Population of the states in collisions of mixed-state (1s21S,1s2s3S) B3+ and C4+ ion beams with He and H2 targets

Auger KLn lines are observed in high-resolution electron spectra obtained in collisions of mixed-state (1s²¹S,1s2s³S) He-like beams of 4 MeV B³⁺ with H₂ and 6 MeV C⁴⁺ with He targets. Supporting atomic structure calculations show these lines to correspond to doubly excited states, which can be readily populated by electron transfer to the component of the mixed-state beam. They thus provide indirect evidence for the existence of the corresponding KLn quartet states, similarly produced, even though their weak Auger decay does not allow for their direct observation in the electron spectra. These KLn quartet states mostly decay in a cascade chain of strong radiative E1 transitions, eventually terminating at the state, which is thus additionally enhanced. An upper limit on the state population due to cascades is obtained by assuming a statistical production of KLn quartet to doublet states followed by a 100% cascade feeding of the state. Our estimated upper limit is supported by our absolute cross section measurements and corresponding three-electron atomic orbital close coupling calculations in progress. Results to date are presented and discussed.     

Determination of binary systems based on light elements by the ratio of the Compton and Rayleigh scattering intensities

A generalization of the Compton method for determining elements with a low atomic number Z from 1 (H) to 9 (F) by the ratio of the intensities of incoherent (Compton) and coherent (Rayleigh) scattering is proposed. The generalization takes into account not only the dependence of this ratio on the effective atomic number of the scatterer material but also the momentum transfer variable x = . The new method is based on the application of calibration function of obtained by measuring scattering spectra at two values of x₁= 0.831 Å⁻¹ and x₂= 1.297 Å⁻¹ with a WDXRF spectrometer. The elemental atomic numbers and their concentrations of binary compounds with unknown compositions are determined by the solution of a system of linear equations. Coefficients of the equations are calculated from the measured ratios for the test sample and the regularization solution for the corresponding calibration. The experiments have been carried out for standard samples of single-component, binary and triple stoichiometric compounds based on H, Li, Be, B, C, O and F. The identification of these elements was found to be possible in the absence of a relationship between the positions of scattering peaks and the composition of the sample, and a qualitative and quantitative analysis of the composition of the material was carried out as part of the solution of a single inverse problem.     

Multipole cross sections for collisional excitation of highly charged ions by isotropic electrons

The relativistic distorted-wave program of the flexible atomic code for calculating the cross sections for electron-impact excitation of ions between fine-structure levels is extended to get the multipole components of cross sections in the case of excitation by isotropic electrons. These components may be needed for interpreting the intensity and polarization of line emissions from thermal plasmas exposed to anisotropic radiations, such as the solar corona under photosphere irradiation. Illustrative numerical results are given for excitation of Si-like Fe¹²⁺ between the , and levels. These results can be useful in the analysis of infrared forbidden lines emitted from the solar corona. A comparison is made with the only published work based on the semi-relativistic distorted-wave approximation, showing some agreement for the excitation and discrepancies for the weak transition .     

Structural properties of Li atom under quantum and classical plasmas: A composite variational framework

Structural properties of 1s²nl (²L) [n = 2–5, l = 0–4; where, n and l are the principal quantum number and orbital angular momentum quantum number, respectively] states of Li atom embedded in classical weakly coupled plasma (WCP) and dense quantum plasma (DQP) have been discussed. The Debye-Hckel potential or the screened-Coulomb potential (SCP) and exponential-cosine-screened Coulomb potential (ECSCP) have been used to mimic the WCP and DQP, respectively. Li atom has been treated as a composite system with a frozen core Li⁺ ion and a chemically active valence electron. The Rayleigh-Ritz variational method with Hylleraas-type basis set has been used to estimate the energy eigenvalue of 1s² (¹S) state of Li⁺ ion core and a pure exponential basis has been considered to compute the energy of nl (²L) states of the valence electron of Li atom. The influence of ECSCP and SCP on the radial probability distribution of the valence electron of the Li atom has also been studied.     

