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Raman spectroscopic study on solute–solvent interactions in saturated 2,2’-bipyridine and benzene solution 饱和2,2 ' -联吡啶和苯溶液中溶溶剂相互作用的拉曼光谱研究
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-26 DOI: 10.1140/epjb/s10051-025-01027-9
Hongying Mei, Shibo Du, Shuxiang Sun, Xinyan Zheng, Huali Hao, Juan Xiong, Hua Wen

Raman scattering measurements are performed on the pure benzene (B), 2,2’-bipyridine (BD), and the saturated BD-B solution at 295 and 80 K to investigate the solute–solvent interaction on the vibrational properties. The spectrum of the BD-B shows almost a simply addition of the individual spectra of BD and B, suggesting no strong interaction among BD and B molecules. At low temperature, the solution crystallizes and its spectrum shows obvious changes including the inter- and intramolecular modes, especially the modes associated with the lattice vibrations, C–H in-plane bending, C–C interring stretching, and high-frequency C–H stretching. Our work contributes to understand the interaction between organic solute and solvent.

对纯苯(B)、2,2′-联吡啶(BD)和饱和苯-联吡啶溶液在295和80 K下进行拉曼散射测试,研究了溶质-溶剂相互作用对其振动特性的影响。BD-B的光谱几乎是BD和B各自光谱的简单相加,表明BD和B分子之间不存在强相互作用。在低温下,溶液结晶,其光谱表现出明显的变化,包括分子间模式和分子内模式,特别是与晶格振动、C-H面内弯曲、C-C间拉伸和高频C-H拉伸相关的模式。我们的工作有助于理解有机溶质和溶剂之间的相互作用。
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引用次数: 0
A comparative review of recent results on supercritical anomalies in two-dimensional kinetic Ising and Blume–Capel ferromagnets 二维动力学Ising和Blume-Capel铁磁体超临界异常最新研究结果的比较综述
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-23 DOI: 10.1140/epjb/s10051-025-01018-w
Gloria M. Buendía, Celeste Mendes, Per Arne Rikvold

Following the unexpected experimental discovery of “sideband” peaks in the fluctuation spectrum of thin Co films driven by a slowly oscillating magnetic field with a constant bias (Riego et al. in Phys Rev Lett 118:117202, 2017), numerical studies of two-state Ising and three-state Blume–Capel (BC) ferromagnets in this dynamically supercritical regime have flourished and been successful in explaining this phenomenon. Here, we give a comparative review of this new literature and its connections to earlier work. Following an introduction and a presentation of the two models and the computational method used in many of these studies, we present numerical results for both models. Particular attention is paid to the fact that zero spins in the BC model tend to collect at the interfaces between regions of the two nonzero spin values, ± 1. We present strong arguments that this phenomenon leads to a reduction of the effective interface tension in the BC model, compared to the Ising model.

在实验中意外发现由恒定偏置的缓慢振荡磁场驱动的Co薄膜波动谱中的“边带”峰(Riego et al. in Phys Rev Lett 118:117202, 2017)之后,在这种动态超临界状态下对两态Ising和三态Blume-Capel (BC)铁磁体的数值研究蓬勃发展,并成功地解释了这一现象。在这里,我们对这一新文献及其与早期工作的联系进行了比较回顾。在介绍和介绍了这两种模型和许多研究中使用的计算方法之后,我们给出了这两种模型的数值结果。特别值得注意的是,在BC模型中,零自旋倾向于在两个非零自旋值±1的区域之间的界面处聚集。我们提出了强有力的论据,与Ising模型相比,这种现象导致BC模型中有效界面张力的降低。
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引用次数: 0
Insight into the optoelectronic and thermochemical properties of LiXY2 (X = Ga, Ti; Y = S, Se, Te): a DFT study LiXY2 (X = Ga, Ti; Y = S, Se, Te)的光电和热化学性质:DFT研究
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-20 DOI: 10.1140/epjb/s10051-025-01022-0
Saloni Saloni, Prabhat Ranjan, Tanmoy Chakraborty

