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.     

Judd--Ofelt analysis of spectra and experimental evaluation of laser performance of Tm3+ doped Lu2SiO5 crystal

This paper reports that the Tm^3＋：Lu2SiO5 （Tm：LSO） crystal is grown by Czochralski technique. The roomtemperature absorption spectra of Tm：LSO crystal are measured on a b-cut sample with 4 at.% thulium. According to the obtained Judd-Ofelt intensity parameters Ω2=9.3155×10^-20 cm^2, Ω4=8.4103×10^-20 cm^2, Ω6=1.5908×10^-20 cm^2, the fluorescence lifetime is calculated to be 2.03 ms for ^3F4 → ^3H6 transition, and the integrated emission cross section is 5.81×10^-18 cm^2. Room-temperature laser action near 2μm under diode pumping is experimentally evaluated in Tm：LSO. An optical-optical conversion efficiency of 9.1% and a slope efficiency of 16.2% are obtained with continuouswave maximum output power of 0.67 W. The emission wavelengths of Tm：LSO laser are centred around 2.06μm with spectral bandwidth of -13.6 nm.     

Synthesis and characterization of Ca2Sn1-xCexO4 with blue luminescence originating from Ce^4＋ charge transfer transition

Ce^4＋-doped Ca2SnO4 with a one-dimensional structure, which emits bright blue light, is prepared by using a solid-state reaction method. The x-ray diffraction results show that the Ce^4＋ ions doped in Ca2SnO4 occupy the Sn^4＋ sites. The excitation and emission spectra of Ca2Sn1-xCexO4 appear to have broad bands with peaks at - 268nm and -442nm, respectively. A long excited-state lifetime （-83μs） for the emission from Ca2Sn1-xCexO4 suggests that the luminescence originates from a ligand-to-metal Ce^4＋ charge transfer （CT）. The luminescent properties of Ca2Snl_xCexO4 have been compared with those of Sr2CeO4, which is the only material reported so far to show Ce^4＋ CT luminescence. More interestingly, it is observed that the emission intensity of Ca2Sn1-xCexO4 with a small doping concentration （x - 0.03） is comparable to that of Sr2CeO4 in which the concentration of active centre is 100%.     

Isotopic effect of Cl2+ rovibronic spectra in the A-X system

This paper studies the isotopic effect of Cl2+ rovibronic spectra in the A2Πu(Ω=1/2) X 2Πg(Ω= 1/2) system.Based on the experimental results of the molecular constants of 35 Cl2+,it calculates the vibrational isotope shifts of the(2,7) and(3,7) band between the isotopic species 35 Cl+2,35 Cl 37 Cl+and 37 Cl2+,and estimates the rotational constants of both A 2 Π u and X 2 Π g states for the minor isotopic species 35 Cl 37 Cl+and 37 Cl2+.The experimental results of the spectrum of 35 Cl 37 Cl+(3,7) band proves the above mentioned theoretical calculation.The molecular constants and thus resultant rovibronic spectrum for 37 Cl2+ were predicted,which will be helpful for further experimental investigation.     

Magnetic properties and magnetocaloric effects in Tb6Co1.67Si3 compound

Magnetic properties and magnetocaloric effects of Tb₆Co_1.67Si₃ have been investigated by magnetization measurement. This compound is of a hexagonal Ce$_{6}$Ni$_{2}$Si$_{3}$-type structure with a saturation magnetization of 187\,emu/g at 5\,K and a reversible second-order magnetic transition at Curie temperature $T_{\rm C} = 186$\,K. A magnetic entropy change $\Delta S = 7$\,J\,$\cdot$\,kg$^{-1}$\,$\cdot$\,K$^{-1}$ is observed for a magnetic field change from 0 to 5\,T. A large value of refrigerant capacity (RC) is found to be 330\,J/kg for fields ranging from 0 to 5\,T. The large RC, the reversible magnetization around $T_{\rm C}$ and the easy fabrication make the Tb₆Co_1.67Si₃ compound a suitable candidate for magnetic refrigerants in a corresponding temperature range.     