Anisotropic charge transport properties of chrysene derivatives as organic semiconductor: A computational study

We used density functional theory to calculate the angular resolution anisotropic charge mobility of the substituted chrysene molecules, viz, 4,10‐diphenoxychrysene (DPC), 4,10‐bis(phenylsulfanyl)chrysene (BPSC), and ethyl 8,9,12‐trimethoxychrysene‐6‐carboxylate (ETCC). The highest occupied molecular orbital–lowest unoccupied molecular orbital gap for DPC, BPSC, and ETCC was calculated to be 3.92, 3.83, and 3.81 eV, respectively, which inferred the compounds to be wide‐band‐gap semiconductors indicating that the compounds should have high stability in atmospheric conditions. The fact is also supported by electronic band‐structure calculation. In addition, higher electron affinity of studied compounds as compared with the bare chrysene molecule imparts enhancement of n‐type character in the compounds. The maximum hole ( ) and electron mobilities ( ) for DPC compound were found to be 0.739 cm²V^?1s^?1 and 0.319 cm²V^?1s^?1, respectively, at Φ = 0°. On the other hand, in the case of BPSC crystal, comparatively larger anisotropic electron mobility (0.709 cm²V^?1s^?1 at Φ = 0° and Φ = 179.90°) than the hole mobility (0.208 cm²V^?1s^?1 at Φ = 127.19° and Φ = 307.10°) was noted. Similarly, in ETCC, the parallel dimers were found to contribute maximum and of 0.052 and 0.102 cm²V^?1s^?1, respectively, at Φ = 0°. The substitution of ‐SPh in BPSC and ‐OCH₃ and ‐CO₂CH₂CH₃ in ETCC have relatively more impact on band reduction than ‐OPh in DPC, thus facilitating electron transport in BPSC and ETCC.     

Theoretical analysis of autoionization states for B-like ions

Autoionization levels 1s 2s² 2p², 1s 2p⁴ and 1s 2s 2p³ of B-like ions were theoretically investigated for Z= 5–100. Calculation was made using perturbation theory over 1/Z. Relativistic corrections were taken into account in limits of Breit operator. Behaviour of radiative transition probabilityA, autoionization rate and level lifetime was considered fromZ = 5 up toZ = 100 in detail for configurations 1s 2s² 2p², 1s 2p⁴ withJ = 1/2.We want to thank Professor L. A.Vainstein for useful discussions.     

Theoretical studies on dielectronic recombination of neonlike gold and its effects on plasma ionization balance and radiation energy

The dielectronic recombination (DR) of neonlike gold ions is investigated employing the flexible atomic code based on the relativistic configuration interaction method, and its influence on the ionization balance and radiation energy in high-temperature plasma is also studied. The total resonance strength for LMM configuration complex is in a good agreement with the experimental measurement and other theoretical works. The DR rate coefficients are calculated and compared with the three-body recombination and radiative recombination rate coefficients. The DR process is the dominant recombination mechanism of Ne-like gold ions for plasma with temperature T_e≥6.5 keV and density n_e≤2×10²² cm^-3, which is close to the condition of X-ray conversion region in the inertial confinement fusion. Moreover, the DR satellite spectra of LMM, LMN and LMO resonances are simulated, and compared with the intensities of the corresponding resonance lines induced by the electron impact excitation. The intensity ratio of the satellite line 3D’ [(2p⁵_3/23d_3/23d_5/2)_J=5/2[(2p^{5}_{3/2}3d_{3/2}3d_{5/2})_{J=5/2}–(2p⁶3d_3/2) _J=3/2](2p^{6}3d_{3/2})_{ J=3/2}] and the resonance line 3D [(2p⁵_3/23d_5/2)_J=1[(2p^{5}_{3/2}3d_{5/2})_{J=1}–(2p⁶)_J=0](2p^{6})_{J=0}] is given, which can be applied for diagnostics of plasma temperature.     

