Ligand hyperfine Yb3+ interaction in CsCaF3 and Cs2NaYF6 crystals

The operator, which determines the contribution of processes including the polarization of central ion core to the ligand hyperfine interaction (LHFI), has been obtained in the second quantization representation in the basis of partially nonorthogonal orbitals. The contributions of the impurity Yb³⁺ ion to the LHFI parameters have been also calculated in Cs₂NaYF₆ and CsCaF₃ crystals, which are determined by the mechanisms studied earlier. The single-particle orbital basis has been extended as compared to the previous work. There is a sufficiently good agreement with the experiment.     

Theoretical investigations of the local distortion and electron paramagnetic resonance parameter for CdCl2：V^2＋ and CsMgX3：V^2＋（X=Cl,Br） systems

This paper systematically investigates the local distortion and electron paramagnetic resonance (EPR) parameter for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems on the basis of the complete energy matrix, in which not only the contributions due to the spin–orbit coupling of the central ions but also that of the ligands are considered. To describe the difference of overlapping between d-orbits and p orbit, two spin–orbit coupling coefficients are introduced. By simulating the crystal field parameter and EPR parameter, the local distortion parameters are studied and the relationships between the EPR parameter and the spin–orbit coupling coefficients as well as divergent parameter are discussed. These results show that the local structures exhibit compression distortion for CdCl 2 :V 2+ and elongation distortions for CsMgX 3 :V 2+ (X=Cl, Br), respectively. It notes that the empirical formula R ≈ R H + (r i-r h )/2 is not suitable for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems. The contributions of ligand to spin–orbit coupling interaction cannot be neglected for strong covalent systems, especially for V 2+ doped in CsMgBr 3 :V 2+ .     

Er3+：GdVO4中Er3+离子的光谱参数计算和晶场中能级分裂的讨论

对Er³⁺：GdVO₄样品的光谱参数以及Er³⁺在晶场中能级的分裂情况进行了研究. 首先对样品进行了吸收光谱的测量，接着用Judd-Ofelt理论拟合出了Er³⁺在GdVO₄晶体中的强度参量Ω_t，并由此计算了跃迁的振子强度、自发辐射跃迁速率、荧光分支比和积分发射截面. 通过计算结果可以发现有较多能级之间的跃迁都有大于10^-6的振子强度和大于10^-18cm的积分发射截面，并且具有较高的荧光分支比，特别是²H_11/2→⁴I_15/2，⁴S_3/2→⁴I_15/2，⁴F_9/2→⁴I_15/2和⁴I_13/2→⁴I_15/2等几个强发光能级除了具有较大的振子强度和积分发射截面外还有很好的应用前景，因此也更加值得关注. 最后还利用群论讨论了Er³⁺离子在GdVO₄晶场中各能级的分裂情况并对各Stark子能级的J_z混杂情况进行了分析.     

Energy levels calculation for Er3+: LiYF4

The complete configuration 4f¹¹ of Er³⁺ was diagonalized with a Hamiltonian containing electrostatic, two-body and three-body configuration interaction, spin-orbit and crystal field parameters of LiYP₄. A set of 18 parameters was adjusted to fit the experimental energy levels as given by Petrov and Tkachuk.     

Energy transfer up-conversion in CdF2:Er3+ and SrxCd1−xF2:Er3+

We study the influence of the site distribution on the up-conversion processes of Er³⁺ in CdF₂ and Sr_xCd_1?xF₂ crystals. While the transfers efficiently occur in clusters despite large energy mismatches, they are closely dependent on an energy coincidence in the case of single centres. We show that the two-photon excitation spectra are essential tools to select the up-conversion sequences.     

