Optical Property of LiNbO3 Crystal Codoped with In, Mg and Fe

In2O3, MgO and Fe2O3 were doped in LiNbO3 and Czochralski method was used to grow In:Mg:Fe:LiNbO3 crystals. The OH- extension transmission spectra, light scattering resistance ability, two wave coupled diffraction efficiency and response time of the crystal were measured. Codoping In and Mg in crystal will improve its light scattering resistance ability and response time. Doping In can increase the ability to replace antisite Nb and decrease the doping quantity of Mg. All these are propitious to improve the optical homogeneity of crystal. Doping Fe can improve the photorefractive sensitivity for LiNbO3 crystal. We discussed the site of In, Mg and Fe in LiNbO3 crystals and the influence of the absorption peak of OH- transmission spectra on photorefractive property for LiNbO3 crystal.     

离子晶体中CN红外吸收受近邻浸杂质影响的讨论

本文采用一个简单摸型对CN~-与正离子杂质组合的振动吸收谱进行了理论计算,确定了组合体的位形。在讨论中发现CN~-的位形不但具有偏心,而且取向上具有偏轴现象。     

LiNbO_3: Cr~(3 ),Mg~(2 )晶体中Cr~(3 )离子的光谱精细结构,零场分裂和占位研究

采用完全对角化方法,首先计算了ＬｉＮｂＯ３：Ｃｒ３＋,Ｍｇ２＋晶体中Ｃｒ３＋（Ⅰ）离子的光谱精细结构,并重点分析了Ｃｒ３＋（Ⅰ）离子的零场分裂和Ｒ线（２Ｅ→４Ａ２跃迁）分裂．然后,根据ＬｉＮｂＯ３：Ｃｒ３＋,Ｍｇ２＋晶体的ＥＰＲ谱和吸收光谱,进一步研究了Ｃｒ３＋（Ⅰ）和Ｃｒ３＋（Ⅱ）离子的占位情况．计算结果表明：Ｃｒ３＋（Ⅱ）离子应占Ｎｂ５＋位,同时沿着Ｃ３轴向八面体中心移动０．０１３±０．００１ｎｍ,对于该占位,Ｃｒ３＋（Ⅱ）离子的零场分裂以及２Ｅ、４Ｔ２态的能量均与实验值符合;对于Ｃｒ３＋（Ⅰ）离子,存在着两种可能占位,即占Ｎｂ５＋位和Ｌｉ＋位,并且都沿着Ｃ３轴向八面体中心移动约０．０４９ｎｍ,它们的零场分裂值和２Ｅ态分裂都能与实验值相符合．     

The Effect of Oxidation／Reduction Disposing on Optical Properties of Mg： Fe： Mn： LiNbO3 Crystals

The congruent tri-doped Mg: Mn: Fe: LiNbO3 crystal has been grown by Czochralski method. Some crystal samples are reduced in Li2CO3 powder at 500℃ for 24 hours or oxidized for 10 hours at 1100 ℃ in Nb2O5 powder. Compared with As-grown Mg:Mn:Fe:LiNbO3, the absorption edge in UV-Vis. absorption spectrum of the oxidized sample and the reduced shifts to the violet and the red, respectively. Reduction increases the absorption of crystals in visible light region. In two-wave coupling experiments, the writing time, maximum diffraction efficiency and the erasure time of crystal samples in the same conditions are determined. The results indicate that oxidation and reduction disposing has great effect on the holographic recording properties of these crystals. The reduced crystal exhibits the fastest response time of 160 s anmng the crystal series. The mechanism of post-disposing effect on the holographic recording properties of Mg:Mn:Fe:LiNbO3 crystals are investigated.     

Studies of Photorefractive Crystals of Double-Doped Ce,Fe:LiNbO3

In this paper, photorefractive crystals of Ce, Fe:LiNbO3 are systematically studied. The crystals have been grown by Czochralski method. The samples with different doping concentrations and oxidation/reduction treatments have been fabricated. Their photorefractive properties were experimentally investigated by using two-beam coupling. The results show that the photorefractive efficiency depends on the dopant concentration, oxidation/reduction treatment, and light wavelength. The doping mechanism is also discussed here.     

