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Keywords = low-energy Coulomb excitation

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28 pages, 597 KB  
Review
Ab Initio Calculations of Spin Waves: A Review of Theoretical Approaches and Applications
by Michael Neugum and Arno Schindlmayr
Materials 2025, 18(18), 4431; https://doi.org/10.3390/ma18184431 - 22 Sep 2025
Viewed by 903
Abstract
Spin waves represent an important class of low-energy excitations in magnetic solids, which influence the thermodynamic properties and play a major role in technical applications, such as spintronics or magnetic data storage. Despite the enormous advances of ab initio simulations in materials science, [...] Read more.
Spin waves represent an important class of low-energy excitations in magnetic solids, which influence the thermodynamic properties and play a major role in technical applications, such as spintronics or magnetic data storage. Despite the enormous advances of ab initio simulations in materials science, quantitative calculations of spin-wave spectra still pose a significant challenge, because the collective nature of the spin dynamics requires an accurate treatment of the Coulomb interaction between the electrons. As a consequence, simple lattice models like the Heisenberg Hamiltonian are still widespread in practical investigations, but modern techniques like time-dependent density-functional theory or many-body perturbation theory also open a route to material-specific spin-wave calculations from first principles. Although both are in principle exact, actual implementations necessarily employ approximations for electronic exchange and correlation as well as additional numerical simplifications. In this review, we recapitulate the theoretical foundations of ab initio spin-wave calculations and analyze the common approximations that underlie present implementations. In addition, we survey the available results for spin-wave dispersions of various magnetic materials and compare the performance of different computational approaches. In this way, we provide an overview of the present state of the art and identify directions for further developments. Full article
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13 pages, 1929 KB  
Article
An Approach to Nuclear Fusion Utilizing the Dynamics of High-Density Electrons and Neutrals, Part I
by Alfred YiuFai Wong and Chun-Ching Shih
Plasma 2025, 8(1), 4; https://doi.org/10.3390/plasma8010004 - 31 Jan 2025
Viewed by 2587
Abstract
An approach to achieve nuclear fusion utilizing the formation of high densities of electrons and neutrals is described. The abundance of low energy free electrons produces intense electric fields that reduce the Coulomb barrier in nuclear fusion. Meanwhile, high-density rotating neutrals provide high [...] Read more.
An approach to achieve nuclear fusion utilizing the formation of high densities of electrons and neutrals is described. The abundance of low energy free electrons produces intense electric fields that reduce the Coulomb barrier in nuclear fusion. Meanwhile, high-density rotating neutrals provide high centrifugal forces to achieve the extreme pressure gradients of electrons and consequent negative electric fields to reduce the ion repulsive Coulombic fields. These high-density neutrals also provide better stability and higher reaction rates. Ion–neutral coupling is responsible for the control of neutral dynamics. Since high-frequency excitations favor the generation of free electrons, pulsed operations are recommended to achieve fusion with higher gains. Full article
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22 pages, 4284 KB  
Article
Dynamics of Photoinduced Charge Carrier and Photothermal Effect in Pulse-Illuminated Narrow Gap and Moderate Doped Semiconductors
by Slobodanka Galovic, Katarina Djordjevic, Milica Dragas, Dejan Milicevic and Edin Suljovrujic
Mathematics 2025, 13(2), 258; https://doi.org/10.3390/math13020258 - 14 Jan 2025
Cited by 3 | Viewed by 1558
Abstract
When a sample of semiconducting material is illuminated by monochromatic light, in which the photon energy is higher than the energy gap of the semiconductor, part of the absorbed electromagnetic energy is spent on the generation of pairs of quasi-free charge carriers that [...] Read more.