Ba5SiO4Cl6: Yb3+, Er3+, Li+荧光粉的制备及上转换发光性质研究

本文采用高温固相反应法制备了Ba₅SiO₄Cl₆: Yb³⁺, Er³⁺, Li⁺ 荧光粉, 并对其上转换发光性质及其发光机理进行了研究. 在980 nm 激光的激发下, Ba₅SiO₄Cl₆: Yb³⁺, Er³⁺ 荧光粉呈现较强的红色(662 nm) 和较弱的绿色(550 nm) 的上转换发光, 红色和绿色的上转换发光分别对应于Er³⁺ 离子的⁴S_3/2/²H_11/2→⁴I_15/2 和⁴F_9/2→⁴I_15/2 跃迁, 且随着掺杂的Er³⁺ 和Yb³⁺ 离子浓度增加, 样品的上转换发光强度增加, 这是因为Yb³⁺ 离子和Er³⁺ 离子之间的能量传递效率增加引起的. 在0.5—0.8 W 功率激发下,样品属于双光子发射, 而在0.9—1.2 W 功率激发下样品具有新的上转换发光机理——光子雪崩效应. 探讨了Li⁺ 掺杂对Ba₅SiO₄Cl₆: Yb³⁺, Er³⁺ 样品的上转换发光性质的影响, Li⁺ 离子的掺杂引起Ba₅SiO₄Cl₆:Yb³⁺, Er³⁺ 上转换发光强度增加, 这是由于Li⁺ 离子的掺入降低了晶体场的对称性引起的.     

Spin--orbit ab initio curves of 80Se2+ ion and theassignment of photoelectron spectra of 80Se2 molecule

This paper carries out ab initio calculations to study the ^80Se2（X^3Σg^-） state and ^80Se2^＋（X^2Πg）, ^80Se2^＋（a^4Πg） states by using completed active space self-consistent field and multi-reference second order perturbation theory. The electronic curves of these states including spin-orbit coupling are calculated, and then the spectroscopic parameters are obtained. The photoelectron spectra of ^80Se2 molecule in gas phase are assigned according to Franck-Condon analysis based on calculated potential energy curves. The ionization energies of ^80Se2 molecule are determined by the present calculation.     

Er3+，Er3+/Yb3+掺杂氟化镧超微材料的光谱特性与上转换发光

采用共沉淀法制备了Er³⁺掺杂和Er³⁺/Yb³⁺共掺杂LaF₃超微材料,所制备的样品的颗粒呈球形,尺寸为250nm左右.计算得到Er³⁺单掺杂样品中对应着⁴S_3/2和⁴F_9/2能级的发光量子效率分别为67.0%和71.9%.研究发现,随着Yb³⁺离子浓度的增加 关键词： 3+')" href="#">Er³⁺ 3+')" href="#">Yb³⁺ 发光 能量传递     

4f-5d transitions of Pr3+ in CaF2

The luminescence excitation spectrum of the Pr³⁺ ion in CaF₂ crystals hase been investigated, and new bands at 3950, 3660, 3380, 2740 and 2620 Å have been observed. These bands are found to be concentration dependent.     

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.     

Yb3+,Er3+共掺BaGd2ZnO5材料的制备及其上转换发光效率

采用溶胶-凝胶法制备了含有不同Yb³⁺,Er³⁺掺杂浓度的BaGd₂ZnO₅上转换发光材料,测量了这些样品在不同激发光密度下的上转换光发射功率及上转换效率。实验结果表明:在不同激发光密度下,所有样品的光发射功率都存在极大值,其中Yb³⁺掺杂摩尔分数为4%,Er³⁺掺杂摩尔分数为1%时样品的最大发射光功率可达20 mW;样品的上转换绝对效率也存在极大值,随着Yb³⁺和Er³⁺浓度增加,绝对效率的极大值向较低激发光密度方向移动,在Yb³⁺掺杂摩尔分数为9%,Er³⁺掺杂摩尔分数为3%时样品的上转换效率达到最高,绝对效率为3.2%,极值效率最大值为6.9%。     

Yb3+和Er3+共掺杂的CaF2纳米晶近紫外上转换发光

研究了Er³⁺和Yb³⁺共掺杂的CaF₂纳米材料的制备及其紫外上转换发光性质。在980 nm二极管激光器激发下,该材料可发出相对较强的紫外和绿色双色上转换发光。研究了敏化离子Yb³⁺以及发光中心离子Er³⁺掺杂量对该材料紫外上转换发光相对强度的影响,并进一步对该材料紫外上转换发光增强的可能机制进行了探讨。     

