Photoionization of 1s electron and corresponding shake-up process in ground and excited lithium atoms

The cross sections of the 18 electron photoionization and corresponding shake-up processes for Li atoms in the ground state 1s(2)2s and excited states 1s(2)2p, 1s(2)3p, 1s(2)3p and 1s(2)3d are calculated using the multi-configuration Dirac-Fock method. The latest experimental photoelectron spectrum at hv = 100 eV [Cubaynes D et al. Phys. Rev. Lett. 99 (2007) 213004] has been reproduced by the present theoretical investigation excellently. The relative intensity of the shake-up satellites shows that the effects of correlation and relaxation become more important for the higher excited states of the lithium atom, which are explained very well by the spatial overlap of the initial and final state wavefunctions. In addition, strong dependence of the cross section on the atomic orbitals of the valence electrons are found, especially near the threshold.

Observation of negative-parity high spin states of Cs-126

The nucleus Cs-126 was investigated by means of in-beam gamma-ray spectroscopy techniques using the Nordball detector system at the Niels Bohr Institute. Excited states of Cs-126 were populated via the Cd-116(N-14, 4n)Cs-126 reaction at a beam energy of 65 MeV. The Cs-126 level scheme was considerably extended, especially at negative parity and about 40 new levels and 70 new transitions were added into the level scheme. The previously reported negative-parity rotational bands, built on pi g(7/2)circle times nu h(11/2),pi d(5/2)circle times nu h(11/2),pi h(11/2)circle times nu g(7/2), and pi h(11/2)circle times nu d(5/2) configurations, have been extended and evolve into bands involving rotationally aligned (pi h(11/2))(2) and (nu h(11/2))(2) quasiparticles. Two new rotational bands have been tentatively assigned the pi h(11/2)circle times nu s(1/2) and pi g(9/2)circle times nu h(11/2) configurations, respectively

Fine structure of alpha decay to rotational states of heavy nuclei

To gain a better insight into alpha-decay fine structure, we calculate the relative intensities of alpha decay to 2(+) and 4(+) rotational states in the framework of the generalized liquid drop model (GLDM) and improved Royer's formula. The calculated relative intensities of a decay to 2(+) states are in good agreement with the experimental data. For the relative intensities of alpha decay to 4(+) states, a good agreement with experimental data is achieved for Th and U isotopes. The formula we obtain is useful for the analysis of experimental data of alpha-decay fine structure. In addition, some predicted relative intensities which are still not measured are provided for future experiments.

DFT/TDDFT Studies on the Electronic Structures and Spectral Properties of Rhenium(I) Pyridinybenzoimidazole Complexes

The electronic structures and spectral properties of three Re(I) complexes [Re(CO)(3)XL] (X = Br, Cl; L = 1-(4-5 '-phenyl-1.3,4-oxadiazolylbenzyl)-2-pyridinylbenzoimidazole (1), 1-(4-carbazolylbutyl)-2-pyridinylbenzoimidazole (2), and 2-(1-ethyl benzimidazol-2-yl)pyridi ne (3)) were investigated theoretically. The ground and the lowest lying triplet excited states were full optimized at the B3LYP/LANL2DZ and CIS/LANL2DZ levels, respectively. TDDFT/PCM calculations have been employed to predict the absorption and emission spectra starting from the ground and excited state geometries, respectively.

Theoretical investigation of 5D-metal monocarbide

Bond distances, vibrational frequencies, electron affinities, ionization potentials and dissociation energies of the title molecules in neutral, positively and negatively charged ions were studied by use of density functional method. The calculated results were compared with previous theoretical and experimental studies. Ground states for each molecule were assigned. It was found that for some molecules, low-lying state, in which the energy is much close to the ground state, was obtained. In this case, further studies both experimentally and theoretically are necessary in order to find the true global minimum.

STUDY ON THE PHENOMENA OF LASER-EXCITED POPULATION-CHANGE ON RES-ONANTLY TRANSITIONAL LOWER LEVEL AND ITS APPLICATION

Ⅰ. INTRODUCTIONLaser-excited atomic fluorescence spectrometry in hollow cathode discharge(HCD) has been widely used in the research field of laser spectroscopy in recent years. Similar to traditional method, information obtained in the researches was direct line nonresonance fluorescence arising from the resonantly transitional upper level. Attention has not been sufficiently paid to the phenomenon of population change on the resonantly transitional lower level due to laser irradiation of plasma in HCD,...

