The density functional theory is used to study MoSe2 and WSe2 bilayers. The calculated band structures show an indirect gap (Gamma-Q). The spin-orbit coupling and the interlayer hopping split the bands into sub-bands despite global degeneracy. The effective masses and Delta SO(k) are analyzed. A sign reversal in conduction band splitting between MoSe2 and WSe2 stems from the metal d and chalcogen p orbital competition. The valence splitting at K (0.245 and 0.477 eV) matches the experiment. WSe2 shows higher hybridization sensitivity. The results aid the spin-valley device design by quantifying the spin-dependent energy windows.
It has been shown by modeling that thermodynamics in the ordered state of a solution or liquid near the phase order-disorder transition temperature can implement a structured state. The result obtained leads to the conclusion that system anisotropy is necessary for the formation of low-stable structured states of solutions. In this case, the system anisotropy can be associated with a number of factors: an anisotropic interaction, a specific (for example, layered) system structure, and an anisotropic external field (for example, the dynamic load in the form of shaking or impacts). The structural units of different sizes have different free energy values. The approximation of this dependence by the Morse formula allows a temperature dependence of the average size of the structural unit to be constructed in the solution or liquid. The applied approximation allows also the impact of temperature on some characteristics of the structured ordered solution to be elucidated.
Spatiotemporal dynamics of the kinetic wind energy has been reanalyzed using results of 8‑day continuous minisodar measurements of three wind velocity components and their variances. Robust estimates of the total kinetic energy showed that the kinetic wind energy increased with altitude during the entire observation period. The results obtained demonstrate a clearly pronounced layer of enhanced kinetic energy, with maxima kinetic energy E_max^rob ∼ 4.4 m2/s2 observed at night, from 00:00 till 0200, GMT, and in the evening, E_max^rob 12.5 m2/s2, from 19:00–24:00 during the period of observations. Moreover, the diurnal changes in the altitude of the lower boundary hLB of this layer of enhanced kinetic energy, averaged over the observation period, first increased with time from about 45 m at 00:00, GMT, to 125 m at 12:00, GMT. Then during a certain transition time period that lasted 2–6 h depending on the weather conditions, it changed only slightly, and than started to decrease smoothly to hLB = 75 m at 24:00, GMT. The altitude of the upper boundary of this layer first increased with time from 50 to 200 m at noon and then decreased to 100 m. From 02:00–19:00, Erob in the lower layer did not exceed 1.5–2 m2/s2. Such diurnal behavior was observed during the entire 8‑day observation period.
It is well known that a good theory will make accurate predictions about the behavioral aspects of the phenomenon under study, suggesting experiments to test its overall explanatory power. The purpose of the present study is to provide an analysis of recent developments in the evaluation of atoms, molecules, and material structures using advanced quantum-mechanical and semiempirical theories. It is well known that Slater-type orbitals (NSTOs) with non-integer principal quantum numbers offer a more flexible basis set compared to their integer counterparts (ISTOs) in advanced quantum mechanical calculations. However, to the best of our knowledge, a comprehensive investigation and physical interpretation of this phenomenon have not yet been reported. Recent historical developments indicate that, from an application-oriented perspective, the internal structures of many microscopic and macroscopic systems under investigation exhibit fractal characteristics, suggesting a significant re-evaluation of their structural descriptions. Considering these facts, this study elucidates the physical nature underlying the effectiveness of non-integer quantum number basis functions. Evidence gathered from a wide range of applications reveals intrinsic relationships between advanced quantum theories and the fractal structure.
In this work, three types of 337.1 nm nitrogen laser controlled by Blumlein circuit are simulated using the Monte Carlo collision method: low pressure transverse excitation laser, transverse excitation atmospheric laser and atmospheric nitrogen laser of air. A wide range of electron-nitrogen collision types is taken into account, laser circuit components (resistance, inductance, capacitance) and electrode geometry (length, thickness and inter-electrode distance). The paper presents the temporal and axial evolution of the laser energy. Calculation results are in agreement with the experimental data. With the Monte Carlo Code, the results are anticipated before conducting the experiment.
