Optical properties of Tm,Mg:LiTaO3 laser crystal

A Tm, Mg co-doped LiTaO₃ crystal has been grown by Czochralski method. Room temperature polarized absorption spectra and fluorescence spectrum of the Tm, Mg:LiTaO₃ crystal were measured and analyzed. The maximum absorption cross-section is 6.0791 × 10⁻²⁰ cm² at around 790 nm with full width at half maximum of 5 nm. The emission cross-section of ³ F ₄ manifold was 2.2 × 10⁻²⁰ cm². The spectroscopic parameters of Tm³⁺ ion were calculated by applying the Judd-Ofelt approach, and the intensity parameters Ω₂, Ω₄, and Ω₆ were obtained to be 7.71 × 10⁻²⁰, 1.09 × 10⁻²⁰, and 1.16 × 10⁻²⁰ cm², respectively. The branching ratios and radiative lifetimes were also presented and the radiative lifetime of Tm^{3+ 3} F ₄ → ³ H ₆ transition is 968.3 μs. The results were also analyzed and compared with other Tm³⁺ doped hosts.     

First-principles prediction of crystal structure and physical properties of ScB3

The crystal structure of ScB₃ is seeked by combining the developed particle swarm optimisation algorithm for crystal structure prediction with first-principles calculations. A new monoclinic phase with the C2/m symmetry is predicted successfully, which is energetically more superior to the early reported R-3m-, P2₁/m-, P6₃/mmc-, P-6m2-, Pnma-, and Pm-3m-type structures in the pressure range from 0 to 100?GPa. The obtained elastic constants and phonon dispersion curve reveal that the C2/m-ScB₃ is mechanically and dynamically stable. The predicted large bulk module, high shear modulus, small Poisson’s ratio as well as the considerable hardness indicate that the C2/m-ScB₃ has outstanding mechanical property. Meanwhile, the dependences of the bulk modulus and Young’s modulus of ScB₃ on the crystal orientation are investigated theoretically. Through applying the strain–stress method, the ideal tensile and shear strengths along different crystal directions are also estimated, and the obtained results confirm that the shear mode dominates the failure mode in the C2/m-ScB₃ structure and it is intrinsically a hard material. The electronic structure calculation and chemical bonding analysis illustrate that the strong covalent B-B and Sc-B bonds are responsible for its structural stability and high hardness.     

Growth and spectral properties of Tm3+-doped NaGd(WO4)2 crystal

Thulium doped sodium gadolinium tungstate crystals with sizes of about 20 mm×45 mm were grown successfully by the Czochralski technique along the (001) orientation. X-ray powder diffraction (XRD) of sodium gadolinium tungstate was described and the linear thermal expansion coefficients for the c- and a-axes were measured as 1.60×10^-5 and 7.89×10^-6 °C^-1. Polarized absorption spectra, and fluorescence spectra, as well as fluorescence decay curves of Tm³⁺-doped NaGd(WO₄)₂, have been recorded at room temperature and used to calculate the absorption and stimulated emission cross-sections. Based on the Judd–Ofelt theory, three intensity parameters were obtained. The luminescent quantum efficiency of the ³ H ₄ level was determined to be approximately 65% for this material. The emission cross-section of the ³ F ₄→³ H ₆ IR transition at about 1.8 μm was estimated by the reciprocity method. PACS 78.55.Hx; 65.40.De; 78.20.-e     

Crystal growth, spectroscopic and laser properties of Tm:LuAG crystal

Tm:Lu₃Al₅O₁₂ (Tm:LuAG) crystal was grown by the Czochralski method. The segregation coefficient was measured by Inductively Coupled Plasma Atomic Emission Spectrometer. The cell parameters were analyzed with X-ray powder diffraction experiments. The absorption and fluorescence spectra of Tm:LuAG crystal at room temperature were investigated. With a 20 W fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Tm:LuAG crystal was demonstrated. The maximum output power at 2020 nm was obtained to be 3.04 W, and the slope efficiency was 25.3%.     

