Influences of Mg^2＋ ion on dopant occupancy and upconversion luminescence of Ho^3＋ ion in LiNbO3 crystal

The effects of a Mg^2＋ ion on the dopant occupancy and upconversion luminescence of a Ho^3＋ ion in LiNbO3 crystal are reported. The birefringence gradient of the crystal is measured to investigate the optical homogeneity. The X-ray powder diffraction spectrum and the upconversion luminescence are used to investigate defect structure and spectroscopic properties of Mg,Ho：LiNbO3. Under 808-nm excitation, blue, red, and very intense yellow-green bands are observed. Based on the energy levels of Ho^3＋ in LiNbO3, and the pump intensity dependence of the observed emission, an excitation scheme is presented. The upconversion emission spectra reveal an enhancement of upconversion intensity when the Mg^2＋ ions are introduced into Ho：LiNbO3. The main upconversion mechanism is discussed in this work.     

Further Analysis of Neutron Double-Differential Cross Section of n ＋ ^16O at 14.1 MeV and 18 MeV

By using a new reaction model for light nuclei, the double-differential cross section of total outgoing neutron with LUNF code for n＋^16O reactions at En=14.1 MeV and 18 MeV have been calculated and analyzed. In this paper the opened reaction channels, which have contribution to emitting the neutrons, are listed in detail. To improve the fitting results the direct inelastic scattering mechanism is involved. The calculating results agree fairly well with the experimental data at E,~ = 14.1 MeV and the deviation from calculated results and experimental data in low energy region at En= 18 MeV has been analyzed. Since the possibility of 5He has been affirmed theoretically [J.S. Zhang, Sci. Chin. G 47 （2004） 137], so 5He emission from n＋ ^16O reaction is taken into account, which plays an important role at the region of the outgoing neutron energy εn〈3 MeV in total outgoing neutron energy-angular spectrum. The calculated results indicate that the pre-equilibrium mechanism dominates the whole reaction processes, and the recoil effect in light nuclear reactions is essentially important.     

Absolute Cross Sections for Near-Threshold Electron-Impact Excitation of the 2s^2S→2p^2P Transition of Li-Like C^3＋, N^4＋, and O^5＋ Ions

Excitation cross sections of 1s^22s ^2S1/2 → 1s^22p^2p1/2,3/2 transition among the fine-structure levels in Li-like C^3＋, N^4＋, and O^5＋ ions are calculated for energies of the near-threshold by using the relativistic distorted-wave program REIE06. The target state wavefunctions are calculated by using the Grasp92 code. The continuum orbitals are studied in the distorted-wave approximation, in which the direct and exchange potentials among all the electrons are included. The results of the Li-like C^3＋ ion settle the discrepancy between several previous experiments by using the crossed-beams fluorescence method, in good agreement with the measurements of Savin et al. Moreover, the results in Li-like N^4＋, and O^5＋ ions are compared with the previous experiments, and a good agreement is obtained.     

Optical parameters and energy levels splitting of Ho^3＋ in Ho^3＋： GdVO4

Ho^3＋ ： GdVO4 is a new laser material suitable for high-power laser systems. In this paper we measure the absorption spectra of Ho^3＋ in the sample Ho^3＋： GdVO4. The intensity parameters are calculated by using the Judd-Ofelt theory. Some predicted spectroscopic parameters, such as the spontaneous radiative transition rate, branching ratio and integrated emission cross section are dealt with. And we also compare the optical parameters with those of other materials. From these results, it is found that there are many transitions which have large oscillator strengths and large integrated emission cross sections. Especially the transitions such as ^5 F4 → ^5 I 8, ^5 S2→^5 I8, ^5 F5 → ^5 I8 and ^5 I7 →^ 5 I8 are useful in solid-state lasers and other fields. Finally, we discuss the splitting of the energy levels of Ho^3＋ in the crystal GdVO4 based on the group theory.     

2-um emission performance of Tm^3＋-Ho^3＋ co-doped tellurite glasses

The emission properties of 2-um region fluorescence of Tm^3＋-Ho^3＋ co-doped tellurite glasses are investigated. Introducing F- ions to the composition of tellurite glasses plays a positive effect on the 2-#m emission. A maximum intensity of 2-um emission is achieved when 1.5-mol% Tm2O3 and 1-mol% Ho203 concentration are doped in the glasses. The emission cross section and gain coefficient of the ^5I8-^5I7 transition of Ho^3＋ are calculated. The emission cross section has a maximum of 1.29×10-20 cm^2 at 2048 nm wavelength. The results indicate that Tm＆3＋-Ho^3＋ co-doped tellurite glasses are suitable for 2-um application.     