Yb3+/Er3+共掺BaGd2O4荧光粉的制备及其上转换发光性质

采用溶胶-凝胶法制备了Yb³⁺/Er³⁺共掺杂BaGd₂O₄上转换荧光粉。研究了退火温度对BaGd₂O₄晶体结构的影响,以及Yb³⁺/Er³⁺共掺杂的BaGd₂O₄荧光粉在971 nm LED激发下,激发密度与上转换发射光功率及效率的关系。研究结果表明,尽管BaGd₂O₄与目前报道效率最高的Yb³⁺/Er³⁺共掺杂BaGd₂ZnO₅基质的最高声子能量相同,但光-光转换效率却相差82倍,极值量子效率相差7.8倍。结论认为,在声子能量不是很高的情况下,材料结构是影响上转换效率的主要因素。     

Optical and magnetic properties of Er3+ in LiYF4

High-resolution, polarized fluorescence spectroscopy has been used to study magnetically split energy levels of triply ionized erbium in the scheelite host lithium yttrium fluoride. Primary attention focused upon characterizing the Stark components of JLS manifolds involved in the material's several lasing transitions. Measurements at 2K yield energies and signed g factors which differ considerably from previously published zero-field studies and corresponding theoretical predictions of magnetic splittings. Polarization data allow definitive assignment of S₄ irreducible representations similar to those reported for erbium levels in the isomorphic host CaWO₄. Summation of g∥'s for the three Γ_7,8 levels of the ${}^4\text{I}{}_{\mathrm{<mtext>13</mtext><mtext>2</mtext>}}$ multiplet yields a value of 3.16 ± 0.23, whereas the recently developed partial g-sum rule predicts 3.32.     

试验优化设计Er3+/Yb3+共掺BaGd2ZnO5荧光粉及其上转换发光性质

为得到绿光和红光最大发光强度的Er³⁺/Yb³⁺共掺BaGd₂ZnO₅上转换材料荧光粉, 首先采用试验优化设计中的均匀设计初步寻找Er³⁺/Yb³⁺合理的掺杂浓度; 其次通过二次通用旋转组合设计进一步优化实验, 建立起Er³⁺/Yb³⁺掺杂浓度与绿光和红光发光强度的回归方程; 最后通过遗传算法计算出方程的最优解, 即绿光和红光最大发光强度时对应的Er³⁺/Yb³⁺掺杂浓度. 利用传统的高温固相法分别制备出最优样品. 采用X 射线衍射对得到荧光粉的晶体结构进行了分析, 证明了所有产物均为纯相BaGd₂ZnO₅. 采用980 nm抽运激光作为激发源, 在同样的条件下测量了样品的上转换荧光发射光谱, 从中可见样品有较强的红光发射和绿光发射, 发光中心位于662, 551和527 nm, 分别对应于⁴F_9/2→⁴I_15/2, ⁴S_3/2→⁴I_15/2 及²H_11/2→⁴I_15/2能级跃迁. 研究了绿光和红光最优样品的上转换发光强度与激光器工作电流之间的关系, 通过分析发现红色和绿色上转换发光均为双光子过程. 由归一化的绿色上转换发射光谱可以看出, 激光器工作电流导致的样品温度变化可以忽略不计. 由于能级²H_11/2和⁴S_3/2之间存在热平衡, 并满足玻尔兹曼分布, 由此探讨了绿光最优样品上转换发射光谱中的绿色发射与温度的关系, 计算出²H_11/2和⁴S_3/2之间的能级差为ΔE=926.11 cm^-1. 研究了绿光最优样品的温度效应, 随着温度的升高, 发射强度逐渐变小, 出现了温度猝灭现象. 并计算了样品的激活能, 分别为总体激活能ΔE_总=0.45 eV, 绿光激活能ΔE_绿=0.45 eV, 红光激活能ΔE_红=0.46 eV.     