Spin polarization effect for Os2 molecule

Density functional Theory （DFT） （B3p86） of Gaussian03 has been used to optimize the structure of Os2 molecule. The result shows that the ground state for Os2 molecule is 9-multiple state and its electronic configuration is ^9∑^＋g, which shows spin polarization effect of Os2 molecule of transition metal elements for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions with higher energy states. So, the fact that the ground state for Os2 molecule is a 9-multiple state is indicative of spin polarization effect of Os2 molecule of transition metal elements. That is, there exist 8 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Os2 molecule is minimized. It can be concluded that the effect of parallel spin of Os2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell-Sorbie potential functions with the parameters for the ground state ^9∑^＋g and other states of Os2 molecule are derived. Dissociation energy De for the ground state of Os2 molecule is 3.3971eV, equilibrium bond length Re is 0.2403nm, vibration frequency ωe is 235.32cm^-1. Its force constants f2, f3, and f4 are 3.1032×10^2aJ·nm^-2, -14.3425×10^3aJ·nm^-3 and 50.5792×10^4aJ·nm^-4 respectively. The other spectroscopic data for the ground state of Os2 molecule ωexe, Be and ae are 0.4277cm^- 1, 0.0307cm^- 1 and 0.6491 × 10^-4cm^-1 respectively.     

Judd-Oflet analysis of spectrum and laser performance of Ho：YAP crystal end-pumped by 1.91μm Tm：YLF laser

The Ho:YAP crystal is grown by the Czochralski technique.The room temperature polarized absorption spectra of Ho:YAP crystal was measured on a c cut sample with 1 at% holmium.According to the obtained Judd-Ofelt intensity parameters Ω2 = 1.42 × 10-20 cm2,Ω4 = 2.92 × 10-20 cm2,and Ω6 = 1.71 × 10-20 cm2,this paper calculated the fluorescence lifetime to be 6 ms for 5I7 →5 I8 transition,and the integrated emission cross section to be 2.24×10-18 cm2.It investigates the room temperature Ho:YAP laser end pumped by a 1.91 μm Tm:YLF laser.The maximum output power was 4.1 W when the incident 1.91 μm pump power was 14.4 W.The slope efficiency is 40.8%,corresponding to an optical to optical conversion efficiency of 28.4%.The Ho:YAP output wavelength was centred at 2118 nm with full width at half maximum of about 0.8 nm.     

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%.     

Spin polarization effect for molecule Ta2

Density functional theory （DFT） （B3p86） has been used to optimize the structure of the molecule Ta2. The result shows that the ground state of molecule Ta2 is a 7-multiple state and its electronic configuration is ^7∑u^＋, which shows the spin polarization effect for molecule Ta2 of transition metal elements for the first time. Meanwhile, spin pollution has not been found because the wavefunction of the ground state does not mix with those of higher states. So, the fact that the ground state of molecule Ta2 is a 7-multiple state indicates a spin polarization effect of molecule Ta2 of the transition metal elements, i.e. there exist 6 parallel spin electrons and the non-conjugated electrons are greatest in number. These electrons occupy different space orbitals so that the energy of molecule Ta2 is minimized. It can be concluded that the effect of parallel spin of the molecule Ta2 is larger than the effect of the conjugated molecule, which is obviously related to the effect of d-electron delocalization. In addition, the Murrell-Sorbie potential functions with parameters for the ground state ^7∑u^＋ and other states of the molecule Ta2 are derived. The dissociation energy De, equilibrium bond length Re and vibration frequency we for the ground state of molecule Ta2 are 4.5513eV, 0.2433nm and 173.06cm^-1, respectively. Its force constants f2, f3 and f4 are 1.5965×10^2aJ.nm^-2, -6.4722×10^3aJ·nm^-3 and 29.4851×10^4aJ·nm^-4, respectively. Other spectroscopic data we xe, Be and αe for the ground state of Ta2 are 0.2078cm^-1, 0.0315 cm^-1 and 0.7858×10^-4 cm^-1, respectively.     

Green and red up-conversion emissions and thermometric application of Er^3＋-doped silicate glass

The green and red up-conversion emissions centred at about 534, 549 and 663 nm of wavelength, corresponding respectively to the ^2H11/2 → ^4I15/2, ^4S3/2 → ^4I15/2 and ^4F9/2 → ^4I15/2 transitions of Er^3＋ ions, have been observed for the Er^3＋-doped silicate glass excited by a 978 nm semiconductor laser beam. Excitation power dependent behaviour of the up-conversion emission intensity indicates that a two-photon absorption up-conversion process is responsible for the green and red up-conversion emissions. The temperature dependence of the green up-conversion emissions is also studied in a temperature range of 296-673 K, which shows that Er^3＋-doped silicate glass can be used as a sensor in high-temperature measurement.     

