Search Results (593)

The Berezinskii–Kosterlitz–Thouless (BKT) transition is the prototype of a phase transition driven by the formation and interaction of topological defects in two-dimensional (2D) systems. In typical models, these are vortices: above a transition temperature $T_{\mathrm{BKT}}$, vortices are free; below this transition temperature, they get confined. In this work, we extend the concept of BKT transition to quantum systems in two dimensions. In particular, we demonstrate that a zero-temperature quantum BKT phase transition driven by a coupling constant can occur in 2D models governed by an effective gauge field theory with a diverging dielectric constant. One particular example is that of a compact U(1) gauge theory with a diverging dielectric constant, where the quantum BKT transition is induced by non-relativistic, purely 2D magnetic monopoles, which can be viewed also as electric vortices. These quantum BKT transitions have the same diverging exponent z as the quantum Griffiths transition but are not related to disorder. Full article

Organic mixed ionic–electronic conductors (OMIECs) are pivotal for bioelectronics; however, the microscopic origins of doping-dependent charge transport remain elusive. In this study, we established a multi-scale computational framework to quantify the distinct intramolecular electronic coupling ($H_{ab}$) distributions in systems with 25% and 75% doping levels. Our protocol employs automated quantum chemical calculations to exhaustively identify intrinsic local minima, ensuring thermodynamically stable initial conformations. Subsequent Molecular Dynamics (MD) simulations characterize the equilibration timescales and counter-ion dispersion behaviors. The simulation results reveal that the 75% doped system exhibits significantly stronger counter-ion confinement and a distinct electrostatic landscape compared to the 25% system. Finally, hybrid QM/MM calculations integrated with Constrained Density Functional Theory (CDFT) were utilized to evaluate $H_{ab}$ within these specific environments. The computed coupling distributions show a clear correlation with local electrostatic fluctuations induced by differing counter-ion arrangements. These findings indicate that doping-induced environmental disorder is a critical factor modulating intramolecular transport efficiency, providing a theoretical basis for optimizing OMIEC performance through electrostatic engineering. Full article

Lightweight, efficient, and reversible hydrogen storage materials are critical for the advancement of hydrogen-based energy technologies. In this work, we present a comprehensive density functional theory (DFT) investigation of hydrogen storage in pristine and metal-decorated C₈ carbon quantum dots (CQDs), representing ultrasmall, highly curved nanomaterials at the molecular–nanoscale interface. Lithium, magnesium, and titanium were investigated as representative decorating metals to tailor hydrogen adsorption strength and reversibility. The pristine C₈ quantum dot is structurally stable but exhibits negligible hydrogen affinity (−0.062 eV per H₂), rendering it unsuitable for practical storage applications. In contrast, metal decoration significantly enhances hydrogen adsorption while preserving molecular H₂ physisorption, yielding optimal single-molecule adsorption energies of −0.172, −0.304, and −0.451 eV for Li-, Mg-, and Ti-CQDs, respectively. Sequential adsorption analysis indicates exceptionally high hydrogen uptakes of up to 18 H₂ molecules for Li-CQD and 20 H₂ molecules for both Mg- and Ti-CQDs, corresponding to very high theoretical gravimetric capacities. Energy decomposition and interaction region analyses demonstrate that hydrogen uptake proceeds via a cooperative physisorption mechanism driven by dispersion, electrostatic, and polarization interactions, strongly enhanced by quantum confinement and extreme curvature effects inherent to the CQD. Grand canonical thermodynamic modeling confirms fully reversible hydrogen storage under practical temperature and pressure conditions. Among the systems studied, Mg-CQD exhibits the most favorable balance between adsorption strength and desorption accessibility, delivering a remarkable reversible gravimetric hydrogen storage capacity of 21.7 wt%, significantly surpassing most metal-decorated graphene-, fullerene-, and carbon nanotube-based materials reported to date. These results establish metal-decorated C₈ quantum dots as a new class of high-performance nanomaterials for reversible hydrogen storage and demonstrate the potential of ultrasmall carbon quantum dots to overcome the long-standing trade-off between hydrogen uptake and reversibility in nanostructured storage media. Full article