Ti3+:ZrSiO4中Ti3+中心g因子研究

锆英石(ZrSiO4)的热膨胀系数和导热系数较低,抗震性能和化学稳定出色,近年来,逐渐受到人们的重视.通过引入平均因子和3d1电子在D2d晶场的g因子公式,研究了Ti^3 :ZrSiO4中Ti^3 中心EPRg因子,得到的结果与实验值基本稳合.     

Studies of Photorefractive Crystals of Double-Doped Ce,Fe:LiNbO3

In this paper, photorefractive crystals of Ce, Fe:LiNbO3 are systematically studied. The crystals have been grown by Czochralski method. The samples with different doping concentrations and oxidation/reduction treatments have been fabricated. Their photorefractive properties were experimentally investigated by using two-beam coupling. The results show that the photorefractive efficiency depends on the dopant concentration, oxidation/reduction treatment, and light wavelength. The doping mechanism is also discussed here.     

Ti4+的掺入对Y2O2S:Eu3+,Mg2+,Ti4+陷阱分布和余辉性能的影响

用高温固相法制备了不同Ti4+掺杂量的红色长余辉材料Y2O2S:Eu3+,Mg2+,Ti4+,其X射线衍射分析、发射光谱和激发光谱均不受Ti4+掺杂量改变的影响.测量了Ti4+掺杂量不同的样品的热释光谱,随着Ti4+掺杂量的增加,热释光的峰值强度先增强后减弱,有了很大的变化;用PeakFit软件以一般阶动力学模型对Ti与Y2O2S的物质的量比分别为0.5%,2.5%和8.0%的样品进行了热释光曲线拟合,得出了它的单峰曲线并计算了与其对应的陷阱参数.陷阱分布表明:当Ti掺杂量为2.5%时,有利于合适深度陷阱的大量形成,从而使材料的发光和余辉性能得到了很大的提高.     

In掺杂对Er:LiNbO3晶体上转换荧光性能的影响

采用Czochralski方法生长了同成分Er(1%):LiNbO3和In(2%):Er(1%):LiNbO3晶体(摩尔分数)。采用红外透射光谱来研究晶体样品的缺陷结构,研究发现,随着In3+离子的掺入,Er:LiNbO3晶体的OH吸收峰发生紫移,由3481cm-1移至3 508 cm-1。以飞秒激光为激发光源测试了晶体样品的上转换荧光光谱,发现In:Er:LiNbO3晶体中Er3+离子的发光强度有明显提高。结合紫外-可见吸收光谱和上转换光谱,分析了In:Er:LiNbO3晶体中In3+的掺入使Er:LiNbO3上转换发光强度增强的原因,这些结果表明In:Er:LiNbO3晶体用作激光器的增益介质有助于进一步改善激光器性能。     

[CoL_2]NO_3的合成、晶体结构和红外光谱

将水杨醛与N-2-羟乙基乙二胺按1∶1物质的量混合,缩聚得到配体L,再分批加入等摩尔的Co(NO3)2·6H2O,制备出硝酸二(水杨醛N-2-羟乙基乙二胺缩席夫碱)合钴(Ⅲ),该配合物分子式[CoL2]NO3,属正交晶系,空间群为Fdd2,α=1.8576(8)nm,b=5.696(2)nm,c=0.9874(4)nm,V=10.448(8)nm3,α=β=γ=90.00°,Z=16.     

MPO4 (M=Sc,Lu, Y) :Ti3+ 自旋哈密顿参量的理论研究

利用高阶微扰方法和完全对角化方法分别计算了MPO4 (M=Sc, Lu, Y) ：Ti3+的自旋哈密顿参量（g 因子 g// , g和超精细结构常数A//, A),两种方法的计算结果非常接近,并且均和实验值吻合的很好,这表明这两种方法都是研究过渡金属离子自旋哈密顿参量的有效方法。另外,还对所研究的三种不同材料的共价性和芯极化常数性质进行了讨论。     

K4Sn3Se8的固相合成、晶体结构和反射光谱研究

采用反应性熔盐法，通过中温固相反应在500℃下合成晶体K₄Sn₃Se₈。该晶体属正交晶系，空间群Ccca，晶胞参数：a=0.82115(6)nm，b=2.7790(2)nm，c=0.81865(6)nm，V=1.8682(2)nm³，Z=4。K₄Sn₃Se₈由[Sn₃Se₈]₄三聚体负离子和K⁺正离子组成。漫反射光谱研究表明该材料能隙(Eg)为2.6eV，属于半导体，对太阳能具有选择吸收的特性。     