When a sample of semiconducting material is illuminated by monochromatic light, in which the photon energy is higher than the energy gap of the semiconductor, part of the absorbed electromagnetic energy is spent on the generation of pairs of quasi-free charge carriers that are bound by Coulomb attraction. Photo-generated pairs diffuse through the material as a whole according to the density gradients established, carrying part of the excitation energy and charge through the semiconducting sample. This energy is indirectly transformed into heat, where the excess negatively charged electron recombines with a positively charged hole and causes additional local heating of the lattice. The dynamic of the photoexcited charge carrier is described by a non-linear partial differential equation of ambipolar diffusion. In moderate doped semiconductors with a low-level injection of charge carriers, ambipolar transport can be reduced to the linear parabolic partial differential equation for the transport of minority carriers. In this paper, we calculated the spectral function of the photoinduced charge carrier distribution based on an approximation of low-level injection. Using the calculated distribution and inverse Laplace transform, the dynamics of recombination photoinduced heat sources at the surfaces of semiconducting samples were studied for pulse optical excitations of very short and very long durations. It was shown that the photoexcited charge carriers affect semiconductor heating depending on the pulse duration, velocity of surface recombination, lifetime of charge carriers, and their diffusion coefficient. Full article
(This article belongs to the Special Issue Transport Phenomena Equations: Modelling and Applications)
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15 pages, 7467 KB  
Article
Telecom O-Band Quantum Dots Fabricated by Droplet Etching
by Nikolai Spitzer, Elias Kersting, Meret Grell, Danial Kohminaei, Marcel Schmidt, Nikolai Bart, Andreas D. Wieck and Arne Ludwig
Crystals 2024, 14(12), 1014; https://doi.org/10.3390/cryst14121014 - 22 Nov 2024
Cited by 5 | Viewed by 1709
Abstract
We present a novel growth technique for fabricating low-density InAs/GaAs quantum dots that emit in the telecom O-band. This method combines local droplet etching on GaAs surfaces using gallium with Stranski–Krastanov growth initiated by InAs deposition. Quantum dots nucleate directly within nanoholes, avoiding [...] Read more.
We present a novel growth technique for fabricating low-density InAs/GaAs quantum dots that emit in the telecom O-band. This method combines local droplet etching on GaAs surfaces using gallium with Stranski–Krastanov growth initiated by InAs deposition. Quantum dots nucleate directly within nanoholes, avoiding the critical layer thickness typical of standard InAs Stranski–Krastanov growth, resulting in larger, low-density quantum dots. InGaAs strain reduction layers further redshift the emission into and beyond the telecom O-band. Photoluminescence spectra show a small energy difference between ground and excited states, while capacitance-voltage spectroscopy reveal small Coulomb blockade energy. Atomic force microscopy analysis indicates that quantum dots formed within nanoholes exhibit a larger volume compared to standard quantum dots. Additionally, these nanohole nucleated quantum dots require less indium to achieve O-band emission and demonstrate comparable or even better homogeneity, as indicated by the full-width at half-maximum. This improved homogeneity, low density, and increased size make these quantum dots particularly suitable for single-photon sources in quantum communication applications. Full article
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21 pages, 7812 KB  
Article
A Hybrid Damper with Tunable Particle Impact Damping and Coulomb Friction
by Muhammad Ayaz Akbar, Wai-On Wong and Emiliano Rustighi
Machines 2023, 11(5), 545; https://doi.org/10.3390/machines11050545 - 11 May 2023
Cited by 14 | Viewed by 4558
Abstract
A particle impact damper (PID) dissipates the vibration energy of a structure through impacts within the damper. The PID is not commonly used in practice mainly because of its low damping-to-mass ratio and the difficulty in achieving its optimal design due to its [...] Read more.
A particle impact damper (PID) dissipates the vibration energy of a structure through impacts within the damper. The PID is not commonly used in practice mainly because of its low damping-to-mass ratio and the difficulty in achieving its optimal design due to its nonlinear characteristics. In contrast, a Coulomb friction damper (FD) can offer a higher damping force-to-mass ratio than other dampers, but it is also difficult to be controlled precisely due to its nonlinear characteristics and excessive frequency sensitivity regarding the resonant frequency. This paper examines a hybrid damper by combining a particle impact damper and a Coulomb friction damper (PID + FD) theoretically and experimentally. A theoretical model of the proposed damper is developed and tested numerically on a single-degree-of-freedom (SDOF) structure. The predicted results are validated by experimental tests on a prototype of the proposed damper. The damping force provided by the FD in the prototype can be varied by adjusting the normal force applied through a compression spring, while the vibration energy dissipation by the PID can be varied by changing the cavity size of the PID. A parametric analysis of the proposed hybrid damper has been performed. The proposed hybrid damper can reduce the maximum vibration amplitude of the SDOF primary structure by 66% and 43% compared with using the FD and PID only. The proposed damper is found to be effective over a wide range of excitation frequencies. Furthermore, the proposed hybrid damper achieves a similar vibration suppression performance to the traditional tuned mass damper (TMD) of a similar mass ratio. The proposed damper does not require an optimally tuned natural frequency and damping, unlike the TMD, and therefore it does not have the detuning problem associated with the TMD. In addition, the performance of the proposed damper is tested and compared with the TMD for random earthquake excitation data. Consequently, the proposed hybrid damper may be a simpler and better alternative to the TMD in passive vibration control applications. Full article
(This article belongs to the Special Issue Advanced Technologies in Vibration Control Methods)
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23 pages, 4311 KB  
Article
Three-Electron Dynamics of the Interparticle Coulombic Decay in Doubly Excited Clusters with One-Dimensional Continuum Confinement
by Joana-Lysiane Schäfer, Fabian Langkabel and Annika Bande
Molecules 2022, 27(24), 8713; https://doi.org/10.3390/molecules27248713 - 9 Dec 2022
Cited by 2 | Viewed by 1780
Abstract
A detailed analysis of the electronic structure and decay dynamics in a symmetric system with three electrons in three linearly aligned binding sites representing quantum dots (QDs) is given. The two outer A QDs are two-level potentials and can act as (virtual) photon [...] Read more.