The influence of a non-resonant intense laser field on the optical absorption and Raman scattering processes in ZnO/Mg_0.2Zn_0.8O quantum wells is theoretically investigated. It is shown that the dressing field significantly modifies the confinement potential and reshapes the electronic wave functions, leading to tunable shifts in intersubband transition energies and changes in the dipole matrix elements. These laser-induced effects produce notable variations in the absorption spectrum and strongly modulate the Raman differential cross section and Raman gain. Under the application of a non-resonant laser field, the Raman gain is enhanced by almost a factor of four, whereas off-resonant pumping results in much weaker, yet still field-dependent, responses. The results demonstrate that intense laser fields provide an effective tool to dynamically control the optical and Raman properties of ZnO-based quantum well structures. Full article

Quantum walks (QWs) represent pillars of quantum dynamics and information processing. They provide a powerful framework for simulating quantum transport, designing search algorithms, and enabling universal quantum computation. Several physical platforms have been employed for their implementation, such as trapped atoms and ions, nuclear magnetic resonance systems, and photonic quantum architectures either in bulk optics or waveguide structures and fiber loop networks. Here we focus on the most promising and versatile approach, which is photonic integrated circuits. In this work, we review how the employment of this versatile experimental platform has allowed exploring several phenomena related to QW-based protocols, such as evolution in the presence of different kinds of noise. In this landscape, to the best of our knowledge, few examples report on the introduction of absorbing centers and their effects on the coherence of the dynamics. Here we present and discuss the results related to the absorbing boundaries in QWs, obtained through theoretical simulations and experiments conducted with the universal photonic quantum processors realized by QuiX Quantum. We analyze how localized absorption along one lattice edge affects the walker dynamics, depending on both the leakage probability and the initial injection site. Our results suggest that the presence of controlled losses modifies interference patterns and coherence without fully destroying quantum features and providing an effective resource for engineering on-chip QWs and simulating open quantum systems. Full article

The Quantum Omni-Synthesis (QOS) framework is inspired by the cosmological constant problem, the dark sector, and the tension that arises when gravity is treated as purely geometrical while quantum fields remain defined on a fixed background. QOS adopts the working hypothesis that the dominant components of the dark sector correspond to two complementary energetic tendencies already familiar from known physics: confining, binding-dominated behavior and dispersive, propagating behavior. For clarity of interpretation, these are referred to as implosive and explosive energy, respectively. This terminology is not intended to redefine cosmological dark matter or dark energy, but to provide an effective language for tracking how different forms of energy contribute to localization, propagation, and gravitational coupling across scales. QOS postulates that every field configuration admits a decomposition of its local energy density into these two complementary components. A dimensionless scalar quantity, the Quantized Gravity Coupling Parameter $\varsigma \left(x\right)$, quantifies the local fraction of implosive energy. Spacetime curvature in QOS is generated primarily by the implosive fraction, while explosive energy contributes to propagation and vacuum activity without sourcing gravity at the same strength. In this paper, a field-theoretical realization of this idea is presented for a single real scalar field. A QOS-modified Lagrangian is introduced in which the kinetic term is weighted by a factor $A(\psi ,\nabla \psi )=1-{\varsigma }^2(\psi ,\nabla \psi )$ that encodes the local balance between gradient and potential energy. From this Lagrangian, the nonlinear field equation and the corresponding energy momentum tensor are derived in full generality, including the effects of the functional dependence of A on the field and its derivatives. An effective Ricci tensor is constructed as $R_{\mu \nu }^{\mathrm{eff}}=R_{\mu \nu }+f_{\mu \nu }$, where the correction $f_{\mu \nu }$ is expressed in terms of derivatives of $\mathsf{\Phi }=ln(1-{\varsigma }^2)$ and arises from the energetic weighting rather than an independent scalar degree of freedom. The resulting QOS field equation couples this scalar sector to curvature without introducing a separate Brans–Dicke-like field. Full article

Whispering-gallery-mode (WGM) microcavities, with their ultra-high quality factors and deeply confined mode volumes, provide strong light–matter interaction and underpin a broad range of emerging photonic technologies. Their capabilities now span high-sensitivity sensing, ultra-low-noise microwave and frequency-comb generation, integrated quantum light sources, narrow-linewidth microlasers, and efficient nonlinear frequency conversion. As WGM devices advance toward greater practicality and integration, this paper reviews the research progress of WGM microcavity lasers across the visible to mid-infrared spectrum, which represents a key focus area, and discusses the challenges hindering their broader application. Full article