Nd掺杂对La_(0.7-x)Nd_xSr_(0.3)MnO_3的结构及红外吸收谱和磁学性质的影响

采用固相反应法制备了钙钛矿型氧化物La0.7-xNdxSr0.3MnO3(x=0,0.05,0.10,0.15,0.2)多晶样品.X射线衍射(XRD)分析表明,随着钕离子掺杂浓度的增加,晶胞体积逐渐减小.样品表面形貌SEM图像显示,掺杂Nd的多晶样品的晶粒变小,而未掺杂的La0.7Sr0.3MnO3晶粒最大.红外吸收光谱测量显示,样品在574~602 cm-1范围内出现了吸收峰,且吸收峰的位置随掺杂Nd离子浓度的增加向低频方向偏移.样品的磁性质测量表明,掺杂稀土离子的半径及磁矩对La0.7Sr0.3MnO3磁电阻有明显的影响.     

LiNbO3:Fe晶体中两光束非同时打开对耦合过程的影响

采用非同时打开的信号光和抽运光在光折变材料LiNbO3:Fe晶体中进行耦合,研究两波耦合增益随时间变化的规律.结果表明:光扇效应对LiNbO3:Fe晶体两波耦合动态过程有显著影响.当入射光光强小于光扇效应的阈值时,信号光和抽运光不同时打开的条件下,两光束耦合过程中,能量增益G随辐照时间变化的曲线与两束光同时打开时基本相同;当入射光强大于光扇效应的阈值时,信号光和抽运光打开的顺序和时间间隔Δt不同时,光束耦合能量增益G随时间变化不同.由于光扇效应对抽运光的能量散耗,最大能量增益G的值随着Δt的增大而减小,而且G达到最大值所用时间随着Δt的增大而延长.     

Statistical analysis on protein-protein interface in crystals： Specific and non-specific interfaces are differentially distributed

The distribution of contact areas, or fractions of contacting, of protein-protein interfaces in crystals of pure polypeptides contains two components: a major exponential distribution and a minor flatter distribution. Suppose the two components belong to specific and non-specific contacts,respectively, then the probability of a contact with a givena rea, or fraction of contacting, can be estimated. By dividing the whole database into two sub-databases, one of them is known to contain more specific contacts than the other, this hypothesis is confirmed and it is also proved that the fraction of contacting is more effective than the contact area on discriminating specific and non-specific contacts in protein crystals.     

旋轨耦合作用对Ti3+:Al2O3能级分裂的贡献

运用晶体场理论对钛宝石能级分裂的精细结构进行了计算，结果说明，在不计Jahn-Teller效应的情况下，考虑晶场和自旋一轨道耦合的共同作用能很好的解释其基态能级分裂，解决了Macfarlane认为不能用晶体场理论进行计算的困难．理论数据与实验结果符合得很好．     

Cu0.5Zr2(PO4)3:Cu2+中心g因子研究

由于Cu0．5Zr2(PO4)3晶体具有良好的离子传导能力、催化特性、较低的热膨胀性，对它的研究引起了广泛的关注．本文引入平均共价因子N，并结合晶体结构数据给出了3d^9离子在晶场D4h下的g因子公式，利用该公式并结合Cu0．5Zr2(PO4)3晶体的具体结构数据对Cu0．5Zr2(PO4)3晶体中CU^2 中心的EPRg因子进行了理论分析计算，所得到的结果与实验值基本吻合．     

Al2O3含量对烧结初始液流动行为的影响

在铁矿粉烧结过程中,初始液相流动行为是烧结矿固结效果的重要影响因素。采用微型烧结法,探讨了Al2O3含量对初始液相流动行为的影响,并通过对初始液相微观结构的解析,揭示了Al2O3含量对初始液相气孔分布和结构的影响规律。实验结果表明,初始液相的流动性指数随着Al2O3含量提高而降低。水淬试样的XRD实验结果结果证实,Al2O3含量的增加提高了复合铁酸钙的稳定性,降低了初始液相的流动能力。此外,初始液相流动性亦会对气孔性质产生影响。高Al2O3初始液相中气孔结构不规则程度提高,且小于50μm气孔数目也随之增多。