Structure, optoelectronic, and thermochemical characteristics of Li-based chalcopyrite materials LiXY2 (X = Ga, Ti; Y = S, Se, Te) are studied using DFT approach. Geometry optimization and modeling of LiXY2 are performed using several functionals like B3LYP/LANL2DZ, B3LYP/SDD, B3LYP/DEF2TZVP, CAM-B3LYP/LANL2DZ, CAM-B3LYP/SDD, CAM-B3LYP/DEF2TZVP, APFD/LANL2DZ, APFD/SDD, and APFD/DEF2TZVP within DFT framework and made a comparative analysis. It is found that functional B3LYP/DEF2TZVP provides the most suitable result. Using B3LYP/DEF2TZVP, the HOMO–LUMO gaps of LiGaS2, LiGaSe2 and LiGaTe2 are determined as 3.34, 3.08, and 2.72 eV, respectively, whereas for LiTiS2, LiTiSe2, and LiTiTe2, it is found as 2.71, 2.77, and 1.79 eV correspondingly, signifying their possible uses in optoelectronic devices and solar cells. It also specifies that the replacement of Ga with Ti in the host materials helps in the reduction of the energy gap, which exhibits its better absorption ability. The vertical ionization potential (VIP) as well as vertical electron affinity (VEA) of LiTiY2 are found lesser in magnitude in comparison with LiGaY2. LiTiTe2 exhibits the lowest VIP, whereas LiGaTe2 displays the maximum VEA, which indicates that LiTiTe2 and LiGaTe2 are suitable materials for hole and electron infusion, respectively. LiGaY2 shows a high electronegativity as compared to LiTiY2, which indicates that LiGaY2 offers advantages to enhance electron and hole mobility. The refractive index for LiGaY2 increases from LiGaS2 to LiGaSe2 to LiGaTe2, while for LiTiY2, the highest and the lowest magnitudes are observed for LiTiTe2 and LiTiSe2, respectively. Thermochemical properties of LiXY2 are also computed.

Graphical abstract

采用DFT方法研究了锂基黄铜矿材料LiXY2 (X = Ga, Ti; Y = S, Se, Te)的结构、光电和热化学特性。利用DFT框架下的B3LYP/LANL2DZ、B3LYP/SDD、B3LYP/DEF2TZVP、CAM-B3LYP/LANL2DZ、CAM-B3LYP/SDD、CAM-B3LYP/DEF2TZVP、APFD/LANL2DZ、APFD/SDD、APFD/DEF2TZVP等函数对LiXY2进行了几何优化和建模,并进行了对比分析。发现功能化B3LYP/DEF2TZVP提供了最合适的结果。利用B3LYP/DEF2TZVP,确定了LiGaS2、LiGaSe2和LiGaTe2的HOMO-LUMO隙分别为3.34、3.08和2.72 eV,而LiTiS2、litse2和litte2的HOMO-LUMO隙分别为2.71、2.77和1.79 eV,这表明它们在光电器件和太阳能电池中的应用前景。在基体材料中用Ti代替Ga有助于减小能隙,表现出较好的吸收能力。与LiGaY2相比,lity2的垂直电离势(VIP)和垂直电子亲和力(VEA)都较小。litte2的VIP最低,而LiGaTe2的VEA最大,说明litte2和LiGaTe2分别适合空穴注入和电子注入。与lity2相比,LiGaY2具有较高的电负性,这表明LiGaY2在提高电子和空穴迁移率方面具有优势。LiGaY2的折射率从LiGaS2到LiGaSe2再到LiGaTe2逐渐增大,而lity2的折射率以litte2和litse2的折射率最高和最低。计算了LiXY2的热化学性质。图形抽象
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引用次数: 0
Magnetic states of finite-length Mn chains on Pt(332) surface induced by the Dzyaloshinskii–Moriya interaction Dzyaloshinskii-Moriya相互作用诱导Pt(332)表面有限长度Mn链的磁态
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-20 DOI: 10.1140/epjb/s10051-025-01024-y
Sergey V. Kolesnikov, Ekaterina S. Glazova, Alexander M. Saletsky