Realization of Z2 Topological Metal in Single-Crystalline Nickel Deficient NiV2Se4

Temperature-dependent electronic and magnetic properties are reported for nickel-deficient NiV₂Se₄. Single-crystal X-ray diffraction shows it to crystallize in the monoclinic Cr₃S₄ structure type with space group $I2/m$ and vacancies on the Ni site, resulting in the composition Ni_0.85V₂Se₄ in agreement with our electron-probe microanalysis. Structural distortions are not observed down to 1.5 K. Nevertheless, the electrical resistivity shows metallic behavior with a broad anomaly around 150–200 K that is also observed in the heat capacity data. This anomaly indicates a change of state of the material below 150 K. It is believed that this anomaly could be due to spin fluctuations or charge-density-wave fluctuations, where the lack of long-range order is caused by vacancies at the Ni site of Ni_0.85V₂Se₄. The non-linear temperature dependence of the resistivity as well as an enhanced value of the Sommerfeld coefficient $\gamma =104.0(1)$ mJ mol⁻¹ K⁻² suggest strong electron–electron correlations in this material. First-principles calculations performed for NiV₂Se₄, which are also applicable to Ni_0.85V₂Se₄, classify this material as a topological metal with $Z_2=(1;110)$ and coexisting electron and hole pockets at the Fermi level. The phonon spectrum lacks any soft phonon mode, consistent with the absence of periodic lattice distortion in the present experiments.     

Spectral Determinant of the Two-Photon Quantum Rabi Model

The various generalized spectral determinants (G-functions) of the two-photon quantum Rabi model are analyzed with emphasis on the qualitative aspects of the regular spectrum. Whereas all of them yield at least a subset of the exact regular eigenvalues, only the G-function proposed by Chen et al. in 2012 exhibits an explicitly known pole structure which dictates the approach to the collapse point. This function is derived rigorously employing the ${\mathbb{Z}}_4$-symmetry of the model and shown that its zeros correspond to the complete regular spectrum.     

Observation of 1D−1S forbidden optical emission of atomic oxygen in atmospheric-pressure N2/O2 plasma jet

We observed green optical emission from an atmospheric-pressure N₂/O₂ plasma jet. The green optical emission was composed of a line emission at λ = 557.71 ± 0.03 nm and a broadband component at 530 ≤ λ ≤ 560 nm . The line emission was assigned to the ¹D−¹S forbidden transition of atomic oxygen, whereas the broadband emission was due to the formation of O(¹S)N₂ excimer. We measured the absolute densities of O(¹S) and O(¹S)N₂ using a spectrograph with the absolute sensitivity calibration, and we discussed the kinetics in the green plasma jet on the basis of the absolute O(¹S) and O(¹S)N₂ densities. According to the rate coefficients and the transition probabilities reported in literature, the present experimental results are explained if the densities of and O(³P) are 9 × 10¹³ and 3 × 10¹³cm⁻³ , respectively.     

Physical Dimensions/Units and Universal Constants: Their Invariance in Special and General Relativity

The theory of physical dimensions and units in physics is outlined. This includes a discussion of the universal applicability and superiority of quantity equations. The International System of Units (SI) is one example thereof. By analyzing mechanics and electrodynamics, it naturally leads one, besides the dimensions of length and time, to the fundamental units of action $\mathfrak{h}$, electric charge q, and magnetic flux ?. Also, $q\times ?=\text{action}$ and $q/?=1/\text{resistance}$ are known. These results of classical physics suggests to look into the corresponding quantum aspects of q and ? (and also of $\mathfrak{h}$): The electric charge occurs exclusively in elementary charges e, whereas the magnetic flux can have any value; in specific situations, however, in superconductors of type II at very low temperatures, ? appears quantized in the form of fluxons (Abrikosov vortices). And $\mathfrak{h}$ leads, of course, to the Planck quantum h. Thus, one is directed to superconductivity and, because of the resistance, to the quantum Hall effect. In this way, the Josephson and the quantum Hall effects come into focus quite naturally. One goal is to determine the behavior of the fundamental constants in special and in general relativity.     