A detailed analysis of the electronic structure and decay dynamics in a symmetric system with three electrons in three linearly aligned binding sites representing quantum dots (QDs) is given. The two outer A QDs are two-level potentials and can act as (virtual) photon emitters, whereas the central B QD can be ionized from its one level into a continuum confined on the QD axis upon absorbing virtual photons in the inter-Coulombic decay (ICD) process. Two scenarios in such an ABA array are explored. One ICD process is from a singly excited resonance state, whose decay releasing one virtual photon we find superimposed with resonance energy transfer among both A QDs. Moreover, the decay-process manifold for a doubly excited (DE) resonance is explored, in which collective ICD among all three sites and excited ICD among the outer QDs engage. Rates for all processes are found to be extremely low, although ICD rates with two neighbors are predicted to double compared to ICD among two sites only. The slowing is caused by Coulomb barriers imposed from ground or excited state electrons in the A sites. Outliers occur on the one hand at short distances, where the charge transfer among QDs mixes the possible decay pathways. On the other hand, we discovered a shape resonance-enhanced DE-ICD pathway, in which an excited and localized B* shape resonance state forms, which is able to decay quickly into the final ICD continuum. Full article
(This article belongs to the Special Issue Molecular Quantum Dynamics Beyond Bound States)
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25 pages, 7321 KB  
Article
Design and Performance Analysis of a Double-Outlet-Rod Magnetorheological Damper for Impact Load
by Chenglong Wang, Jiwei Zhang, Guoming Liu, Huan Shang and Xueqian Wei
Machines 2022, 10(11), 1099; https://doi.org/10.3390/machines10111099 - 20 Nov 2022
Cited by 7 | Viewed by 2760
Abstract
In order to improve the performance of magnetorheological dampers under impact load, a double-rod magnetorheological damper is designed in this paper, and its multi-physical field coupling model is established. The performance of a double-rod magnetorheological damper under impact conditions is characterized from the [...] Read more.
In order to improve the performance of magnetorheological dampers under impact load, a double-rod magnetorheological damper is designed in this paper, and its multi-physical field coupling model is established. The performance of a double-rod magnetorheological damper under impact conditions is characterized from the aspects of viscosity, velocity, peak pressure, impact energy consumption and viscous damping force ratio. The research contents include: a comparison of dynamic characteristics such as the viscosity, velocity and pressure of the magnetorheological damper under impact conditions and low-speed vibration; the influence of temperature on the mechanical performance parameters of the magnetorheological damper, such as peak pressure, impact energy dissipation and viscous damping force ratio, under impact load; and the establishment of a peak sensitivity function to study the influence of three key structural parameters on the magnetic flux density and impact energy dissipation at the damper damping channel. On the basis of the above theoretical research, an impact test of the processed double-rod magnetorheological damper prototype under different excitation currents is carried out. The results show that the viscosity distribution of the damping channel activation region (i.e., the region where the magnetorheological effect occurs after energization) of the magnetorheological damper under impact is disordered, the region of the structural flow in the semi-solid state is small and the influence of the Coulomb damping force is greatly weakened. When the current is 0.5 A, the viscous damping force accounts for 91.2%, and the viscous damping force plays a major role in buffering energy absorption. With an increase in working temperature, the effect of the Coulomb damping force decreases, and the peak pressure and impact energy consumption of the MR damper decrease greatly. With increasing excitation current, this reduction is further increased. The influence of gap height, piston diameter and effective length on magnetic flux density and impact energy dissipation is determined via the peak sensitivity function. When the change in the structural parameters ∆α is 30%, the change in the piston diameter has the greatest influence on the peak sensitivity of the magnetic flux density, and the peak sensitivity index of the magnetic flux density reaches 25%. The change in clearance height has the greatest influence on the impact energy consumption, and the peak sensitivity index of the impact energy consumption reaches 115%. This shows that the magnetic flux density is most affected by the piston diameter, and the impact energy consumption is most affected by the clearance height. The test results show that the test pressure peak-change curve is consistent with the simulation pressure peak-change curve, and the pressure peak error between the two is within 10%. Full article
(This article belongs to the Section Machine Design and Theory)
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10 pages, 2327 KB  
Article
Optical Conductivity Spectra of Charge-Crystal and Charge-Glass States in a Series of θ-Type BEDT-TTF Compounds
by Kenichiro Hashimoto, Ryota Kobayashi, Satoshi Ohkura, Satoru Sasaki, Naoki Yoneyama, Masayuki Suda, Hiroshi M. Yamamoto and Takahiko Sasaki
Crystals 2022, 12(6), 831; https://doi.org/10.3390/cryst12060831 - 12 Jun 2022
Cited by 3 | Viewed by 3631
Abstract
In the 3/4-filled band system θ-(BEDT-TTF)2X with a two-dimensional triangular lattice, charge ordering (CO) often occurs due to strong inter-site Coulomb repulsion. However, the strong geometrical frustration of the triangular lattice can prohibit long-range CO, resulting in a charge-glass state [...] Read more.