Effects of exchange interaction and spin-fluctuation on the magnetic and magneto-optic properties of NdF3

The exchange interaction between the electrons in the different magnetic ions and the spin-fluctuation of the magnetic ions exist in the paramagnetic media NdF3. The exchange interaction between the electrons in the different magnetic ions may be equivalent to an effective field Hin that is in direct proportion to the magnetization M. The spin-fluctuation of the magnetic ions leads the coefficient of the effective field to vary with temperature. The effective field is given as Hin = -（0.75 ＋ 0.22T） × 10^-5M in NdF3. When the secondary crystal field effect is taken into account, the magnetic susceptibility and Verdet constant are calculated for NdF3 by means of the effective field Hin and the applied field He. The calculated results are in agreement with the measured ones.     

Influence of Si^4＋ substitution on the temperature-dependent characteristics of YaAl5O12：Ce

A series of aAl5O12：Ce （YAG：Ce） phosphors doped with different Si4＋ concentrations is prepared by solid-state reaction. The temperature dependent characteristics of luminescent spectrum and decay time of Ce3＋ are investigated. With Si4＋ doped, the emission spectrum shows a blue shift clue to a decrease of the splitting of 5d levels of Ce3＋ ion. The thermal stability is greatly improved by adding Si4＋ because the activation energy AE increases from 0.1836 eV to 0.2401 eV. The study of the decay times against temperature for various doping concentrations of Si4＋ shows that the calculated nonradiative decay rate is affected by Si4＋ substitution. The results are explained by the configurational coordinate diagram.     

Differential Directed Flow of K+ Meson within Covariant Kaon Dynamics

The collective flow of positive charged kaons in heavy ion reactions at SIS energy is investigated within the frame of covariant kann dynamics. The theoretical results calculated by using quantum molecular dynamics show that the rapidity distribution of K^＋ mesons is more sensitive to the nuclear equation of state than the differential directed flow. The contribution of various K^＋ production reaction channels to the rapidity distribution of the K^＋ is also analysed in detail. The results indicate that the rapidity distribution of K^＋ mesons is mainly from the contribution of the N-△ and N-N channel. This means that the delta resonance state plays a predominantly important role for the K^＋ subthreshold production.     

The molecular structure and the analytical potential energy function of S2^- and S3^-

In this paper, the equilibrium geometry, harmonic frequency and dissociation energy of S2^- and S3^- have been calculated at QCISD/6-311＋＋G（3d2f） and B3P86/6-311＋＋G（3d2f） level. The S2^- ground state is of 2IIg, the S3^- ground state is of 2B1 and S3^- has a bent （C2v） structure with an angle of 115.65° The results are in good agreement with these reported in other literature. For S3^- ion, the vibration frequencies and the force constants have also been calculated. Base on the general principles of microscopic reversibility, the dissociation limits has been deduced. The Murrell-Sorbie potential energy function for S2^- has been derived according to the ab initio data through the least- squares fitting. The force constants and spectroscopic data for S2^- have been calculated, then compared with other theoretical data. The analytical potential energy function of S3^- have been obtained based on the many-body expansion theory. The structure and energy can correctly reappear on the potential surface.     

Semiclassical calculation of Rydberg He2^＋ molecular of recurrence spectra ion in a magnetic field

Making use of the molecular closed-orbit theory and a new model potential for the Rydberg molecule, we have calculated the recurrence spectra of He^2＋ molecular ion in a magnetic field for different quantum defects. The Fourier transform spectra of He^2＋ molecular ion may be used to perform a direct comparison between peaks in the spectra and the scaled action values of closed orbits of the excited electron in external fields. We find that the spectral modulations can be analysed in terms of the scattering of the excited electron on the molecular core. Unlike the case of the Rydberg atom where the elastic scattering is predominant, modulations produced by inelastic scattering are also vital to the photoabsorption spectrum of the Rydberg molecule. Our results are in good agreement with the quantum results, which suggests that our method is correct.     

HoIG中Ho3+离子低温下磁性各向异性现象的理论研究

基于量子理论计算了不同方向上HoIG中不同晶位上Ho3 离子的磁矩,继而求平均分别得到了[111],[110],[100]三个方向上在T=150～4.2K温度范围内HoIG中Ho3 离子的自发磁矩.计算结果显示Ho3 离子自发磁矩在低温下(T＜100K)明显出现了各向异性,并且随着温度的降低各向异性现象越来越明显,与实验结果符合较好,在理论上对HoIG中Ho3 离子自发磁矩在低温下出现各向异性现象做出了解释.     