Spectroscopic properties of Tm,Ho:LiLuF_4

LiLuF4 single crystals co-doped with thulium （5%） and holmium （0.5%）, having large size, intact shape, and high optical quality, are successfully grown by the Czochralski technique. Absorption and fluorescence spectra of the crystal are measured. The absorption spectrum shows that the main absorption band locates at near 686 and 792 nm and the fluorescence spectrum peaks at 2.05 um. At room temperature, the as-grown Tin, Ho： LiLuF4 single crystals are end-pumped by a fiber-coupled laser diode system with pumping wavelength of 795 nm under CW operations. A power of 50 mw contin- uous laser outout at 2.05-um wavelength is achieved. Meanwhile an obvious green light is detected.     

(BEDT-TTF)[FeBr4]晶体的制备及其物理性质的研究

利用电化学结晶的方法制备了高质量的(BEDT-TTF)[FeBr₄]单晶, 通过四圆单晶衍射确定了其晶体结构为三斜晶系. 在高温区, 晶体电阻率与电子的热激发效率以及载流子受电离杂质散射的强弱有关. 在低温区, 晶体的导电性只依赖体内杂质缺陷等的电离. 由于电子受到Lorentz力的作用增加了与晶格的碰撞次数, 晶体的磁阻率表现为正值. 晶体的磁性主要由三价铁离子决定, 晶体中三价铁离子之间不具有铁磁耦合或反铁磁耦合. 电子顺磁共振谱中同时发现πup 电子和d电子的共振信号, 温度降低可使πup 电子和d电子的耦合作用增强, 晶体沿着不同轴旋转, 其共振信号随旋转角度的变化存在着巨大的差异.     

Spectroscopic properties of Tm3+/Ho3+ co-doped NaLa(WO4)2 single crystal

Tm³⁺/Ho³⁺ co-doped NaLa(WO₄)₂ single crystal was successfully grown by the Czochralski method. The crystal was characterized by room temperature absorption spectra, fluorescence spectra around 2 μm, up-conversion fluorescence and luminescence decay measurements. Spectroscopic properties related to the laser operation around 2 μm of Ho³⁺ ions have been evaluated. The energy level scheme and energy transfer processes of Tm³⁺ and Ho³⁺ were analyzed. The obtained spectroscopic results show the crystal is a potentially host for Ho³⁺ 2 μm infrared laser.     

Relaxation of excited states of Tm3+ and Tm3+-Eu3+ energy transfer in YVO4 crystal

Tm³⁺-Eu³⁺ energy transfer processes and relaxation dynamics of the ³ H ₄ and ³ F ₄ excited states of Tm³⁺ ions in 1 at. % Tm³⁺, 5 at. % Eu³⁺:YVO₄ single crystal were studied. Contribution of Tm³⁺-Eu³⁺ energy transfer reduces effectively the lifetime of terminal level in a potential ³ H ₄–³ F ₄ laser transition at around 1.48 μm. Adverse quenching of the ³ H ₄ emission by Eu³⁺ ions is found to be less efficient than that reported for Tm³⁺ + Tb³⁺ system in YVO₄. The classical Inokuti–Hirayama model accounts well for an experimental decay curve of the ³ H ₄ emission recorded for co-doped crystal. Stimulated emission cross section for ³ H ₄–³ F ₄ transition of Tm³⁺ at around 1.48 μm was analyzed taking into account the anisotropy of YVO₄ crystal. PACS 42.55.Xi; 42.62.Fi     

Preparation and crystal structure of C60S16

A new fullerene-containing van der Waals-compound, C₆₀S₁₆, has been synthesized and its crystal structure determined from single-crystal X-ray diffraction data collected at room temperature. The compound is monoclinic, space group C 2/c with a=20.867(4) Å, b=21.062(4) Å, c=10.508(2) Å, =111.25(7)° and four formula units per cell. The C₆₀ molecules form a three-dimensional framework with one-dimensional channels along c which contain crown-shaped S₈ rings. The structure has been determined by direct methods and has been refined to atomic resolution on the C₆₀ molecule. The two independent C-C bond distances, averaged under the idealized point symmetry of the free C₆₀ molecule, amount to 1.340(8) Å and 1.448(8) Å, corresponding to a bond alternation as large as 0.108(8) Å. The bond lengths are compared with the results of theoretical calculations of the molecular structure of C₆₀ as well as with bond lengths from various experimental sources.     

