Search Results (17)

In this study, the effects of pressure anisotropy and viscosity on the propagation of shock waves in spin-polarized degenerate quantum magnetoplasma are studied under the influence of the streaming energy of ion beams. The effects of different suitable plasma parameters on the shock wave’s potential profile are studied using the steady state solution of the Zakharov–Kuznetsov–Burgers (Z–K–B) equation, as well as the numerical simulation of the governing non-linear Z–K–B equation. First-order analysis of the non-linear wave propagation depicted a new beam-induced stable mode whose Mach number may be subsonic or supersonic depending on the anisotropic pressure combination in the presence of different spin density polarization ratios. This is the first observation of this new beam-induced stable mode in ion beam plasma, apart from the other existing modes of ion beam plasma systems, namely, the fast beam mode, the slow beam mode, the inherent ion acoustic mode, and the coupled mode, which also has unique propagation characteristics compared to the other modes. The spin density polarization ratio of spin-up and spin-down electrons have an unprecedented effect on the polarity and the direction of propagation of different shock wave modes in such plasma systems. Apart from the spin effect, anisotropic pressure combinations, as well as the viscosity of ions and ion beams, also play an outstanding role in controlling the nature of propagation of shock waves, especially in the newly detected beam-induced stable mode, and depending on the viscosity parameters of ions and ion beams, both oscillatory and monotonic shock waves can propagate in such plasma. Full article

The distortions and instability of high-symmetry configurations of polyatomic systems in nondegenerate states are usually ascribed to the pseudo-Jahn–Teller effect (PJTE). The geometries of hypericin, isohypericin, and fringelite D were optimized within various symmetry groups. Group-theoretical treatment and (TD-)DFT calculations were used to identify the corresponding electronic states during the symmetry descent. The symmetry descent paths (up to the stable structures without imaginary vibrations) were determined using the corresponding imaginary vibrations as their kernel subgroups starting from the highest possible symmetry group. The vibronic interaction between the ground and excited electronic states relates to an increasing energy difference of both states during the symmetry decrease. This criterion was used to identify possible PJTE. We have shown that the PJTE in these naturally occurring compounds could explain only the symmetry descent paths C_2v → C₂ and C_2v → C_s in hypericin, and the D_2h → C_2v, D_2h → C_2v → C₂, and D_2h → C_2h ones in fringelite D. The electric dipole moments of hypericin and its analogs were determined prevailingly by the mutual orientations of the hydroxyl groups. The same held for the energies of frontier orbitals in these systems, but their changes during the symmetry descent were less significant. Full article

We use Big Bang Nucleosynthesis (BBN) to probe Beyond Standard Model physics in the neutrino sector. Recently, the abundances of primordially produced light elements D and He-4 were determined from observations with better accuracy. The good agreement between the theoretically predicted abundances of primordially produced light elements and those derived from observations allows us to update the BBN constraints on Beyond Standard Model (BSM) physics. We provide numerical analysis of several BSM models of BBN and obtain precise cosmological constraints and indications for new neutrino physics. Namely, we derive more stringent BBN constraints on electron neutrino–sterile neutrino oscillations corresponding to $1\%$ uncertainty of the observational determination of the primordial He-4. The cosmological constraints are obtained both for the zero and non-zero cases of the initial population of the sterile neutrino state. Then, in a degenerate BBN model with neutrino ${\nu }_e\leftrightarrow {\nu }_s$ oscillations, we analyze the change in the cosmological constraints in case lepton asymmetry L is big enough to suppress oscillations. We obtain constraints on the lepton asymmetry L. We discuss a possible solution to the dark radiation problem in degenerate BBN models with ${\nu }_e\leftrightarrow {\nu }_s$ oscillations in case L is large enough to suppress neutrino oscillations during the BBN epoch. Interestingly, the required value of L for solving the DR problem is close to the value of L indicated by the EMPRESS experiment, and also it is close to the value of lepton asymmetry that is necessary to relax Hubble tension. Full article