Microstructural,magnetic and dielectric performance of rare earth ion (Sm3+)-doped MgCd ferrites

The combined effects of Sm$^{3+}$ substitution together with the addition of 3 wt% Bi$_{2}$O$_{3}$ endow MgCd ferrites with excellent magnetic permeability and dielectric permittivity. Various concentrations of Sm$^{3+}$ ($x = 0$, 0.03, 0.06, 0.09, 0.12 and 0.15) were employed to modify the permeability ($\mu'$) and permittivity ($\varepsilon'$) of the MgCd ferrites. X-ray diffraction, scanning electron microscopy (SEM), vibrating sample magnetometry and vector network analysis techniques were used to characterize the samples. The measurement results reveal that the ferrites processed a saturation magnetization of up to 36.8 emu/g and coercivity of up to 29.2 Oe via the conventional solid-state reaction method. The surface morphology SEM confirms that with increasing Sm$^{3+}$ concentration, the grain shape changes from a polygon to a circle. Moreover, the dielectric permittivity can reach a value of 23. The excellent properties obtained in Sm$^{3+}$-substituted Mg ferrites suggest that they could be promising candidates for modern high-frequency antenna substrates or multilayer devices.     

Spectroscopic investigation of a new crystal： Nd^3＋,Yb^3＋：YVO4

The absorption and emission spectra of the YVO4 single crystal co-doped with 1 at.% Nd^3＋ and 1 at.% Yb^3＋ are investigated. The efficient Nd^3＋ → Yb^3＋ energy transfer and the back transfer （Yb^3＋ → Nd^3＋） are observed at room temperature. The fluorescence lifetime of the 4F3/2 level of Nd^3＋ in Nd,Yb：YVO4 is measured under 808 nm laser light excitation. The efficiency of Nd^3＋ → Yb^3＋ energy transfer in YVO4 is determined to be about 34%.     

Transition energy and dipole oscillator strength for 1s22p-1s2nd of Cr2l+ ion

The transition energies, wavelengths and dipole oscillator strengths of 1s^22p-1s^2nd （3 ≤ n ≤ 9） for Cr^21＋ ion are calculated. The fine structure splittings of 1s^2nd （n ≤ 9） states for this ion are also calculated. In calculating energy, we have estimated the higher-order relativistic contribution under a hydrogenic approximation. The quantum defect of Rydberg series 1s^2nd is determined according to the quantum defect theory. The results obtained in this paper excellently agree with the experimental data available in the literature. Combining the quantum defect theory with the discrete oscillator strengths, the discrete oscillator strengths for the transitions from initial state 1s^22p to highly excited 1s^2nd states （n ≥ 10） and the oscillator strength density corresponding to the bound-free transitions are obtained.     

Luminescent characteristics of Tm3+/Tb3+/Eu3+ tri-doped Na5Y9F32 single crystals for white emission with high thermal stability

By using an improved Bridgman method, 0.3 mol% Tm$^{3+}/0.6$ mol% Tb$^{3+}/y$ mol% Eu$^{3+}$ ($y = 0$, 0.4, 0.6, 0.8) doped Na$_{5}$Y$_{9}$F$_{32}$ single crystals were prepared. The x-ray diffraction, excitation spectra, emission spectra and fluorescence decay curves were used to explore the crystal structure and optical performance of the obtained samples. When excited by 362 nm light, the cool white emission was realized by Na$_{5}$Y$_{9}$F$_{32}$ single crystal triply-doped with 0.3 mol% Tm$^{3+}/0.6$ mol% Tb$^{3+}/0.8$ mol% Eu$^{3+}$, in which the Commission Internationale de l'Eclairage (CIE) chromaticity coordinate was (0.2995, 0.3298) and the correlated color temperature (CCT) was 6586 K. The integrated normalized emission intensity of the tri-doped single crystal at 448 K could keep 62% of that at 298 K. The internal quantum yield (QY) was calculated to be $\sim 15.16$% by integrating spheres. These results suggested that the single crystals tri-doped with Tm$^{3+}$, Tb$^{3+}$ and Eu$^{3+}$ ions have a promising potential application for white light-emitting diodes (w-LEDs).     

Experimental realization of a spin-1/2 triangular-lattice Heisenberg antiferromagnet

We report the results of magnetization and specific heat measurements on Ba{3}CoSb{2}O{9}, in which the magnetic Co{2+} ion has a fictitious spin 1/2, and provide evidence that a spin-1/2 Heisenberg antiferromagnet on a regular triangular lattice is actually realized in Ba{3}CoSb{2}O{9}. We found that the entire magnetization curve including the one-third quantum magnetization plateau is in excellent quantitative agreement with the results of theoretical calculations. We also found that Ba{3}CoSb{2}O{9} undergoes a three-step transition within a narrow temperature range.     