Li~+,Zn~(2+),Mg~(2+)掺杂Lu_2O_3∶Er~(3+)荧光粉的制备及发光特性

用微波高温固相法合成了Er~(3+)单掺Lu_2O_3,Li~+与Er~(3+)共掺Lu_2O_3及Li~+,Zn~(2+),Mg~(2+)掺杂Lu_2O_3∶Er~(3+)的荧光粉。实验表明金属离子Li~+、Zn~(2+)、Mg~(2+)、Er~(3+)掺杂Lu_2O_3,不影响Lu_2O_3的立方晶相。扫描电子显微镜测量表明,Li~+掺杂可以有效改善粉体的分散性和形貌,Li~+,Zn~(2+),Mg~(2+)共掺杂获得的粉体颗粒分布更加均匀,粒径范围为80～100 nm。379 nm激发下,Li~+与Er~(3+)共掺样品发光较单掺Er~(3+)样品在565 nm处的发光增强了4.5倍,而Li~+、Zn~(2+)、Mg~(2+)与Er~(3+)共掺样品较其发光增强5.3倍。980 nm激发下,Li~+与Er~(3+)共掺样品,Li~+、Zn~(2+)、Mg~(2+)与Er~(3+)共掺样品的发光分别比单掺Er~(3+)样品在565 nm处发光增强23倍与39倍,在662 nm处发光强度分别增强20倍与43倍。379 nm激发下,较单掺Er~(3+)的样品,掺杂Li~+的样品和Li~+,Zn~(2+),Mg~(2+)和Er~(3+)共掺的样品荧光寿命均有所增加,而Zn~(2+)、Er~(3+)共掺及Mg~(2+)、Er~(3+)共掺样品的荧光寿命则有所缩短。     

Ce3+, Mn2+共掺的Ca4Y6 (SiO4)6F2的发光性质和能量传递

采用高温固相法制备了Ca_4-xY_5.95 (SiO₄)₆F₂:0.05Ce³⁺, _xMn^{2 +}系列荧光粉,并对其发光性质以及Ce³⁺, Mn^{2 +}在Ca₄Y₆ (SiO₄)₆F₂ (CYSF)基质中的能量传递过程进行了研究.相结构研究表明: CYSF属于一种基于磷灰石结构的类质同象化合物.CYSF: 0.05Ce³⁺, _xMn²⁺荧光粉在200–373 nm为宽带激发光谱,Ce³⁺和Mn²⁺在408 nm和602 nm的发射峰分别由Ce³⁺的5d→4f的跃迁和Mn²⁺的⁴T₁ (⁴G)→ ⁶A₁ (⁶S)的跃迁产生.光谱重叠现象以及荧光寿命测试结果证明了Ce³⁺对Mn²⁺具有敏化作用,能级结构分析进一步证实该体系中存在Ce³⁺→Mn²⁺的能量传递过程,可有效地将Ce³⁺的蓝光转换为红橙光. 关键词： 磷灰石 发光性质 能量传递     

Er3+，Tm3+共掺的NaY(WO4)2晶体的光谱分析和上转换发光

在室温下，测量了Er:Tm:NaY(WO₄)₂晶体的吸收光谱、激发光谱、发射光谱以及上转换发光，并运用J-O理论对测量的结果进行了计算，得出了Er:Tm:NaY(WO₄)₂晶体的强度参数.报道了Tm，Er离子间特殊的能量传递和相关上转换，解释了离子间的能级跃迁过程.同时，对于Er增强Tm离子近红外发光的特性也作了充分研究. 关键词： 4)₂晶体')" href="#">Er:Tm:NaY(WO₄)₂晶体 吸收光谱 发射光谱 激发光谱 上转换     

Charge transfer excitation of the Nd3+, Sm3+, Dy3+, Ho3+, Er3+ and Tm3+ emission in CaGa2S4

The excitation spectra of the Nd³⁺, Sm³⁺, Dy³⁺, Ho³⁺, Er³⁺ and Tm³⁺ emission in the sodium-compensated CaGa₂S₄ host lattice, a sulfide with wide band gap, contain an intense band below the absorption edge. Comparison of the energy of its maximum with thermodynamic data and correlations to Jørgensen's refined spin-pairing theory predictions allow one to ascribe this band to a charge transfer transition ending onto 4f orbitals. The irregular variation within the rare earth series contrasts with the monotonic variation of the absorption edge in stoichiometric rare earth sulfides (e.g. NaLnS₂), associated with interband transitions.