The calculation of photoelectron angular distributions with jet-like structure from scattering theory

Photoelectron angular distributions produced in above-threshold ionization (ATI) are analysed using a nonperturbative scattering theory. The numerical results are in good qualitative agreement with recent measurements. Our study shows that the origin of the jet-like structure arises from the inherent properties of the ATI process and not from the angular momentum of either the initial or the excited states of the atom.

Universal quantum computation with trapped ions in thermal motion by adiabatic passage

We propose a universal quantum computation scheme for trapped ions in thermal motion via the technique of adiabatic passage, which incorporates the advantages of both the adiabatic passage and the model of trapped ions in thermal motion. Our scheme is immune from the decoherence due to spontaneous emission from excited states as the system in our scheme evolves along a dark state. In our scheme the vibrational degrees of freedom are not required to be cooled to their ground states because they are only virtually excited. It is shown that the fidelity of the resultant gate operation is still high even when the magnitude of the effective Rabi frequency moderately deviates from the desired value.

Controllable Kerr nonlinearity with perfect transparency in the existence of spontaneously generated coherence

We investigate the Kerr nonlinearity of a V-type three-level atomic system where the upper two states decay outside to another state and hence spontaneous generated coherence may exist. It is shown that dark state and hence perfect transparency present under certain conditions. Meanwhile, the Kerr nonlinearity can be controlled by manipulation of the decay rates and the splitting of the two excited states. Therefore, enhanced Kerr nonlinearity without absorption can be obtained under proper parameters.

Mechanisms of ultrafast laser-induced deep-subwavelength gratings on graphite and diamond

Deep-subwavelength gratings with periodicities of 170, 120, and 70 nm can be observed on highly oriented pyrolytic graphite irradiated by a femtosecond (fs) laser at 800 nm. Under picosecond laser irradiation, such gratings likewise can be produced. Interestingly, the 170-nm grating is also observed on single-crystal diamond irradiated by the 800-nm fs laser. In our opinion, the optical properties of the high-excited state of material surface play a key role for the formation of the deep-subwavelength gratings. The numerical simulations of the graphite deep-subwavelength grating at normal and high-excited states confirm that in the groove the light intensity can be extraordinarily enhanced via cavity-mode excitation in the condition of transverse-magnetic wave irradiation with near-ablation-threshold fluences. This field enhancement of polarization sensitiveness in deep-subwavelength apertures acts as an important feedback mechanism for the growth and polarization dependence of the deep-subwavelength gratings. In addition, we suggest that surface plasmons are responsible for the formation of seed deep-subwavelength apertures with a particular periodicity and the initial polarization dependence. Finally, we propose that the nanoscale Coulomb explosion occurring in the groove is responsible for the ultrafast nonthermal ablation mechanism.

Judd-Ofelt intensity parameters of Er3+ doped mixed alkali aluminophosphate glasses

Lithium sodium mixed alkali aluminophosphate glasses of the composition xNa(2)O-(15-x)Li2O-4B(2)O(3)-11Al(2)O(3)-5BaO-65P(2)O(5) (where x=0, 3.75, 7.5, 11.25 and 15 mol%) containing 0.5 mol% Er2O3 were prepared by melt quenching. The absorption spectra of Er3+ were studied from the experimental oscillator strengths and the Judd-Ofelt intensity parameters were obtained. The variations of Judd-Ofelt intensity parameters (Omega(2), Omega(4) and Omega(6)), experimental oscillator strengths of certain excited states of Er3+ and hypersensitive band positions with different mixed alkali content have been discussed in detail. It was found that there were similar effects of mixed alkali on both Judd-Ofelt intensity parameter 02 and the experimental oscillator strength of the hypersensitive transition, I-4(15/2) -> H-2(11/2). No shifts in the peak wavelength of the studied transitions were found in different glasses. (c) 2006 Elsevier B.V. All rights reserved.