Using the geodesic nudged elastic band method and the harmonic approximation of transition state theory the magnetic properties of finite-length Mn atomic chains on the Pt(332) surface have been investigated. Our study accounted for exchange interaction, magnetic anisotropy energy, Dzyaloshinskii–Moriya interaction (DMI), and long-range dipole–dipole interactions. We found that finite-length Mn chains can exhibit both quasicollinear and helical structures, with the DMI at the chain ends playing a crucial role in stabilizing these configurations. The competition between magnetic anisotropy energy and DMI determines the plane in which the helical structures are oriented. Additionally, dipole–dipole interactions contribute to narrowing the domain wall width and reducing the deviation of magnetic moments at the chain ends from the easy magnetization axis. Our results show that the lifetimes of magnetic states are highly sensitive to temperature and chain length. For certain chain lengths, the lifetimes of four or even six different magnetic states are nearly identical or very close. This result may be interesting for future technical applications.

利用测地微推弹性带方法和过渡态理论的谐波近似,研究了Pt(332)表面有限长Mn原子链的磁性。我们的研究考虑了交换相互作用、磁各向异性能、Dzyaloshinskii-Moriya相互作用(DMI)和远距离偶极子-偶极子相互作用。我们发现有限长度的锰链可以呈现准共线和螺旋结构,而链端DMI在稳定这些结构中起着至关重要的作用。磁各向异性能与DMI之间的竞争决定了螺旋结构取向的平面。此外,偶极-偶极相互作用有助于缩小畴壁宽度,减小链端磁矩与易磁化轴的偏差。我们的研究结果表明,磁性态的寿命对温度和链长高度敏感。对于一定长度的链,四种甚至六种不同磁态的寿命几乎相同或非常接近。这一结果可能对未来的技术应用很有意义。
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引用次数: 0
Editorial - EPJ B topical collections: recent advances in complex systems 编辑- EPJ B专题文集:复杂系统的最新进展
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-19 DOI: 10.1140/epjb/s10051-025-01011-3
T. Di Matteo, Marcelo A. Moret, Hernane Borges de Barros Pereira, Thiago B. Murari, Tarcísio M. da Rocha Filho, José Fernando F. Mendes

This editorial introduces the Topical Collection of The European Physical Journal B dedicated to Recent Advances in Complex Systems. Complex systems are characterized by multiple interacting components whose collective behavior exhibits nontrivial properties such as nonlinearity, emergence, and multiscale organization. This issue, inspired by the 2023 Conference on Complex Systems held in Salvador, Brazil, features contributions spanning diverse domains including physics, biology, economics, linguistics, and artificial intelligence. The selected papers are organized into five thematic areas: Complex Networks and Systemic Modeling; Financial, Natural and Environmental Dynamics; Advances in Computational Methods and AI; Biological and Health-Related Systems; and Fundamental Physics and Theoretical Systems. This collection reflects the interdisciplinary nature of the field and highlights its growing importance in addressing real-world challenges on systems-based thinking.

这篇社论介绍了欧洲物理杂志B的专题集,致力于复杂系统的最新进展。复杂系统以多个相互作用的组成部分为特征,这些组成部分的集体行为表现出非线性、涌现和多尺度组织等非平凡性质。这期杂志的灵感来自于在巴西萨尔瓦多举行的2023年复杂系统会议,内容涉及物理学、生物学、经济学、语言学和人工智能等多个领域。入选论文分为五个主题领域:复杂网络和系统建模;金融、自然和环境动态;计算方法与人工智能研究进展生物和健康相关系统;基础物理与理论系统。该集合反映了该领域的跨学科性质,并突出了其在解决基于系统的思维的现实挑战方面日益增长的重要性。
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引用次数: 0
Quantum correlations of the photon fields in a waveguide quantum electrodynamics 波导量子电动力学中光子场的量子相关
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-14 DOI: 10.1140/epjb/s10051-025-01020-2
Ya. S. Greenberg, O. A. Chuikin, A. G. Moiseev, A. A. Shtygashev, O. V. Kibis

