去平衡的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-10-15 DOI: 10.1007/s13538-025-01922-7
Nisar Ahmad, Usman Shazad, A. Shuaib, Guang-Rui Yao, Xiaojie Li, Yan-Fang Ji

In this study, the impact of relativistic temperature on the catastrophic loss of the double Beltrami equilibrium state in a relativistic hot electron-ion plasma is explored. In the accretion disks of black holes, this particular type of plasma can be found. A set of algebraic equations relating the amplitudes and eigenvalues of the DB equilibrium to the relativistic temperature, magnetofluid energy, magnetic helicity, and generalized helicity are used to analyze and predict catastrophic transformations. The study demonstrates that the values of critical energy and macroscale structure are significantly impacted by relativistic temperature. It is also shown that due to the catastrophic loss of equilibrium, magnetic energy transforms to kinetic energy. The current study also highlights the potential ramifications for the accreting disks of black holes.

在本研究中,探讨了相对论性温度对相对论性热电子-离子等离子体中双贝尔特拉米平衡态灾难性损失的影响。在黑洞的吸积盘中,可以发现这种特殊类型的等离子体。利用DB平衡的幅值和特征值与相对论性温度、磁流体能量、磁螺旋度和广义螺旋度之间的代数方程来分析和预测突变。研究表明,相对论温度对临界能量和宏观结构的值有显著影响。还表明,由于平衡的灾难性丧失,磁能转化为动能。目前的研究还强调了黑洞吸积盘的潜在影响。
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引用次数: 0
期刊
Brazilian Journal of Physics
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