This article presents a theoretical study of the optical and transport properties of metals. Iron, as an example, was used to discuss, through a theoretical description, the peculiarities of these properties in the compressed and expanded states under the influence of high-density energy fluxes. By solving the semi-classical Boltzmann equation for conduction electrons for a broad range of densities and temperatures, the expressions of electrical conductivity, electronic thermal conductivity, and thermoelectric coefficient calculations were derived. The real and imaginary parts of the iron permittivity and the energy absorption coefficient for the first and second harmonics of Nd:YAG laser radiation were obtained. The calculation peculiarities of the metal’s optical characteristics of matter in an expanded state in a broad range of densities and temperatures were considered. The analysis of the obtained results shows their agreement with the theoretical description for cases of ideal non-degenerate and dense degenerate electron plasmas. It is shown that the behavior of the electrical conductivity and optical characteristics in the critical and supercritical regions of density and temperature are in agreement with the known experimental results. Full article

CaAFe${}_4$As${}_4$ with A = K, Rb, and Cs are close to the doped 122 system, and the parent material can reach a superconducting transition temperature of 31–36 K without doping. To study the role of alkali metals, we investigated the induced hole doping and chemical pressure effects as a result of the introduction of alkali metals using density-functional-based methods. These two effects can affect the superconducting transition temperature by changing the number of electrons and the structure of the FeAs conductive layer, respectively. Our study shows that the $d_{xz}$ and $d_{yz}$ orbitals, which are degenerate in CaFe${}_2$As${}_2$, become nondegenerate in CaAFe${}_4$As${}_4$ due to two nonequivalent arsenic atoms (As1 and As2). The unusual oblate ellipsoid hole pocket at $\Gamma$ point in CaAFe${}_4$As${}_4$ results from a divalent cation Ca²+ replaced by a monovalent cation A⁺. It shows one of the main differences in fermiology compared to a particular form of CaFe${}_2$As${}_2$ with reduced 1144 symmetry, due to the enhancement of As2-Fe hybridization. The unusual band appears in CaFe${}_2$As${}_2$ (1144) and gradually disappears in the change of K to Cs. Further analysis shows that this band is contributed by As1 and has strong dispersion perpendicular to the FeAs layer, suggesting that it is related to the peculiar van Hove singularity below the Fermi level. In addition, various aspects of CaFe${}_2$As${}_2$ (1144) and CaAFe${}_4$As${}_4$ in the ground state are discussed in terms of the influence of hole doping and chemical pressure. Full article

Two-dimensional van der Waals materials exhibit particularly strong excitonic effects, which causes them to be an exceptionally interesting platform for the investigation of exciton physics. A notable example is the two-dimensional Ruddlesden–Popper perovskites, where quantum and dielectric confinement together with soft, polar, and low symmetry lattice create a unique background for electron and hole interaction. Here, with the use of polarization-resolved optical spectroscopy, we have demonstrated that the simultaneous presence of tightly bound excitons, together with strong exciton–phonon coupling, allows for observing the exciton fine structure splitting of the phonon-assisted transitions of two-dimensional perovskite (PEA)${}_2$PbI${}_4$, where PEA stands for phenylethylammonium. We demonstrate that the phonon-assisted sidebands characteristic for (PEA)${}_2$PbI${}_4$ are split and linearly polarized, mimicking the characteristics of the corresponding zero-phonon lines. Interestingly, the splitting of differently polarized phonon-assisted transitions can be different from that of the zero-phonon lines. We attribute this effect to the selective coupling of linearly polarized exciton states to non-degenerate phonon modes of different symmetries resulting from the low symmetry of (PEA)${}_2$PbI${}_4$ lattice. Full article

In this paper, the combined effect of electronic and substrate screening on impurity states in inversion layers is investigated theoretically. An explicit expression of the screened impurity interaction potential with an effective screening parameter, depending on the material and structural parameters, is established analytically for the first time. The main physical results are (a) an enhancement of the carrier saturation effect and (b) the dependence of the nature of the screening mechanism on the dielectric type (low-κ and high-κ) of the oxide layer. An experimentally measurable impurity binding energy is studied and numerically presented for realistic InSb/SiO₂/SiO₂/metal (ll-) and InSb/S(sulfur)/HfO₂/metal (lh-κ type) multi-layer structures. A substantial enhancement of the binding energy is obtained with the non-degenerate Q2D EG for the ll-κ-type structure, reaching an almost fourfold value of the InSb bulk sample (~0.66 meV). Full article

