Structural, Optical, and Magnetic Properties of Gd Doped CdTe Quantum Dots for Magnetic Imaging Applications

The effect of pressure on the electronic and optical properties of SrAl2O4 up to 25 GPa was studied by means of the pseudo-potential plane waves method within the generalized gradient approximation for exchange and correlation. The calculated lattice parameters are consistent with available experimental and theoretical data. By analyzing the electronic and optical properties, the pressure dependences of the electronic structures and optical constants were investigated. The band structures show an indirect band gap for this compound and the calculated band gaps expend with increasing pressure. Meanwhile, the optical properties including the dielectric spectra, absorption coefficient spectra, reflectivity, and the real part of the refractive index spectra in the low energy range have a blue shift. Given this, the optical properties of SrAl2O4 could be tuned by changing pressure to some degree, which is beneficial to the optical applications.

Thermal response of electronic, optical, mechanical properties, phonon frequencies, and sound velocity of InPxAsySb1-x-y/InAs quaternary semiconductor system

The temperature dependence of acoustic velocities, thermal properties, and phonon frequencies, mechanical, electronic, and optical properties for the InPxAsySb1-x-y/InAs system has been studied. The physical properties of the binary components InSb, InP, and InAs that constitute the quaternary alloy were used in this research. The study has been done using the empirical pseudo-potential method (EPM) under the virtual crystal approximation (VCA). The thermal properties, phonon frequencies, and acoustic velocities for the InPxAsySb1-x-y/InAs system under the effect of temperature have not been fully studied. Therefore, we have focused on these properties under the influence of temperature. Due to the lack of the published theoretical and experimental values on these properties, our findings will provide a significant reference for future experimental work.

Effect of Pressure on Electronic and Optical Properties of SrAl2O4

The effect of pressure on the electronic and optical properties of SrAl2O4 up to 25 GPa was studied by means of the pseudo-potential plane waves method within the generalized gradient approximation for exchange and correlation. The calculated lattice parameters are consistent with available experimental and theoretical data. By analyzing the electronic and optical properties, the pressure dependences of the electronic structures and optical constants were investigated. The band structures show an indirect band gap for this compound and the calculated band gaps expend with increasing pressure. Meanwhile, the optical properties including the dielectric spectra, absorption coefficient spectra, reflectivity, and the real part of the refractive index spectra in the low energy range have a blue shift. Given this, the optical properties of SrAl2O4 could be tuned by changing pressure to some degree, which is beneficial to the optical applications.

Ab initio adiabatic study of the AgH system

In the framework of the Born–Oppenheimer (BO) method, we illustrate our ab-initio spectroscopic study of the of silver hydride molecule. The calculation of 48 electrons for this system is very difficult, so we have been employed a pseudo-potential (P.P) to reduce the big number of electrons to two electrons of valence, which is proposed by Barthelat and Durant. This allowed us to make a configuration interaction (CI). The potential energy curves (PECs) and the spectroscopic constants of AgH have been investigated for Σ+, Π and Δ symmetries. We have been determined the permanent and transition dipole moments (PDM and TDM), the vibrational energies levels and their spacing. We compared our results with the available experimental and theoretical results in the literature. We found a good accordance with the experimental and theoretical data that builds a validation of the choice of our approach.

First-Principles Study of Mechanical and Thermodynamic Properties of Binary and Ternary CoX (X = W and Mo) Intermetallic Compounds

In this study, the structural, elastic, and thermodynamic properties of DO19 and L12 structured Co3X (X = W, Mo or both W and Mo) and μ structured Co7X6 were investigated using the density functional theory implemented in the pseudo-potential plane wave. The obtained lattice constants were observed to be in good agreement with the available experimental data. With respect to the calculated mechanical properties and Poisson’s ratio, the DO19-Co3X, L12-Co3X, and μ-Co7X6 compounds were noted to be mechanically stable and possessed an optimal ductile behavior; however, L12-Co3X exhibited higher strength and brittleness than DO19-Co3X. Moreover, the quasi-harmonic Debye–Grüneisen approach was confirmed to be valid in describing the temperature-dependent thermodynamic properties of the Co3X and Co7X6 compounds, including heat capacity, vibrational entropy, and Gibbs free energy. Based on the calculated Gibbs free energy of DO19-Co3X and L12-Co7X6, the phase transformation temperatures for DO19-Co3X to L12-Co7X6 were determined and obtained values were noted to match well with the experiment results.

Pitch angle scattering of an energetic magnetized particle by a circularly polarized electromagnetic wave

<p>The interaction between a circularly polarized electromagnetic wave and an energetic gyrating particle is described [1] using a relativistic pseudo-potential that is a function of the frequency mismatch,  a measure of the extent to which ω-k<sub>z</sub>v<sub>z</sub>=Ω/γ is not true. The description of this wave-particle interaction involves a sequence of relativistic transformations that ultimately demonstrate that the pseudo potential energy of a pseudo particle adds to a pseudo kinetic energy giving a total pseudo energy that is a constant of the motion. The pseudo kinetic energy is proportional to the square of the particle acceleration (compare to normal kinetic energy which is the square of a velocity) and the pseudo potential energy is a function of the mismatch and so effectively a function of the particle velocity parallel to the background magnetic field (compare to normal potential energy which is a function of position). Analysis of the pseudo-potential provides a means for interpreting particle motion in the wave in a manner analogous to the analysis of a normal particle bouncing in a conventional potential well.  The wave-particle  interaction is electromagnetic and so differs from and is more complicated than the well-known Landau damping of electrostatic waves.  The pseudo-potential profile depends on the initial mismatch, the normalized wave amplitude, and the initial angle between the wave magnetic field and the particle perpendicular velocity. For zero initial mismatch, the pseudo-potential consists of only one valley, but for finite mismatch, there can be two valleys separated by a hill. A large pitch angle scattering of the energetic electron can occur in the two-valley situation but fast scattering can also occur in a single valley. Examples relevant to magnetospheric whistler waves are discussed. Extension to the situation of a distribution of relativistic particles is presented in a companion talk [2].</p><p>[1] P. M. Bellan, Phys. Plasmas 20, Art. No. 042117 (2013)</p><p>[2] Y. D. Yoon and P. M. Bellan, JGR 125, Art. No. e2020JA027796 (2020)</p>

Rossby wave energy: a local Eulerian isotropic invariant

<p>Conservation laws relate the local<span>  </span>time-rate-of-change of the spatial integral of a density function to the divergence of its<span>  </span>flux through the boundaries of the integration domain. These provide integral constraints on the spatio-temporal development<span>  </span>of a field. Here we show<span>  </span>that<span>  </span>a new type of conserved quantity exists, that does not require integration over a particular domain but which holds locally,<span>  </span>at any point in the field.<span>  </span>This is derived for the pseudo-energy density of<span>  </span>nondivergent Rossby waves where<span>  </span>local invariance is obtained for (1) a single plane wave, and (2) waves produced by an impulsive point-source of vorticity.<span> </span></p><p>The definition of pseudo-energy used here<span>  </span>consists of a conventional kinetic part, as well as an unconventional pseudo-potential part, proposed by<span>  </span>Buchwald (1973).<span>  </span>The anisotropic nature of the nondivergent energy flux that appears in response to the point source further clarifies the role of the beta plane in the<span>  </span>observed western intensification of ocean currents.<span> </span></p>