In the 3/4-filled band system θ-(BEDT-TTF)2X with a two-dimensional triangular lattice, charge ordering (CO) often occurs due to strong inter-site Coulomb repulsion. However, the strong geometrical frustration of the triangular lattice can prohibit long-range CO, resulting in a charge-glass state in which the charge configurations are randomly distributed. Here, we investigate the charge-glass states of orthorhombic and monoclinic θ-type BEDT-TTF salts by measuring the electrical resistivity and optical conductivity spectra. We find a substantial difference between the charge-glass states of the orthorhombic and monoclinic systems. The charge-glass state in the orthorhombic system with an isotropic triangular lattice exhibits larger low-energy excitations than that in the monoclinic one with an anisotropic triangular lattice and becomes more metallic as the isotropy of the triangular lattice increases. These results can be understood by the different charge-glass formation mechanisms in the two systems: in the orthorhombic system, the charge-glass state originates from geometric frustration due to the equilateral triangular lattice, leading to metallic 3-fold COs, whereas in the monoclinic system, the charge-glass formation originates from geometric frustration of the isosceles triangular lattice, in which the charge-glass state is described by the superposition of insulating 2-fold stripe COs. Full article
(This article belongs to the Special Issue New Spin on Metal-Insulator Transitions)
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9 pages, 294 KB  
Article
Electronic Structure of Lr+ (Z = 103) from Ab Initio Calculations
by Harry Ramanantoanina, Anastasia Borschevsky, Michael Block and Mustapha Laatiaoui
Atoms 2022, 10(2), 48; https://doi.org/10.3390/atoms10020048 - 9 May 2022
Cited by 10 | Viewed by 3154
Abstract
The four-component relativistic Dirac–Coulomb Hamiltonian and the multireference configuration interaction (MRCI) model were used to provide the reliable energy levels and spectroscopic properties of the Lr+ ion and the Lu+ homolog. The energy spectrum of Lr+ is very similar to [...] Read more.
The four-component relativistic Dirac–Coulomb Hamiltonian and the multireference configuration interaction (MRCI) model were used to provide the reliable energy levels and spectroscopic properties of the Lr+ ion and the Lu+ homolog. The energy spectrum of Lr+ is very similar to that of the Lu+ homolog, with the multiplet manifold of the 7s2, 6d17s1 and 7s17p1 configurations as the ground and low-lying excited states. The results are discussed in light of earlier findings utilizing different theoretical models. Overall, the MRCI model can reliably predict the energy levels and properties and bring new insight into experiments with superheavy ions. Full article
(This article belongs to the Special Issue Atomic Structure of the Heaviest Elements)
37 pages, 9069 KB  
Review
Theory of Excitons in Atomically Thin Semiconductors: Tight-Binding Approach
by Maciej Bieniek, Katarzyna Sadecka, Ludmiła Szulakowska and Paweł Hawrylak
Nanomaterials 2022, 12(9), 1582; https://doi.org/10.3390/nano12091582 - 6 May 2022
Cited by 19 | Viewed by 7356
Abstract
Atomically thin semiconductors from the transition metal dichalcogenide family are materials in which the optical response is dominated by strongly bound excitonic complexes. Here, we present a theory of excitons in two-dimensional semiconductors using a tight-binding model of the electronic structure. In the [...] Read more.