We present a time-dependent quantum calculations of the first-order and second-order photon correlation functions for the scattering of a single-photon pulse on a two-level atom (qubit) embedded in a one-dimensional open waveguide. Within Markov approximation we find the analytic expression for the quantum operator of positive frequency electric field. We restricted Hilbert space of initial states by the states with one and two excitations and show that the photon probability amplitudes are given by the off-diagonal matrix elements of the electric field operator between these states. For two-excitation initial state where the atom is excited and there exists a single photon in a waveguide we calculate the second-order correlation function which describes the measurements by two detectors at two different space-time points. The second-order correlation function exhibits the interference term showing that the measurements of two detectors are correlated. This interference is similar to that found in the Hanbury Brown and Twiss correlation experiment with two indistinguishable photons.

我们提出了单光子脉冲在一维开放波导中嵌入的二能级原子(量子比特)上散射的一阶和二阶光子相关函数的时间依赖量子计算。在马尔可夫近似内,我们得到了正频率电场的量子算子的解析表达式。我们将初始态的希尔伯特空间限制为具有一种和两种激发的状态,并证明光子的概率幅值是由这些状态之间电场算子的非对角矩阵元素给出的。对于原子被激发且波导中存在单个光子的双激发初始态,我们计算了描述两个探测器在两个不同时空点测量的二阶相关函数。二阶相关函数显示干涉项,表明两个探测器的测量值是相关的。这种干涉类似于Hanbury Brown和Twiss在两个无法区分的光子的相关实验中发现的干涉。
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引用次数: 0
Diagnosing chaos in a periodically driven Ising model with a ramping field via out-of-time-order correlation saturation 基于非时序相关饱和的斜坡场周期性驱动Ising模型混沌诊断
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-13 DOI: 10.1140/epjb/s10051-025-01021-1
Rohit Kumar Shukla, Gaurav Rudra Malik, S. Aravinda, Sunil Kumar Mishra

The dynamic region of out-of-time-ordered correlators (OTOCs) serves as a powerful indicator of chaos in classical and semiclassical systems, capturing the characteristic exponential growth. However, in spin systems, the dynamic region of OTOCs does not reliably quantify chaos as both integrable and chaotic systems display similar behavior. Instead, we utilize the saturation behavior of OTOCs to differentiate between chaotic and integrable regimes. In integrable systems, the saturation region of OTOCs exhibits oscillatory behavior, while in chaotic systems, it shows a stable saturation. To evaluate this distinction, we investigate a time-dependent Ising spin system subjected to a linearly ramping transverse field, analyzing both integrable (without longitudinal field) and non-integrable (with longitudinal field) scenarios. This setup accelerates system ergodicity due to the introduction of an additional time scale within the system, enhancing chaotic dynamics in the non-integrable regime, and provides a compelling model for studying the interplay between integrability and chaos in quantum systems. To further support our findings, we investigate the level spacing distribution of time-dependent unitary operators, which effectively distinguishes chaotic from regular regions in our system and corroborates the results obtained from the saturation behavior of the OTOC. Additionally, we calculate a metric for the normalized Fourier spectrum of the OTOC which is dependent on the number of frequency components present to gain insights into the observed oscillations and its dependence on the ramping field.

在经典和半经典系统中,超时序相关器(OTOCs)的动态区域捕获了特征指数增长,是混沌的有力指示器。然而,在自旋系统中,otoc的动态区域不能可靠地量化混沌,因为可积系统和混沌系统都表现出相似的行为。相反,我们利用OTOCs的饱和行为来区分混沌和可积区域。在可积系统中,OTOCs的饱和区表现为振荡行为,而在混沌系统中,OTOCs的饱和区表现为稳定饱和。为了评估这种区别,我们研究了一个受线性倾斜横向场影响的时变Ising自旋系统,分析了可积(无纵向场)和不可积(有纵向场)两种情况。由于在系统内引入了额外的时间尺度,这种设置加速了系统的遍历性,增强了不可积状态下的混沌动力学,并为研究量子系统中可积性和混沌之间的相互作用提供了一个令人信服的模型。为了进一步支持我们的发现,我们研究了时间相关的酉算子的水平间距分布,它有效地区分了系统中的混沌和规则区域,并证实了OTOC饱和行为的结果。此外,我们计算了OTOC的归一化傅立叶谱的度量,该度量依赖于存在的频率分量的数量,以深入了解观察到的振荡及其对斜坡场的依赖。
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引用次数: 0
Quantum capacitance in two-dimensional TMDC semiconductors: effects of temperature, electric field, and spin–valley Zeeman field 二维TMDC半导体中的量子电容:温度、电场和自旋谷塞曼场的影响
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-12 DOI: 10.1140/epjb/s10051-025-01023-z
Do Muoi, Le Van Tan