Green and red up-conversion emissions and thermometric application of Er3+-doped silicate glass

The green and red up-conversion emissions centred at about 534, 549 and 663\,nm of wavelength, corresponding respectively to the ${^{2}}H_{11 / 2} \to {^{4}}I_{15 / 2}$, ${^{4}}S_{3 / 2} \to {^{4}}I_{15 / 2}$ and ${^{4}}F_{9 / 2} \to {^{4}}I_{15 / 2}$ transitions of Er$^{3 + }$ ions, have been observed for the Er$^{3 + }$-doped silicate glass excited by a 978\,nm semiconductor laser beam. Excitation power dependent behaviour of the up-conversion emission intensity indicates that a two-photon absorption up-conversion process is responsible for the green and red up-conversion emissions. The temperature dependence of the green up-conversion emissions is also studied in a temperature range of 296--673\,K, which shows that Er$^{3 + }$-doped silicate glass can be used as a sensor in high-temperature measurement.     

Preparation and luminescence characteristics of Eu^2＋ activated silicate phosphor

This paper synthesizes the Sr2SiO4：Eu^2＋ phosphor by high temperature solid-state reaction. The emission spectrum of Sr2SiO4 ： Eu^2＋ shows two bands centred at 480 and 547 nm, which agree well with the calculation values of emission spectrum, and the location of yellow emission of Sr2SiO4 ： Eu^2＋ is influenced by the Eu^2＋ concentration. The excitation spectrum for 547 nm emission has two bands at 363 and 402 nm. The emission spectrum of white light emitting diodes （w-LEDs） based on Sr2SiO4 ： Eu^2＋ phosphor ＋ InGaN LED was investigated.     

Spontaneous magnetostriction of Y2Fe16Al compound

The structure and magnetic properties of Y₂Fe₁₆Al compound have been investigated by means of x-ray diffraction and magnetization measurements. The Y₂Fe Fe₁₆Al compound has a hexagonal Th$_{2}$Ni$_{17}$-type structure. Negative thermal expansion was found in Y₂Fe₁₆Al compound in the temperature range from 332 to 438K by x-ray dilatometry. The coefficient of the average thermal expansion is \alpha =-3.4\times 10^-5K^-1. The spontaneous magnetostrictive deformations from 293 to 427K have been calculated based on the differences between the experimental values of the lattice parameters and the corresponding values extrapolated from the paramagnetic range. The result shows that the spontaneous volume magnetostrictive deformation \textit{$\omega $}$_{\rm S}$ decreases from 5.4$\times $10^-3to near zero with temperature increasing from 293 to 427K, the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm c}$ along the $c$ axis is much larger than the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm a}$ in basal-plane in the same temperature range except near 427K.     

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.     

Enhanced optical nonlinear absorption of graded Au--TiO2 composite films

This paper reports that single-layer and graded Au-TiO2 granular composite films with Au atom content 15%- 66% were prepared by using reactive co-sputtering technique. The third-order optical nonlinearity of single-layer and graded composite films was investigated by using s- and p-polarized Z-scans in femtosecond time scale. The nonlinear absorption coefficient βeff of single-layer Au-TiO2 films is measured to be -2.3×10^3-0.76×10^3 cm/GW with Au atom content 15%-66%. The βeff value of the 10-layer Au-TiO2 graded film is enhanced to be -2.1×10^4cm/GW calculated from p-polarized Z-scans, which is about ten times the maximum βeff of single-layer films. Broadened response in the wavelength region 730-860 nm of the enhanced optical nonlinearity of graded Au-TiO2 composite films was also investigated.     

Dy2 AlFe13 Mn3 化合物的本征磁致伸缩

通过X-射线衍射及磁测量手段研究了Dy2AlFe13Mn3化合物的结构及磁性质。研究结果表明Dy2AlFe13Mn3化合物具有六角相的Th2Ni17型结构。通过X-射线热膨胀测定法发现Dy2AlFe13Mn3化合物在245到344K的温度范围内存在负热膨胀现象，其平均热膨胀系数为α＝-1.1×10-4K-1K-1。在105到360K的温度范围内，通过比较磁性状态下的晶胞参数和由高温顺磁状态外延得到的低温顺磁状态下的晶胞参数间的差别计算了Dy2AlFe13Mn3化合物的本征磁致伸缩。结果表明Dy2AlFe13Mn3化合物的本征体磁致伸缩ωS在105到245K的温度范围内随着温度的升高而增大，由105K时的7.0×10-3 增加到245K时的9.1×10-3。随着温度的进一步升高，ωS反而减小。沿c轴方向的本征线磁致伸缩λc随着温度的升高而减小。基面内的本征线磁致伸缩λa在105到270K的温度范围内随着温度的升高而增大，从105K时的0.8×10-3增大到270K时的3.4×10-3，然后随着温度的进一步升高而减小。     