Effect of lithium-potassium mixed alkali on spectroscopic properties of Er^3＋-doped aluminophosphate glasses

Er^3＋-doped lithium-potassium mixed alkali aluminophosphate glasses belonging to the oxide system xK2O-（15-x）Li2O-4B2O3-11Al2O3-5BaO-65P2O5 are obtained in a semi-continuous melting quenching process. Spectroscopic properties of Er^3＋-doped glass matrix have been analysed by fitting the experimental data with the standard Judd-Ofelt theory. It is observed that Judd-Ofelt intensity parameters Ωt（t = 2, 4 and 6） of Er^3＋ change when the second alkali is introduced into glass matrix. The variation of line strength Sed[^4I13/2,^4I15/2] follows the same trend as that of the/26 parameter. The effect of mixed alkali on the spectroscopic properties of the aluminophosphate glasses, such as absorption cross-section, stimulated emission cross-section, spontaneous emission probability, branching ratio and the radiative lifetime, has also been investigated in this paper.     

Comprehensive research about the cooperative up-conversion luminescence of the ytterbium-doped oxyfluoride vitroceramics

The cooperative up-conversion blue luminescence of Yb^{3+} ion-doped oxyfluoride vitroceramic material (Yb:FOV) and the influence of co-doped Ho^{3+} ion, when excited by a 960 nm diode-laser, are studied in this paper. A strong blue 479.1 nm up-conversion luminescence of the Yb:FOV material is discovered. It is found that the 479.1 nm luminescence results from the cooperative up-conversion of the coupled states of the Yb^{3+}－Yb^{3+} clusters formed by two adjacent Yb^{3+} ions. The measured cooperative up-conversion luminescence main peak 479.1 nm of this paper is different from the characteristic fluorescence main peak of the Tb^{3+} ion positioned at about 495－504 nm wave-range. Our result coincides with all the published correct papers, whose cooperative up-conversion luminescence main peaks of the direct Yb^{3+}－Yb^{3+} clusters are all positioned at about 476－480 nm wave-range. All of these indicate that the large cooperative up-conversion blue luminescence of the direct Yb^{3+}－Yb^{3+} clusters discovered in this paper is stable. It further proves that the cooperative up-conversion green luminescence may result from the Yb^{3+}-Tb^{3+} cooperative effect. In particular, the original work of this paper improves considerably on the traditional concept by the experimental facts that the blue 479.1 nm cooperative up-conversion luminescence strength of Yb(5):FOV is 230 times greater than that of fluoride glass Yb(3):ZBLAN. This is a great development to meet the practical requirements for blue up-conversion luminescence strength. This result indicates that the large cooperative up-conversion blue luminescence could be achieved excellently by using a suitable material, such as oxyfluoride vitroceramic, which provides a better chance to form better Yb^{3+}－Yb^{3+} clusters and has less relaxation to keep the more efficient up-conversion luminescence. It is also found that impurities seriously reduce the cooperative up-conversion luminescence intensity due to the cross-relaxation from the Yb^{3+}－Yb^{3+} clusters, which means that the cooperative up-conversion blue luminescence could be further improved by pure Yb^{3+} ion-doped materials that have as few impurities as possible to reduce the cross-relaxation. The large cooperative up-conversion blue luminescence of Yb(5):FOV also comes from its higher concentration (5 mol%) of activator Yb^{3+} ion which acts well because the cooperative up-conversion blue luminescence intensity varies linearly against the square of the concentration of Yb^{3+} ions in the range of 0.5－5 mol%. In summary, the great improvement of our work on cooperative up-conversion blue luminescence results from the comprehensive enhancement of the factors of better-coupled chance of the Yb^{3+}－Yb^{3+} clusters, less cross-relaxation, better concentration contribution of Yb^{3+} activator, non-saturation, and better up-conversion luminescence efficiency.     

Configurational entropy-induced phase transition in spinel LiMn2O4

The spinel-type LiMn$_{2}$O$_{4}$ is a promising candidate as cathode material for rechargeable Li-ion batteries due to its good thermal stability and safety. Experimentally, it is observed that in this compound there occur the structural phase transitions from cubic ($Fd\bar{3}m)$ to tetragonal ($I4_{1}/{amd}$) phase at slightly below room temperature. To understand the phase transition mechanism, we compare the Gibbs free energy between cubic phase and tetragonal phase by including the configurational entropy. Our results show that the configurational entropy contributes substantially to the stability of the cubic phase at room temperature due to the disordered Mn$^{3+}$/Mn$^{4+}$ distribution as well as the orientation of the Jahn-Teller elongation of the Mn$^{3+}$O$_{6}$ octahedron in the the spinel phase. Meanwhile, the phase transition temperature is predicted to be 267.8 K, which is comparable to the experimentally observed temperature. These results serve as a good complement to the experimental study, and are beneficial to the improving of the electrochemical performance of LiMn$_{2}$O$_{4}$ cathode.