We investigate the dependence of quantum capacitance (left({C}_{text{Q}}right)) on the Fermi energy (left({E}_{text{F}}right)) in two-dimensional semiconductor materials belonging to the transition metal dichalcogenide (TMDC) family, taking into account the influences of external electric fields, Zeeman fields, and temperature. At low temperatures, distinct peaks and abrupt steps are clearly observed; whereas, at room temperature, these features are suppressed owing to thermal broadening from the Fermi–Dirac distribution. When external electric fields and Zeeman field components are introduced, the structure of ({C}_{text{Q}}) becomes more complex, exhibiting step-like features and deep valleys around the Fermi level. These reflect energy level splitting induced by spin–orbit coupling and valley polarization. A comparison among MoS2, MoSe2, WS2, and WSe2 reveals significant differences in the band gap width and density of states. These results demonstrate that the quantum capacitance in TMDCs is sensitive to external parameters, highlighting its potential for applications in quantum electronic devices, high-sensitivity sensors, and spintronic technologies based on two-dimensional materials.

Graphical abstract

考虑外电场、塞曼场和温度的影响,研究了过渡金属二硫化物(TMDC)族二维半导体材料中量子电容(left({C}_{text{Q}}right))对费米能量(left({E}_{text{F}}right))的依赖关系。在低温下,可以清晰地观察到明显的峰和陡坡;然而,在室温下,由于费米-狄拉克分布的热展宽,这些特征被抑制。当引入外电场和塞曼场分量时,({C}_{text{Q}})的结构变得更加复杂,在费米能级周围呈现阶梯状特征和深谷。这反映了自旋轨道耦合和谷极化引起的能级分裂。MoS2、MoSe2、WS2和WSe2的带隙宽度和态密度存在显著差异。这些结果表明,TMDCs中的量子电容对外部参数敏感,突出了其在量子电子器件、高灵敏度传感器和基于二维材料的自旋电子技术中的应用潜力。图形摘要
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引用次数: 0
On the Wiedemann–Franz law violation in graphene and quark–gluon plasma systems 石墨烯和夸克-胶子等离子体系统中Wiedemann-Franz定律的违反
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-09 DOI: 10.1140/epjb/s10051-025-01009-x
Ashutosh Dwibedi, Subhalaxmi Nayak, Sathe Subodh Kiran, Sabyasachi Ghosh, Sesha Vempati

A comparative study of the thermodynamic and transport properties of the ultra-relativistic quark–gluon plasma produced in heavy ion collisions with the “quasi-relativistic” massless electron–hole plasma in graphene sample have been performed. We observe that the enthalpy per net charge carrier emerges as a useful physical quantity determining the transport variables in hydrodynamic domain. Lorenz ratio is defined as thermal to electrical conductivity ratio, normalized by temperature and Lorenz number (L_{0}=frac{pi ^{2}}{3}left( frac{k_{B}}{e}right) ^{2}). The validity of the Wiedemann–Franz law can be checked by evaluating the Lorenz ratio, which is expected to be unity. We investigate the validity of the Wiedemann–Franz law by examining whether the Lorenz ratio equals unity or deviates from it. Our findings indicate that, within the fluid-based framework, the Lorenz ratio consistently leads to a violation of the Wiedemann–Franz law. This is attributed to the proportional relation between Lorenz ratio and enthalpy per net charge carrier in the fluid. Based on the experimental observation, graphene and quark–gluon plasma, both systems at a low net carrier density, violate the Wiedemann–Franz law due to their fluidic nature. However, graphene at a relatively high net carrier density obeys the Wiedemann–Franz law, followed by metals with high Fermi energy or electron density. It indicates a fluid to the non-fluid transition of the graphene system from low to high carrier density. In this regard, the fluid or non-fluid aspect of quark–gluon plasma at high density is yet to be explored by future facilities such as Compressed Baryonic Matter and Nuclotron-based Ion Collider fAcility experiments.