First-principles investigations of the structure and physical properties for new TcN crystal structure

Using a newly developed particle swarm optimisation technique on crystal structural prediction, we have predicted an orthorhombic Imm2 structure for TcN crystal, which is energetically much superior to the previously proposed NbO-type and R-3m structures. The new phase is stable against decomposition into the mixture of Tc and N at ambient condition. The stability is confirmed by the subsequent calculations on the phonon dispersion curves and elastic constants. An analysis of the mechanical properties indicates that Imm2-TcN is incompressible and common hard material. The evidence of strong covalent bonding of Tc-N, which plays a leading role to form a hard material, is manifested by the partial densities of state analysis. In addition, the thermodynamic properties, such as Debye temperature, heat capacity, thermal expansion coefficient, and Grüneisen parameter of TcN are investigated by the quasi-harmonic Debye model.     

Studies of structure, thermal, and electrical properties for Cs 5 H 3 (SO 4 ) 4 crystal

Electrical conductivity, differential scanning calorimetry, and X-ray diffraction measurements were performed on a pentacesium trihydrogen tetrasulfate, Cs₅H₃(SO₄)₄, crystal. The transition entropy at a superionic phase transition and the activation energy of proton migrations in the superionic phase were determined to be 58.2 J K⁻¹ mol⁻¹ and 0.48 eV, respectively. The crystal structure of Cs₅H₃(SO₄)₄ at room temperature was refined. The electrical conduction in Cs₅H₃(SO₄)₄ was discussed with the refined structure.     

Spectroscopic properties and structure of the ErFe3(BO3)4 single crystal

Single crystals of the ErFe₃(BO₃)₄ borate were synthesized and their structure was studied. Absorption spectra of the Er³⁺ ion in σ- and π-polarizations of f-f transitions ⁴ I _15/2 → ⁴ I _13/2, ⁴ I _11/2, ⁴ I _9/2, ⁴ F _9/2, ⁴ S _3/2, ² H _11/2, and ⁴ F _7/2 were measured. The refractive index and birefringence were measured as a function of the wavelength. The transition intensities were analyzed within the Judd-Ofelt theory, and the following parameters of the theory were obtained: Ω₂ = 7.056 × 10^?20 cm², Ω₄ = 1.886 × 10^?20 cm², and Ω₆ = 2.238 × 10^?20 cm². Using these parameters, the radiative transition probabilities, luminescence branching ratios, and radiative lifetimes of multiplets were calculated.     

Advanced piezoelectric crystal Ca3TaGa3Si2O14: growth,crystal structure perfection,and acoustic properties

A five-component crystal of the lanthanum–gallium silicate family Ca₃TaGa₃Si₂O₁₄ (CTGS) was grown by the Czochralski method. The CTGS crystal, like the langasite crystal (La₃Ga₅SiO₁₄, LGS), possesses unique temperature properties and the fewer number of the Ga atoms in the unit cell makes the density much lower and, consequently, increases the velocity of acoustic wave propagation. The unit-cell parameters were determined by the powder diffraction technique. The defects in the CTGS crystal structure were studied by X-ray topography, which enables the visualization of growth banding characteristics of crystals grown by the Czochralski method. Surface acoustic wave (SAW) propagation in the CTGS crystal was investigated by the high-resolution X-ray diffraction method on the BESSY II synchrotron radiation source. The velocities of propagation and power flow angles of SAWs in the Y- and X-cuts of the CTGS crystal were determined from the X-ray diffraction spectra.     

First-principles calculations on crystal structure and physical properties of rhenium dicarbide

Structural stability, elastic behavior, hardness, and chemical bonding of ideal stoichiometric rhenium dicarbide (ReC₂) in the ReB₂, ReSi₂, Hex-I, Hex-II, and Tet-I structures have been systematically studied using first-principles calculations. The results suggest that all these structures are mechanically stable and ultra-incompressible characterized by large bulk moduli. Formation enthalpy calculations demonstrated that they are metastable under ambient conditions, and the relative stability of the examined candidates decreases in the following sequence: Hex-I>Hex-II>ReB₂>Tet-I>ReSi₂. The hardness calculations showed that these structures are all hard materials, among which the Hex-I exhibits the largest Vickers hardness of 32.2 GPa, exceeding the hardness of α-SiO₂ (30.6 GPa) and β-Si₃N₄ (30.3 GPa). Density of states and electronic localization function analysis revealed that the strong C–C and C–Re covalent bonds are major driving forces for their high bulk and shear moduli as well as small Poisson's ratio.     