Analysis on fluorescence intensity reverse photonic phenomenon between red and green fluorescence of oxyfluoride nanophase vitroceramics

An interesting fluorescence intensity reverse photonic phenomenon between red and green fluorescence is investigated. The dynamic range. of intensity reverse between red and green fluorescence of Er( 0.5) Yb( 3): FOV oxyfluoride nanophase vitroceramics, when excited by 378.5nm and 522.5nm light respectively, is about 4.32 x 10(2). It is calculated that the phonon- assistant energy transfer rate of the electric multi- dipole interaction of {(4)G(11/2)( Er3+) -> F-4(9/2)( Er3+), F-2(7/2)( Yb3+). F-2(5/2)( Yb3+)} energy transfer of Er( 0.5) Yb( 3): FOV is around 1.380 x 10(8) s(-1), which is much larger than the relative multiphonon nonradiative relaxation rates 3.20 x 10(5) s(-1). That energy transfer rate for general material with same rare earth ion's concentration is about 1.194 x 10(5) s(-1). These are the reason to emerge the unusual intensity reverse phenomenon in Er( 0.5) Yb( 3): FOV. (C) 2007 Optical Society of America.

Stability against crystallization and spectroscopic properties of Tm3+ doped fluorophosphate glasses

Fluorophosphate glasses with various content of Al(PO3)(3) were prepared. With the increment of Al(PO3)(3) content, density decreases while refractive index increases, and transition temperature, crystallization peak temperature and melt temperature increase which were suggested by differential scanning calorimetry. These glasses exhibit the best stability against crystallization with 7-9 mol'Yo Al(PO3)(3) content. Normalized Raman spectra were used to analyze structure and phonon state. The increment of Al(PO3)(3) content does not affect phonon energy but results in the augment of phonon density. Absorption spectra were measured. H-3(6) -> F-3(4) transition exhibits absorption at L band of the third communication window. Compared with the energy of Tm3+ excited states in other glass system, F-3(4) energy of Tm3+ in these glasses is considerable higher and H-3(4) energy is considerable lower, and it can be predicted that emission band of H-3(4) -> F-3(4) transition is close to the amplified band of gain-shift Tm3+ doped fiber amplifier. Analyses of Judd-Ofelt theory suggest when Al(PO3)(3) content is no more than 7 mol%, Judd-Ofelt parameters Omega(t) and the lifetime of H-3(4) energy level of TM3+ vary little with the increment of Al(PO3)(3) content, and when Al(PO3)(3) content is more than 7 mol%, Omega(2) and Omega(6) increase and radiative lifetime of H-3(4) energy level of Tm3+ drops sharply with the increment of Al(PO3)(3) content. (c) 2006 Elsevier B.V. All rights reserved.

Optical transitions and upconversion luminescence of Er3+/Yb3+-codoped halide modified tellurite glasses

Er3+-doped halide modified tellurite glasses were synthesized by conventional melting and quenching method. The Judd-Ofelt analysis was performed on the absorption spectra and the transition probabilities, excited state lifetimes, and the branching ratios were calculated and discussed. The intense infrared and visible fluorescence spectra under 980 nm excitation were obtained. Strong upconversion signal was observed at pumping power as low as 30 mW in the glasses with halide ions. The upconversion mechanisms and power dependent intensities were discussed, which showed two-photon process are involved for the green and red emissions. The decay times of the emitting states and the corresponding quantum efficiency were determined and explained. (C) 2004 American Institute of Physics.

Effect of PbCl2 addition on structure, OH- content, and upconversion luminescence in Yb3+/Er3+-codoped germanate glasses

Yb3+/ Er3+-codoped oxychloride germanate glasses have been synthesized by a conventional melting and quenching method. Structural properties were obtained based on Raman-spectra investigation, indicating that PbCl2 plays an important role in the formation of the glass network and has an important influence on the phonon density and the maximum phonon energy. The Judd - Ofelt intensity parameters and quantum efficiencies were calculated based on the Judd - Ofelt theory and lifetime measurements. The enhanced upconversion luminescence intensity of Er3+ with increasing PbCl2 content could not be explained only by the maximum phonon-energy change of the host glasses. For the first time, the effect of PbCl2 addition on phonon density, OH- content, and upconversion luminescence in oxychloride glasses has been discussed and evaluated. The results show that the effect of phonon density and OH- content on upconversion luminescence in oxychloride glasses is much stronger than that of the decrease of the maximum phonon energy. The possible upconversion luminescence mechanisms have also been estimated and are discussed.