ZnSnN₂ has potential applications in photocatalysis and photovoltaics. However, the difficulty in preparing nondegenerate ZnSnN₂ hinders its device application. Here, the preparation of low-electron-density nanocrystalline ZnSnN₂ and its device application are demonstrated. Nanocrystalline ZnSnN₂ was prepared with reactive sputtering. Nanocrystalline ZnSnN₂ with an electron density of approximately 10¹⁷ cm⁻³ can be obtained after annealing at 300 °C. Nanocrystalline ZnSnN₂ is found to form Schottky contact with Ag. Both the current I vs. voltage V curves and the capacitance C vs. voltage V curves of these samples follow the related theories of crystalline semiconductors due to the limited long-range order provided by the crystallites with sizes of 2–10 nm. The I−V curves together with the nonlinear C⁻²−V curves imply that there are interface states at the Ag-nanocrystalline ZnSnN₂ interface. The application of nanocrystalline ZnSnN₂ to heterojunction solar cells is also demonstrated. Full article

In an atom, the interaction of a bound electron with the vacuum fluctuations of the electromagnetic field leads to complex shifts in the energy levels of the electron, with the real part of the shift corresponding to a shift in the energy level and the imaginary part to the width of the energy level. The most celebrated radiative shift is the Lamb shift between the $2s_{1/2}$ and the $2p_{1/2}$ levels of the hydrogen atom. The measurement of this shift in 1947 by Willis Lamb Jr. proved that the prediction by Dirac theory that the energy levels were degenerate was incorrect. Hans Bethe’s non-relativistic calculation of the shift using second-order perturbation theory demonstrated the renormalization process required to deal with the divergences plaguing the existing theories and led to the understanding that it was essential for theory to include interactions with the zero-point quantum vacuum field. This was the birth of modern quantum electrodynamics (QED). Numerous calculations of the Lamb shift followed including relativistic and covariant calculations, all of which contain a nonrelativistic contribution equal to that computed by Bethe. The semi-quantitative models for the radiative shift of Welton and Power, which were developed in an effort to demonstrate physical mechanisms by which vacuum fluctuations lead to the shift, are also considered here. This paper describes a calculation of the shift using a group theoretical approach which gives the shift as an integral over frequency of a function, which is called the “spectral density of the shift.“ The energy shift computed by group theory is equivalent to that derived by Bethe yet, unlike in other calculations of the non-relativistic radiative shift, no sum over a complete set of states is required. The spectral density, which is obtained by a relatively simple computation, reveals how different frequencies of vacuum fluctuations contribute to the total energy shift. The analysis shows, for example, that half the radiative shift for the ground state 1S level in H comes from virtual photon energies below 9700 eV, and that the expressions of Power and Welton have the correct high-frequency behavior, but not the correct low-frequency behavior, although they do give approximately the correct value for the total shift. Full article

Body shape and curvature are vital criteria for judging health. However, few studies exist on the curvature of the body. We present a skin-interactive electronic sticker that digitally decodes the epidermis deformation in a hybrid cartridge format (disposable bandages and non-disposable kits). The device consists of two functional modes: (1) as a thin electronic sticker of 76 μm thickness and a node pitch of 7.45 mm for the measurement of body curvature in static mode, and (2) as a wrist bandage for the deciphering of skin wave fluctuations into a colored core-line map in dynamic mode. This method has high detection sensitivity in the static mode and high accuracy of 0.986 in the dynamic mode, resulting in an F₁ score of 0.966 in testing by feedforward deep learning. The results show that the device can decipher 32 delicate finger folding gestures by measuring skin depths and positions via image segmentation, leading to an optimal core line in a color map. This approach can help provide a better understanding of skin wave deflection and fluctuations for potential wearable applications, such as in delicate skin-related gesture control in the metaverse, rehabilitation programs for the brain-degenerate, and as a detector of biophysical state relating to body shape and curvature in the field of digital medicine. Full article

Neutron stars are the densest objects in the Universe. In this paper, we consider the so-called inner crust—the layer where neutron-excess nuclei are immersed in the degenerate gas of electrons and a sea of quasi-free neutrons. It was generally believed that spherical nuclei become unstable with respect to quadrupole deformations at high densities, and here, we consider this instability. Within the perturbative approach, we show that spherical nuclei with equilibrium number density are, in fact, stable with respect to infinitesimal quadrupole deformation. This is due to the background of degenerate electrons and associated electrostatic potential, which maintain stability of spherical nuclei. However, if the number of atomic nuclei per unit volume is much less than the equilibrium value, instability can arise. To avoid confusion, we stress that our results are limited to infinitesimal deformations and do not guarantee strict thermodynamic stability of spherical nuclei. In particular, they do not exclude that substantially non-spherical nuclei (so-called pasta phase) represent a thermodynamic equilibrium state of the densest layers of the neutron star crust. Rather, our results point out that spherical nuclei can be metastable even if they are not energetically favourable, and the timescale of transformation of spherical nuclei to the pasta phases should be estimated subsequently. Full article