New crystal structure and physical properties of TcB from first-principles calculations

By combining first-principles calculations with the particle swarm optimization algorithm, we predicted a hexagonal P ˉ3m1 structure for Tc B, which is energetically more favorable than the previously reported WC-type and Cmcm structures.The new phase is mechanically and dynamically stable, as confirmed by its phonon and elastic constants calculations.The calculated mechanical properties show that it is an ultra-incompressible and hard material. Meanwhile, the elastic anisotropy is investigated by the shear anisotropic factors and ratio of the directional bulk modulus. Density of states analysis reveals that the strong covalent bonding between Tc and B atoms plays a leading role in forming a hard material. Additionally, the compressibility, bulk modulus, Debye temperature, Gr ¨uneisen parameter, specific heat, and thermal expansion coefficient of Tc B are also successfully obtained by using the quasi-harmonic Debye model.     

Growth,structure and physical properties of gadolinium doped Sr2IrO4 single crystal

A series of Gd-doped Sr₂IrO₄ single crystals were grown using a flux method. Analysis of the temperature-dependent resistance of these crystals reveals that these samples show two-dimensional weak localization at 150 to 300 K, while three-dimensional variable range hopping (VRH) behavior is observed at temperatures lower than 150 K. Two localization lengths are observed in the VRH behavior, with a transition temperature of around 88 K. Correspondingly, temperature-dependent magnetization observations along the ab-plane reveal magnetic anomalies at both 150 and 85 K. This work demonstrates the correlation between the electrical and magnetic properties of 5d transition-metal compounds.     

Effect of temperature on spectroscopic features relevant to laser performance of YVO4:Tm3+, GdVO4:Tm3+, and LuVO4:Tm3+ crystals

Optical spectra and luminescence decay curves were measured for thulium-doped YVO(4), GdVO(4), and LuVO(4) single crystals as a function of temperature in the 300-670 K temperature region. In spite of structural similarity, the three systems studied display significantly different transition intensities and nonradiative relaxation rates. It was found, in particular, that the peak value of the pump band absorption intensity diminishes by about 30% for Tm:YVO(4) and Tm:GdVO(4), and the effective emission cross section for the laser transition of Tm(3+) diminishes by a factor of 2 roughly when temperature increases from 300 to 500 K. An unusually small quantum efficiency of the upper laser level in Tm:LuVO(4) has been derived from the analysis of luminescence decay curves.     

Crystal growth,spectroscopic characterization and laser operation of Tm3+ and Ho3+ codoped LiLuF4 crystal

Laser crystal Tm³⁺ and Ho³⁺ codoped LiLuF₄ with high optical quality was grown by Czochralski technique. Its absorption and fluorescence spectra were investigated. A continuous wave output power of 1.12 W at 2066 nm was obtained with a slope efficiency of 24% by use of diode pumping. In the Q-switched mode, a slope efficiency of 18.9% and a maximum average power of 0.65 W were obtained.     

Sr3Gd(PO4)3:Tm3+的真空紫外光谱特性

研究了Sr3Gd(PO4)3 : Tm3 和GdPO4 : Tm3 样品的结构特性、光谱特性.GdPO4 : Tm3 为单斜晶系,基质掺入铥离子后结构没有明显变化.GdPO4:Tm3 在164和210 nm附近有强烈的吸收峰.位于164 nm附近的强烈的吸收峰是归因于基质的吸收引起,210 nm附近的吸收峰则归因于Gd 的8S7/2-6GJ的能级跃迁.在164 nm真空紫外光激发下,样品于453及363 nm处有较强的发射峰,发射主峰位于453nm,属于Tm3 的1D2→3H4(22,123 cm-1)跃迁的典型发射.由于阳离子质量的不同,Sr3Gd(PO4)3:Tm3 在166 nm附近的激发峰高于GdPO4: Tm3 的同位置的激发峰,其在363 nm处的发射有明显减弱,而在453 nm处的蓝色发射有显著的增强.