Large Magnetic Anisotropy Energy and Robust Half-Metallic Ferromagnetism in 2D MnXSe4 (X = As,Sb)

In recent years, intrinsic 2D magnetism has aroused great interest because of its potential application in spintronic devices. However, low Curie temperature (T_c) and magnetic anisotropy energy (MAE) limit its application prospects. Here, using first-principles calculations based on density-functional theory, a series of stable MnXSe₄ (X=As, Sb) single-layer is predicted. The MAE of single-layer MnAsSe₄ and MnSbSe₄ is 648.76 and 808.95 $\mu$eV per Mn atom, respectively. Monte Carlo simulations suggest the T_c of single-layer MnAsSe₄ and MnSbSe₄ is 174 and 250 K, respectively. The energy band calculation with hybrid Heyd–Scuseria–Ernzerhof (HSE06) function indicates the MnXSe₄ (X = As, Sb) is ferromagnetic half-metallic. Also, it has 100% spin-polarization ratio at the Fermi level. For MnAsSe₄ and MnSbSe₄, the spin-gaps are 1.59 and 1.48 eV, respectively. These excellent magnetic properties render MnXSe₄ (X = As, Sb) as promising candidate materials for 2D spintronic applications.     

The pressure broadening and shift for the J=1−0 line of CH3C14N: Resolved and overlapped hyperfine components

Summary Pressure broadening and shift parameters are measured for theJ=1−0 line of CH₃C¹⁴N at 18.4 GHz, both for the three hyperfine components and for the single line which envelopes the hyperfine components, observed at higher pressures (p≥40 mTorr). In agreement with theoretical predictions, these parameters are the same for all the observed lines: Γ _p = (50 ± 5) MHz/Torr,s=(7±2) MHz/Torr. These values are compared with previous measurements, showing a large variance expecially for the shift parameter. The measured broadening parameter is 40% lower than prediction of the Anderson theory.

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Riassunto Sono stati misurati i parametri di allargamento e spostamento per pressione della rigaJ=1−0 del CH₃C¹⁴N a 18.4 GHz. Tali misure sono state eseguite, sulle tre componenti iperfini e sul loro inviluppo osservato a pressionip≥40 mTorr. In accordo con le previsioni teoriche, questi parametri risultano gli stessi per tutte le righe osservate: Γ _p = (50 ± 5) MHz/Torr,s=(7±2) MHz/Torr. Questi valori sono confrontati con quelli delle precedenti misure che mostrano una considerevole dispersione, specialmente per quanto riguarda il parametro di spostamento. L'allargamento per pressione è risultato piú basso di quello previsto dalla teoria di Anderson di circa il 40%.

     

Nonlinear forward scattering of resonant laser light from excited neon systems

We investigate forward scattering induced by a powerful single mode dye laser interacting with excited neon systems. We present experimental data obtained with the three transitions: 1s ₄(J=1)-2p ₃(J=0), 1s ₂(J=1)-2p ₁(J=0), and 1s ₅(J=2)-2p ₄(J=2). The lineshape dependences on the gas pressure, the laser power and the laser field fluctuations are discussed in the context of published theories. Our data resemble the calculated lineshapes in which fluctuations in the interaction processes between atoms and laser fields are taken into account. In atomic systems having more complex level degeneracies [1s ₅(J=2)-2p ₄(J=2)] signal structures expected from higher order nonlinear coherences can occur. To theoretically reproduce these lineshapes a simple J=1J=0 model is fully appropriate provided that the level with J=1 has a narrow width.     

On the One-Dimensional Transition State Theory and the Relation between Statistical and Deterministic Oscillation Frequencies of Anharmonic Energy Wells

The transition state theory allows the development of approximated models useful to study the non-equilibrium evolution of systems undergoing transformations between two states (e.g., chemical reactions). In a simplified 1D setting, the characteristic rate constants are typically written in terms of a temperature-dependent characteristic oscillation frequency ${\nu }_s$, describing the exploration of the phase space. As a particular case, this statistical oscillation frequency ${\nu }_s$ can be defined for an arbitrary convex potential energy well. This value is compared here with the deterministic oscillation frequency ${\nu }_d$ of the corresponding anharmonic oscillator. It is proved that there is a universal relationship between statistical and deterministic frequencies, which is the same for classical and relativistic mechanics. The independence of this relationship from the adopted physical laws gives it an interesting thermodynamic and pedagogical meaning. Several examples clarify the meaning of this relationship from both physical and mathematical viewpoints.     