In this paper we continued our research of the uniform electron gas in a warm dense matter regime, focusing on the momentum distribution functions and pair correlation functions. We use the single–momentum path integral Monte Carlo method, based on the Wigner formulation of quantum statistics to calculate both momentum- and coordinate-depending distributions and average values of quantum operators for many-fermion Coulomb systems. We discovered that the single-particle momentum distribution function deviates from the ideal Fermi distribution and forms the so-called “quantum tails” at high momenta, if non-ideality is strong enough in both degenerate and non-degenerate cases. This effect is always followed by the appearance of the short-range order on pair correlation functions and can be explained by the tunneling through the effective potential wells surrounding the electrons. Furthermore, we calculated the average kinetic and potential energies in the wide range of states, expanding our previous results significantly. Full article

We present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)₃]²⁺ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization of the EA spectra under the Liptay formalism for non-degenerate excited states. Therefore, the experimental EA spectra are compared with the spectra computed by the TDDFT (time-dependent density-functional theory) method, which for the first time explains the mechanism of electroabsorption in tris(bipyridine) Ru complexes without any additional assumptions about the spectral lineshape of the EA signal. We have shown that the main EA feature, in a form close to the absorption second derivative observed in the spectral range of the first MLCT (metal-to-ligand charge transfer) absorption band in Ru(bpy)₃(PF₆)₂, can be attributed to a delocalized and orbitally degenerate excited state. This result may have key implications for the EA mechanism in RBY-based systems that exhibit similar EA spectra due to the robust nature of MLCT electronic states in such systems. Full article

A theoretical investigation has been carried out to examine the ion-acoustic shock waves (IASHWs) in a magnetized degenerate quantum plasma system containing inertialess ultra-relativistically degenerate electrons, and inertial non-relativistic positively charged heavy and light ions. The Burgers equation is derived by employing the reductive perturbation method. It can be seen that under the consideration of non-relativistic positively charged heavy and light ions, the plasma model only supports the positive electrostatic shock structure. It is also observed that the charge state and number density of the non-relativistic heavy and light ions enhance the amplitude of IASHWs, and the steepness of the shock profile is decreased with ion kinematic viscosity. The findings of our present investigation will be helpful in understanding the nonlinear propagation of IASHWs in white dwarfs and neutron stars. Full article

Pauling introduced the concept of electronegativity of an atom which has played an important role in understanding the polarity and ionic character of bonds between atoms. We set out to define a related concept of atomic reactivity in such a way that it can be quantified and used to predict the stability of covalent bonds in molecules. Guided by the early definition of electronegativity by Mulliken in terms of first ionization energies and Pauling in terms of bond energies, we propose corresponding definitions of atomic reactivity. The main goal of clearly distinguishing the inert gas atoms as nonreactive is fulfilled by three different proposed measures of atomic reactivity. The measure likely to be found most useful is based on the bond energies in atomic hydrides, which are related to atomic reactivities by a geometric average. The origin of the atomic reactivity is found in the symmetry of the atomic environment and related conservation laws which are also the origin of the shell structure of atoms and the periodic table. The reactive atoms are characterized by degenerate or nearly degenerate (several states of the same or nearly the same energy) ground states, while the inert atoms have nondegenerate ground states and no near-degeneracies. We show how to extend the use of the Aufbau model of atomic structure to qualitatively describe atomic reactivity in terms of ground state degeneracy. The symmetry and related conservation laws of atomic electron structures produce a strain (energy increase) in the structure, which we estimate by use of the Thomas-Fermi form of DFT implemented approximately with and without the symmetry and conservation constraints. This simplified and approximate analysis indicates that the total strain energy of an atom correlates strongly with the corresponding atomic reactivity measures but antibonding mechanisms prevent full conversion of strain relaxation to bonding. Full article