Atomically thin semiconductors from the transition metal dichalcogenide family are materials in which the optical response is dominated by strongly bound excitonic complexes. Here, we present a theory of excitons in two-dimensional semiconductors using a tight-binding model of the electronic structure. In the first part, we review extensive literature on 2D van der Waals materials, with particular focus on their optical response from both experimental and theoretical points of view. In the second part, we discuss our ab initio calculations of the electronic structure of MoS2, representative of a wide class of materials, and review our minimal tight-binding model, which reproduces low-energy physics around the Fermi level and, at the same time, allows for the understanding of their electronic structure. Next, we describe how electron-hole pair excitations from the mean-field-level ground state are constructed. The electron–electron interactions mix the electron-hole pair excitations, resulting in excitonic wave functions and energies obtained by solving the Bethe–Salpeter equation. This is enabled by the efficient computation of the Coulomb matrix elements optimized for two-dimensional crystals. Next, we discuss non-local screening in various geometries usually used in experiments. We conclude with a discussion of the fine structure and excited excitonic spectra. In particular, we discuss the effect of band nesting on the exciton fine structure; Coulomb interactions; and the topology of the wave functions, screening and dielectric environment. Finally, we follow by adding another layer and discuss excitons in heterostructures built from two-dimensional semiconductors. Full article
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12 pages, 5592 KB  
Communication
Photoionization of Electrons in Degenerate Energy Level of Hydrogen Atom Induced by Strong Laser Pulses
by Peipei Xin, Tianhui Qiu, Hongyang Ma, Hua Yuan and Hongping Liu
Photonics 2022, 9(4), 256; https://doi.org/10.3390/photonics9040256 - 11 Apr 2022
Cited by 2 | Viewed by 3506
Abstract
Photoionization dynamics of bounded electrons in the ground state, the first and second excited states of a hydrogen atom, triggered by ultrashort near-infrared laser pulses, have been investigated in a transition regime (γ1) that offers both multiphoton and tunneling [...] Read more.
Photoionization dynamics of bounded electrons in the ground state, the first and second excited states of a hydrogen atom, triggered by ultrashort near-infrared laser pulses, have been investigated in a transition regime (γ1) that offers both multiphoton and tunneling features. Significant differences in spectral characteristics are found between the three low-energy states. The H(2s) ionization probability is larger than the H(2p) value with a special oscillating structure, but both are much greater than the ground state H(1s) in a wide range of laser intensities. By comparing the momentum spectrum and angular distributions of low-energy photoelectrons released from these degenerate states, we find the H(2p) state shows a stronger long-range Coulomb attraction force than the H(2s) state on account of the difference in the initial electron wave packet. Furthermore, analysis of the photoelectron momentum distributions sheds light on both the first and second excited states with a symmetrical intercycle interference structure in a multicycle field but an intracycle interference of an asymmetric left-handed or right-handed rotating spectrum in a few-cycle field. By analyzing photoelectron spectroscopy, we identify the parity characteristics of photoelectrons in different energy intervals and their corresponding above-threshold single-photon ionization (ATSI) or above-threshold double-photon ionization (ATDI) processes. We finally present the momentum distributions of the electrons ionized by laser pulses with different profiles and find the carrier-envelope phase (CEP) is a strong factor in deciding the rotating structure of the emission spectrum, which provides a new method to distinguish the CEP of few-cycle pulses. Full article
(This article belongs to the Special Issue Novel Nonlinear Phenomena with Strong Laser Fields)
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17 pages, 1037 KB  
Article
Low-Energy Coulomb Excitation for the Shell Model
by Marco Rocchini and Magda Zielińska
Physics 2021, 3(4), 1237-1253; https://doi.org/10.3390/physics3040078 - 15 Dec 2021
Cited by 2 | Viewed by 5028
Abstract
Low-energy Coulomb excitation is capable of providing unique information on static electromagnetic moments of short-lived excited nuclear states, including non-yrast states. The process selectively populates low-lying collective states and is, therefore, ideally suited to study phenomena such as shape coexistence and the development [...] Read more.
Low-energy Coulomb excitation is capable of providing unique information on static electromagnetic moments of short-lived excited nuclear states, including non-yrast states. The process selectively populates low-lying collective states and is, therefore, ideally suited to study phenomena such as shape coexistence and the development of exotic deformation (triaxial or octupole shapes). Historically, these experiments were restricted to stable isotopes. However, the advent of new facilities providing intense beams of short-lived radioactive species has opened the possibility to apply this powerful technique to a much wider range of nuclei. The paper discusses the observables that can be measured in a Coulomb-excitation experiment and their relation to the nuclear structure parameters with an emphasis on the nuclear shape. Recent examples of Coulomb-excitation studies that provided outcomes relevant for the Shell Model are also presented. Full article
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