Magnetooptics of magnetic-dipole transitions in the rare-earth paramagnetic garnets

The Faraday effect (FE) of the rare-earth (RE) paramagnetic garnet crystals associated with magnetic-dipole (MD) transitions has been investigated theoretically over a wide temperature range 80 to 300 K. Over this temperature range, the ??gyromagnetic?? Verdet V _gm ^(m) of the Eu₃Ga₅O₁₂ (EuGG) is not a linear function of the magnetic susceptibility ?? measured along the [111] axis. We find that the nontrivial character of the temperature dependence of the MD Verdet constant V _gm ^(m) is associated with the presence of a contribution to the Faraday rotation of the Van Vleck ??mixing?? by an external magnetic field of the Eu³⁺ electronic states. The optical absorption and magnetic circular dichroism (MCD) of Eu³⁺ ion in EuGG at 85 K for the MD transition ⁷ F ₀ ?? ⁵ D ₁ were measured along the [111] axis. We show that the appearance of the MCD feature observed for the absorption line near 526.6 nm for the ⁷ F ₀ ?? ⁵ D ₁ MD absorption band may be well-explained by the contribution of Van Vleck ??mixing?? between the Stark singlet states from the ⁷ F ₀ and ⁷ F ₁ multiplet manifolds mixed by the external magnetic field H.     

Doubly charged ion mass spectra of organophosphorus compounds

Doubly charged ion mass spectra have been obtained for 11 organophosphorus compounds. Methane has been used as a target gas to increase the probability of single electron transfer collisions in the first field-free region of an Hitachi RMU-7L mass spectrometer. In general, the spectra of organophosphorus compounds do not exhibit molecular ions but are dominated by fragment ions, many of which must be formed by rearrangement processes. A geometry-optimized self-consistent field molecular orbital method has been employed to compute energies and structural parameters for prominent ions. In addition, a diabatic curve crossing model has been used to examine the single electron transfer reactions responsible for intense ions in the doubly charged ion mass spectra. Appearance energies measured for ions prominent in the 2E spectra of organophosphorus compounds have ranged from 23 to 38 eV.     

Ab initio calculations for large dielectric matrices of confined systems

Calculations for optical excitations in confined systems require knowledge of the inverse screening dielectric function epsilon(-1)(r,r(')), which plays a crucial role in determining exciton binding energies. We present a new efficient real-space method of inverting and storing large ab initio dielectric matrices of confined systems, which relies on the separability of epsilon matrix in r and r('). The method has allowed, for the first time, full ab initio calculation of epsilon(-1)(r,r(')) of dimension N approximately 270 000, and for quantum dots as large as Si35H36. The effective screening in Si quantum dots up to 1.1 nm in diameter is found to be very ineffective with average dielectric constants ranging from 1.1 to 1.4.     

Spectroscopic and magnetic susceptibility analyses of the FJ and D4 energy levels of Tb(4f) in TbAlO3

Detailed analyses of spectroscopic and temperature-dependent magnetic susceptibility data are reported for the crystal-field split energy levels of the ⁷F_J and ⁵D₄ of Tb³⁺ in stoichiometric single crystals of ortho-aluminate TbAlO₃. The spectroscopic data include absorption spectra obtained between 2940 and 480 nm from 8 to 300 K. High resolution fluorescence spectra are reported, representing transitions from ⁵D₄ to ⁷F_6,5,4, at a sample temperature of 85 K. Using crystal-field modeling techniques recently adapted for low symmetry systems, we have assigned all 58 experimental Stark levels within the ⁷F_J and ⁵D₄ manifolds, with a fitting standard deviation of 4.5 cm⁻¹ (3.8 cm⁻¹ rms error). As a further test, the theoretical Stark levels and calculated wavefunctions were used to determine the temperature dependence of the magnetic susceptibility along the c-axis of the TbAlO₃ crystal. Good agreement is obtained between the calculated susceptibility and temperature-dependent magnetic data reported earlier, including a prediction of a 0.2 cm⁻¹ splitting of the ground-state quasi-doublet. The susceptibility calculation also confirms the predicted ordering of states within the ⁷F₆ multiplet manifold.