The Effects of an Impurity in an Ising‐XXZ Diamond Chain on Thermal Entanglement,on Quantum Coherence,and on Quantum Teleportation

The effects of an impurity plaquette on the thermal quantum correlations measurement by the concurrence, on quantum coherence quantified by the recently proposed l₁‐norm of coherence and on quantum teleportation in a Ising‐ $XXZ$ diamond chain are discussed. Such an impurity is formed by the $XXZ$ interaction between the interstitial Heisenberg dimers and the nearest‐neighbor Ising coupling between the nodal and interstitial spins. All the interaction parameters are different from those of the rest of the chain. By tailoring them, quantum entanglement and quantum coherence can be controlled and tuned. Therefore, the quantum resources—thermal entanglement and quantum coherence—of the model exhibit a clear performance improvement in comparison to the original model without impurities. It is demonstrated that quantum teleportation can be tuned by its inclusion. Thermal teleportation is modified in a significant way as well, and a strong increase in the average fidelity is observed. The exact solution is furnished by the use of the transfer‐matrix method.     

Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions

Zinc K-shell radiative and radiationless transition rates are calculated using the multiconfiguration Dirac–Fock method. Correlation up to the 4p orbital is included in almost all transition rate calculations. Calculated radiative transition rates and transition probabilities are compared with Scofield's Dirac–Hartree–Slater and Dirac–Hartree–Fock calculations, presenting good agreement with the later. Radiative transition intensity ratios involving the strongest lines are compared with theoretical, experimental, and empirical-fit values. Most ratios are in close agreement with the empirical-fit values from NIST's Fundamental Parameters database. Calculated radiationless transition rates and ratios are compared with Chen et al.'s Dirac–Fock values and Safronova et al.'s Dirac–Fock values. The K-LL transition rates are overall lower than Chen et al.'s values, whereas the K-LX and K-XY transition rates are overall higher. Calculated K-LX/K-LL and K-XY/K-LL ratios are relatively close to the experimental values compared. Some calculated intensities relative to K-L are in good agreement with the experimental values, whereas others present worse agreement. The calculated fluorescence yield is higher than all theoretical, experimental, and empirical-fitted values compared, probably because the total radiationless transition rate value calculated in the present work is relatively low.     

Finite nuclear size correction to vacuum polarization in hydrogen-like ions

The finite nuclear size corrections to the Dirac binding energy of an electron and to the vacuum polarization in hydrogen-like ions are considered. These corrections were calculated for the 1s _1/2, 2s _1/2, 2p _1/2, and 2p _3/2 states in a wide range of the nuclear charge Z = 1–100. The results obtained are compared with the available analytical data.     

Enhancement of the Quantum Coherence in a Hierarchical Environment System by Weak Measurement and Weak Measurement Reversal

The quantum coherence of a two-qubit system in which each qubit is coupled to its own hierarchical environment is studied. The effect of the hierarchical environment is explored in order to improve the coherence effectively. It is discovered that the dynamics of coherence can be manipulated by the number N of the second-layer cavities ($m_n$), the coupling strengths Ω₀, Ω, κ, respectively for the qubit-cavity (m₀), nearest-neighbor, and m₀-$m_n$ cavities. It depends also on the decay rate Γ of second-layer cavities. Furthermore, an effective scheme for enhancing coherence is proposed by using weak measurement and weak measurement reversal. The explicit conditions of the optimal measurement strengths to improve the coherence comparatively are derived. It is seen that the final stable value of the coherence is independent of the number N of second-layer cavities but is related to the weak measurement strength m when the coupling strength between two nearest-neighbor cavities is taken into account.     

Excitation cross sections of thulium atom transitions terminating at 4f13(2Fo)6s6p(3Po (7/2, J2) levels with J2 = 0, 1

The excitation of odd levels of the thulium atom, spontaneous transitions from which terminate at the 4f ¹³(² F ^o)6s6p(³ P ^o) (7/2, J ₂) levels with J ₂ = 0, 1, is studied by the method of extended crossing beams. Fifty four excitation cross sections are measured at an excitation electron energy of 50 eV. Seven optical excitation functions are recorded in the electron energy range of 0–200 eV.