Nonlinear optical properties of [（CH3）4N]Au（dmit）2 using Z-scan technique

The third-order optical nonlinearities of [（CH3）4N]Au（dmit）2 （dmit = 4,5-dithiolate-1,3-dithiole-2-thione） at 532 nm and 1064 nm are investigated using the Z-scan technique with pulses of picoseconds duration. The Z-scan spectra reveal a strong nonlinear absorption （reverse saturable absorption） and a negative nonlinear refraction at 532 nm. No nonlinear absorption is observed at 1064 nm. The molecular second-order hyperpolarizability γ for the [（CH3）4N]Au（dmit）2 molecule at 532nm is estimated to be as high as （2.1 ±0.1） × 10^-31 esu, which is nearly three times larger than that at 1064 nm. The mechanism responsible for the difference between the results is analysed. Nonlinear transmission measurements suggest that this material has potential applications in optical limiting.     

Ultraviolet and visible upconversion dynamics in Er^3＋：YAlO3 under ^2H11/2 excitation

The luminescence of Er^3＋：YAlO3 in ultraviolet visible and infrared ranges under the 518 nm excitation of the multiples ^2H11/2 have been investigated. Ultraviolet （275 nm and 318 nm）, violet （405 nm and 413 nm） and blue （474 nm） upconversion and infrared downconversion luminescence has been observed. By means of measuring the fluorescence decay curves and using the theory of rate equations, the luminescence kinetics was studied in detail and the processes of energy transfer upconversion （ETU） and excitation state absorption （ESA） were proposed to explain the upconversion phenomena.     

A first-principles study of the catalytic mechanism of the dehydriding reaction of LiNH2 through adding Ti catalysts

Experiments on a ball milled mixture with a 1:1 molar ratio of LiNH2 and LiH with a small amount(1 mol %) of Ti nano,TiCl3 and TiO nano 2 have revealed a superior catalytic effect on Li-N-H hydrogen storage materials.In the x-ray diffraction profiles,no trace of Ti nano,TiCl3 and TiO nano 2 was found in these doped composites,by which we deduced that Ti atoms enter LiNH2 by partial element substitution.A first-principles plane-wave pseudopotential method based on density functional theory has been used to investigate the catalytic effects of Ti catalysts on the dehydrogenating properties of LiNH2 system.The results show that Ti substitution can reduce the dehydrogenation reaction activation energy of LiNH2 and improve the dehydrogenating properties of LiNH2.Based on the analysis of the density of states and overlap populations for LiNH2 before and after Ti substitution,it was found that the stability of the system of LiNH2 is reduced,which originates from the increase of the valence electrons at the Fermi level(EF) and the decrease of the highest occupied molecular orbital(HOMO)-lowest unoccupied molecular orbital(LUMO) gap(△EH-L) near E F.The catalytic effect of Ti on the dehydrogenating kinetics of LiNH2 may be attributed to the reduction of average populations between N-H per unit bond length(nm-1),which leads to the reduction of the chemical bond strength of N-H.     

Synthesis, structure and antiferromagnetic behaviour of brannerite MnV2O6

Brannerite MnV 2 O 6 with plate-like shape is successfully synthesized by hydrothermal method.Its crystal structure and morphology are investigated by x-ray diffraction (XRD),scanning electron microscopy (SEM),transmission electron microscope (TEM),high resolution transmission electron microscopy (HRTEM) and select area electronic diffraction (SAED).The results show that the brannerite MnV 2 O 6 with monoclinic structure has a uniform plate-like shape with a diameter of about 5-8 μm and a thickness of about 500 nm.SAED patterns further confirm the structure of the brannerite MnV 2 O 6 and the single crystalline character of the plate crystal.Magnetic properties are measured by superconducting quantum interference device (SQUID) in a temperature range of 2-300 K under a magnetic field of 1 T.The magnetic measurement results indicate that the material undergoes an antiferromagnetic transition with a N’eel temperature of 17 K.Above 50 K,the inverse susceptibility is fitted well to the Curie-Weiss law with a calculated moment of 5.98 μ B.Finally,the origin of antiferromagnetic behaviour in the brannerite MnV 2 O 6 is explained by means of Anderson model.