Bandlimited functions are functions whose Fourier transform is confined to a finite band of frequencies. We generalize this concept to representations other than the Fourier transform and show that this leads to a variety of inequalities in arbitrary representations. Several special cases are considered, including frequency, dilation, and the chirplet transform, among others. Examples are given to illustrate each result. We apply the results to quantum mechanical wave functions and probability distributions. For bounded momentum wave functions, we obtain explicit bounds on the position wave function and its derivatives, as well as bounds on the position probability distribution. We also consider the dual problem in which the position wave function is bounded, as in the case of a particle in a box with an arbitrary wave function, and obtain bounds on the corresponding momentum wave function and momentum probability distribution. The case of wave functions that are sums of a finite number of energy eigenfunctions is also developed, and bounds on the associated probability distributions are obtained. A number of specific examples are considered, including a truncated Gaussian wave function and a quantum bump wave function. Full article

ZnSe nanoparticles were synthesized via the sustainable laser fragmentation in liquids (LFL) technique using a Nd:YAG laser at 1064 nm. The pulse energy was varied to study its effect on the particle size and vibrational properties. UV–Vis absorption spectra show a blue shift in the absorption edge with a decreasing pulse energy. The sample processed at the lowest pulse energy has the smallest nanoparticles (10.3 nm average), reaches an optical band gap of 2.83 eV, and exhibits a high-energy shoulder attributed to spin–orbit-related transitions. Raman spectra reveal a strong enhancement of the surface phonon mode (231–234 cm⁻¹), where its intensity surpasses that of the longitudinal optical mode, demonstrating the dominant role of surface atoms in the vibrational response. TEM confirms a wide size distribution, i.e., centered at 10.3 ± 6.4 nm, which can account for the simultaneous observation of bulk-like and quantum-confined optical and Raman features. These results show that the pulse energy effectively tunes the nanoparticle size and phonon behavior, positioning LFL as a clean and versatile method for producing ZnSe nanostructures with relevant properties for optoelectronic applications. Full article

Electronic and spin structures of open-shell molecules and clusters were investigated as possible building blocks for the construction of one- and two-dimensional quantum spin alignment systems which exhibited several characteristic quantum properties of strongly correlated electron systems: high-T_c superconductivity, quantum spin coherence, entanglement, etc. Ab initio calculations were performed to elucidate effective exchange integrals (J) for 3d transition metal oxides, providing the J-model for high-T_c superconductivity. Theoretical investigations such as Monte Carlo simulation, molecular mechanics and quantum mechanical calculations were performed to elucidate effective chemical procedures for through-bond alignments of open-shell transition metal ions by organometallic conjugation and through-space confinements of molecular spins such as molecular oxygen by molecular confinement materials. Theoretical simulations have elucidated the importance of appropriate confinement materials for alignments of molecular spins desired for quantum coherence and quantum sensing. Equivalent transformations among coherent states of superconductors, trapped ion, neutral atom, molecular spin, molecular exciton, etc., are also discussed on theoretical and conceptual grounds such as quantum entanglement and decoherence. Full article

The degradation of mercapto organic contaminants is highly important for safety and environmental protection since the specific chemical properties and the strong nature of S-containing bonds can make them less susceptible to traditional degradation mechanisms compared to other types of organic bonds. Thus, degradation of mercapto organic contaminants often requires catalysts with specific bandgap properties to ensure efficient generation of reactive species and appropriate redox potential alignment. Hence, in this work, we prepared bandgap-engineered semiconductor photocatalysts based on nanoparticles of different silica-doped spinel cobalt ferrite [SiO₂/CoFe₂O₄] (abbreviated as SiMCoF) [SiMCoF-1, SiMCoF-2, and SiMCoF-3] and characterized them by different analytical techniques. Since the dopant composition in a heterogeneous semiconductor material has important effects on its photocatalytic efficiency because adjusting the dopant profile can modulate impurity bands and enhance optical properties, which is crucial for the oxidative degradation of organic pollutants. Results from TEM, SEM, and their EDS analysis revealed that increased SiO₂ content showed improved surface area in the matrix, facilitating the increased absorption of oxygen impurities. This is further observed by the higher R_max values presented in AFM of SiMCoF-3 (139 nm) compared to SiMCoF-2 (116 nm) and SiMCoF-1 (8.78 nm), depicting its larger effective surface area (100 µm²), which in turn increases the active binding sites in the matrix. The Raman spectrum and XRD pattern of SiMCoF-3 showed various crystal planes with different atomic arrangements and a smaller crystallite size, leading to varying affinities for oxygen impurities. As a result, the optical bandgap decreased from 3.42 eV to 2.89 eV for SiMCoF-3, which is attributed to the quantum confinement effects caused by the smaller particle size and the dispersion of silica particles in the cobalt ferrite matrix. Thus, SiMCoF-3 showed elevated degradation performance without using any potential oxidants over the degradation of mercapto organic contaminants such as 2-mercaptobenzothiazole, 2-mercaptobenzimidazole, and thiophenol under sunlight irradiation compared to other ferrites, and showed better results than Fenton’s reagent. Full article

