Pub Date : 2025-08-26DOI: 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.
{"title":"Raman spectroscopic study on solute–solvent interactions in saturated 2,2’-bipyridine and benzene solution","authors":"Hongying Mei, Shibo Du, Shuxiang Sun, Xinyan Zheng, Huali Hao, Juan Xiong, Hua Wen","doi":"10.1140/epjb/s10051-025-01027-9","DOIUrl":"10.1140/epjb/s10051-025-01027-9","url":null,"abstract":"<p>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.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-23DOI: 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。
{"title":"A comparative review of recent results on supercritical anomalies in two-dimensional kinetic Ising and Blume–Capel ferromagnets","authors":"Gloria M. Buendía, Celeste Mendes, Per Arne Rikvold","doi":"10.1140/epjb/s10051-025-01018-w","DOIUrl":"10.1140/epjb/s10051-025-01018-w","url":null,"abstract":"<p>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.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjb/s10051-025-01018-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144892445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-20DOI: 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
{"title":"Insight into the optoelectronic and thermochemical properties of LiXY2 (X = Ga, Ti; Y = S, Se, Te): a DFT study","authors":"Saloni Saloni, Prabhat Ranjan, Tanmoy Chakraborty","doi":"10.1140/epjb/s10051-025-01022-0","DOIUrl":"10.1140/epjb/s10051-025-01022-0","url":null,"abstract":"<div><p>Structure, optoelectronic, and thermochemical characteristics of Li-based chalcopyrite materials LiXY<sub>2</sub> (X = Ga, Ti; Y = S, Se, Te) are studied using DFT approach. Geometry optimization and modeling of LiXY<sub>2</sub> 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 LiGaS<sub>2</sub>, LiGaSe<sub>2</sub> and LiGaTe<sub>2</sub> are determined as 3.34, 3.08, and 2.72 eV, respectively, whereas for LiTiS<sub>2</sub>, LiTiSe<sub>2</sub>, and LiTiTe<sub>2</sub>, 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 LiTiY<sub>2</sub> are found lesser in magnitude in comparison with LiGaY<sub>2</sub>. LiTiTe<sub>2</sub> exhibits the lowest VIP, whereas LiGaTe<sub>2</sub> displays the maximum VEA, which indicates that LiTiTe<sub>2</sub> and LiGaTe<sub>2</sub> are suitable materials for hole and electron infusion, respectively. LiGaY<sub>2</sub> shows a high electronegativity as compared to LiTiY<sub>2</sub>, which indicates that LiGaY<sub>2</sub> offers advantages to enhance electron and hole mobility. The refractive index for LiGaY<sub>2</sub> increases from LiGaS<sub>2</sub> to LiGaSe<sub>2</sub> to LiGaTe<sub>2</sub>, while for LiTiY<sub>2</sub>, the highest and the lowest magnitudes are observed for LiTiTe<sub>2</sub> and LiTiSe<sub>2</sub>, respectively. Thermochemical properties of LiXY<sub>2</sub> are also computed.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144880867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-20DOI: 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.
{"title":"Magnetic states of finite-length Mn chains on Pt(332) surface induced by the Dzyaloshinskii–Moriya interaction","authors":"Sergey V. Kolesnikov, Ekaterina S. Glazova, Alexander M. Saletsky","doi":"10.1140/epjb/s10051-025-01024-y","DOIUrl":"10.1140/epjb/s10051-025-01024-y","url":null,"abstract":"<p>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.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144869136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-19DOI: 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.
{"title":"Editorial - EPJ B topical collections: recent advances in complex systems","authors":"T. Di Matteo, Marcelo A. Moret, Hernane Borges de Barros Pereira, Thiago B. Murari, Tarcísio M. da Rocha Filho, José Fernando F. Mendes","doi":"10.1140/epjb/s10051-025-01011-3","DOIUrl":"10.1140/epjb/s10051-025-01011-3","url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-14DOI: 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.
{"title":"Quantum correlations of the photon fields in a waveguide quantum electrodynamics","authors":"Ya. S. Greenberg, O. A. Chuikin, A. G. Moiseev, A. A. Shtygashev, O. V. Kibis","doi":"10.1140/epjb/s10051-025-01020-2","DOIUrl":"10.1140/epjb/s10051-025-01020-2","url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
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.
{"title":"Diagnosing chaos in a periodically driven Ising model with a ramping field via out-of-time-order correlation saturation","authors":"Rohit Kumar Shukla, Gaurav Rudra Malik, S. Aravinda, Sunil Kumar Mishra","doi":"10.1140/epjb/s10051-025-01021-1","DOIUrl":"10.1140/epjb/s10051-025-01021-1","url":null,"abstract":"<p>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.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjb/s10051-025-01021-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-12DOI: 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.
{"title":"Quantum capacitance in two-dimensional TMDC semiconductors: effects of temperature, electric field, and spin–valley Zeeman field","authors":"Do Muoi, Le Van Tan","doi":"10.1140/epjb/s10051-025-01023-z","DOIUrl":"10.1140/epjb/s10051-025-01023-z","url":null,"abstract":"<div><p>We investigate the dependence of quantum capacitance <span>(left({C}_{text{Q}}right))</span> on the Fermi energy <span>(left({E}_{text{F}}right))</span> 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 <span>({C}_{text{Q}})</span> 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 MoS<sub>2</sub>, MoSe<sub>2</sub>, WS<sub>2</sub>, and WSe<sub>2</sub> 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.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
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.
{"title":"On the Wiedemann–Franz law violation in graphene and quark–gluon plasma systems","authors":"Ashutosh Dwibedi, Subhalaxmi Nayak, Sathe Subodh Kiran, Sabyasachi Ghosh, Sesha Vempati","doi":"10.1140/epjb/s10051-025-01009-x","DOIUrl":"10.1140/epjb/s10051-025-01009-x","url":null,"abstract":"<p>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 <span>(L_{0}=frac{pi ^{2}}{3}left( frac{k_{B}}{e}right) ^{2})</span>. 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.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-09DOI: 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.
{"title":"First principles calculations of structural, electronic, and optical properties of K3GaF6 structure using density functional theory approach","authors":"Ali Albaghdadi, Ali Bakhshayeshi, Rohollah Taghavimendi, Leili Motevalizadeh","doi":"10.1140/epjb/s10051-025-01014-0","DOIUrl":"10.1140/epjb/s10051-025-01014-0","url":null,"abstract":"<div><p>The structural, electronic, and optical properties of the K<sub>3</sub>GaF<sub>6</sub> 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. K<sub>3</sub>GaF<sub>6</sub> exhibits low reflectivity and high transparency across a wide range of photon energies, making it a promising candidate for optoelectronic and UV-transparent applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}