对石墨烯样品中重离子碰撞产生的超相对论夸克-胶子等离子体与“准相对论”无质量电子-空穴等离子体的热力学和输运性质进行了比较研究。我们观察到,每净载流子的焓成为决定流体力学领域输运变量的有用物理量。洛伦兹比定义为热导率比,由温度和洛伦兹数归一化(L_{0}=frac{pi ^{2}}{3}left( frac{k_{B}}{e}right) ^{2})。Wiedemann-Franz定律的有效性可以通过计算洛伦兹比来检验,洛伦兹比被认为是统一的。我们通过检验洛伦兹比是否等于单位或偏离它来研究Wiedemann-Franz定律的有效性。我们的发现表明,在基于流体的框架内,洛伦兹比始终导致违反Wiedemann-Franz定律。这归因于流体中每净载流子的洛伦兹比和焓之间的比例关系。基于实验观察,低净载流子密度的石墨烯和夸克-胶子等离子体由于其流体性质,违反了Wiedemann-Franz定律。然而,相对较高净载流子密度的石墨烯符合Wiedemann-Franz定律,其次是具有高费米能量或电子密度的金属。它表明了石墨烯体系从低载流子密度到高载流子密度的流体到非流体的转变。在这方面,夸克-胶子等离子体在高密度下的流体或非流体方面还有待于未来的设施,如压缩重子物质和基于核子的离子对撞机设施实验来探索。
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引用次数: 0
First principles calculations of structural, electronic, and optical properties of K3GaF6 structure using density functional theory approach 利用密度泛函理论方法计算K3GaF6结构的结构、电子和光学性质的第一性原理
IF 1.7 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-08-09 DOI: 10.1140/epjb/s10051-025-01014-0
Ali Albaghdadi, Ali Bakhshayeshi, Rohollah Taghavimendi, Leili Motevalizadeh

The structural, electronic, and optical properties of the K3GaF6 compound were investigated using the Wien2k package, based on the density functional theory (DFT) and the full-potential linearized augmented plane-wave (FP-LAPW) method. The atomic positions in the structure were optimized, and the generalized gradient approximation (GGA) was employed for the exchange–correlation functional. The total and partial densities of states (DOS), Van Hove singularities, and the electronic contributions from each atom within specific energy ranges were analyzed in detail. The calculated band structure along the high-symmetry directions in the Brillouin zone reveals a direct bandgap of approximately 5.58 eV, primarily arising from the hybridization of atomic orbitals in the conduction band. In the optical analysis, the static dielectric constant, as well as the real and imaginary parts of the dielectric function, and the reflectivity were computed. K3GaF6 exhibits low reflectivity and high transparency across a wide range of photon energies, making it a promising candidate for optoelectronic and UV-transparent applications.

Graphical abstract

基于密度泛函理论(DFT)和全势线性化增广平面波(FP-LAPW)方法,利用Wien2k封装研究了K3GaF6化合物的结构、电子和光学性质。对结构中的原子位置进行了优化,并对交换相关泛函采用了广义梯度近似(GGA)。详细分析了各原子在特定能量范围内的总态密度和部分态密度、Van Hove奇点以及各原子的电子贡献。沿布里渊带高对称方向的能带结构显示出约5.58 eV的直接带隙,这主要是由导带中原子轨道的杂化引起的。在光学分析中,计算了静态介电常数、介电函数的实部和虚部以及反射率。K3GaF6在广泛的光子能量范围内具有低反射率和高透明度,使其成为光电和紫外透明应用的有希望的候选者。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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