KIT-6 samples were prepared at hydrothermal aging temperatures of 60, 100, and 140 °C, and used as templates for nanocasting of zirconium-doped ceria. In nanocast samples, the ordered 3D structure collapsed, leaving behind nanorods with a diameter roughly in concordance with the corresponding KIT-6 template pore diameter. In addition to nanocrystalline ceria, a small amount of cubic zirconia is present in the doped samples, but the formation of a solid solution was confirmed by the decrease in the ceria lattice parameter relative to bulk ceria. The specific surface areas of the nanocast samples decreased with the increase in KIT-6 template aging temperature. Ceria bandgap values were slightly blueshifted in comparison with bulk ceria, which was attributed to quantum confinement. No difference between samples concerning lattice ceria defects has been noted. Conversion curves show apparent three-stage conversion with stagnation at temperatures in the range between 250 °C and 300 °C, which is a consequence of abundant adsorption of toluene below 250 °C and desorption above 250 °C. Slight differences in catalytic activity are only due to a difference in the amount of adsorbed toluene caused by differences in the specific surface area of the samples. Full article

In this study, the optical gain characteristics of a green laser sample based on a III-Nitride InGaN single-quantum-well structure were investigated. The Green gap phenomenon, caused by bandgap fluctuations due to inhomogeneous indium composition and the quantum-confined Stark effect (QCSE), has been a major obstacle in achieving high efficiency and high output in green-light-emitting devices. To address these issues, a sample grown on a (0001)-oriented GaN substrate with a single-quantum-well active layer was fabricated to suppress In composition non-uniformity and enhance the overlap of electron and hole wavefunctions. The optical gain behavior was analyzed using the Variable Stripe Length Method (VSLM) under various excitation densities and stripe lengths ($L_{cav}$). The results showed that as the stripe length increased, the spectral linewidth decreased and stimulated emission occurred at lower excitation densities. However, excessive cavity length led to gain saturation and a red shift in the peak wavelength due to Joule heating effects. These findings provide essential insights for determining the optimal cavity length in laser diode fabrication and are expected to serve as fundamental guidelines for improving the efficiency and output power of III-Nitride-based green laser diodes. Full article

Nanohybrids consisting of quantum dots and graphene (QD/graphene) provides a unique scheme to design quantum sensors. The quantum confinement in QDs enables spectral tunability, while that in graphene provides superior photocarrier mobility. The combination of them allows for broadband light absorption and high photoconduction gain that in turn leads to high photoresponsivity in QD/Gr nanohybrid photodetectors. Since the first QD/graphene photodetector was reported in 2012, intensive research has been conducted on this topic. In this paper, a review of the recent progress made on QD/Gr nanohybrid photodetectors will be provided. Among many applications, there will be a particular focus on broadband and flexible photodetectors, which make use of the inherent advantages of the QD/Gr nanohybrids. The remaining challenges and future perspectives will be discussed in this emerging topic area. Full article

A scale-dependent effective temperature emerges as a unifying principle in the statistical physics of apparently different phenomena, namely quantum confinement in finite-size systems and non-equilibrium effects in thermodynamic systems. This concept effectively maps these inherently complex systems onto equilibrium states, thereby enabling the direct application of standard statistical physics methods. By offering a framework to analyze these systems as effectively at equilibrium, our approach provides powerful new tools that significantly expand the scope of the field. Just as the constant speed of light in Einstein’s theory of special relativity necessitates a relative understanding of space and time, our fixed ratio of energy to temperature suggests a fundamental rescaling of both quantities that allows us to recognize shared patterns across diverse materials and situations. Full article