Cr4+,Yb3+:YAG晶体的生长及其吸收特性

用提拉法生长了Cr,Yb:YAG晶体,研究了在室温的吸收光谱特性以及氧化性气氛退火对其吸收特性的影响.在室温吸收光谱中存在着五大吸收带:在440nm和605nm存在着Cr3+离子的两个吸收带,而且退火使其发生了明显的"红移";在937nm和968nm处存在Yb3+离子的两个吸收带,能与InGaAs激光二极管(LD)有效耦合,适合激光二极管泵浦;而且在1.03μm处有一Cr4+离子的吸收峰,可用作可饱和吸收体,从而可以实现对Yb3+的自调Q激光输出.在氧化性气氛下退火对晶体吸收特性及缺陷的影响是:退火使晶体的缺陷明显减少而且使Cr4+浓度得到进一步的增加;Cr4+离子浓度的增加主要是由于二价阳离子Ca2+进入相应的Y3+晶格所造成.并且从晶格场的角度讨论了退火使Cr3+离子的吸收带发生"红移"的原因.     

新型Q开关晶体Cr4+∶YAG的生长和退火研究

采用二价Ca离子作为电荷补偿离子由提拉法生长出了具有高光学质量的调Q开关晶体Cr4+∶YAG并对该晶体进行了退火研究.吸收光谱测量表明原生态晶体中已有少量Cr4+离子存在.晶体经空气中退火后Cr4+离子浓度和1.06μm处的吸收系数均显著提高.晶体生长和退火实验显示出晶体中Cr4+离子的浓度不仅取决于掺杂的Cr3+离子的浓度,而且同晶体中的Ca/Cr浓度比密切相关.     

不同气氛退火对钨酸铅晶体光学性能的影响

为探究不同气氛退火处理对钨酸铅晶体光学性能的影响,对坩埚下降法生长的钨酸铅晶体分别在氧化气氛(O2)、惰性气氛(N2)、还原气氛(CO)下进行退火处理,测试了退火前后的透射光谱、吸收光谱、荧光光谱、光产额和衰减时间等光学性能参数.结果表明,N2气氛退火后钨酸铅晶体350 nm处的本征吸收略有降低而O2和CO气氛退火后略有增强,富O2气氛下退火的钨酸铅(PWO)晶体在420 nm处产生较强吸收峰.O2、N2气氛退火的钨酸铅晶体荧光光谱出现红移,CO气氛退火的钨酸铅晶体荧光强度得到明显改善,O2、N2、CO不同气氛退火的PWO晶体在1000 ns积分时间内的光产额分别为:10 p.e/MeV、25 p.e/MeV、38 p.e/MeV,衰减时间分别约为5.2 ns、4.5ns、4.4 ns.     

Tm:YAG晶体的生长及吸收特性

采用提拉法生长出三种掺Tm3+浓度的Tm:YAG晶体.运用ICP-AEs测定Tm3+离子在Tm:YAG晶体中的分凝系数约为1.室温下测定了Tm:YAG晶体在190～900nm之间的吸收光谱及1000～4500cm-1范围内退火前后的红外吸收谱.测试结果表明,退火后3365cm-1处OH-1离子的吸收峰完全消失.说明在空气气氛下对Tm:YAG晶体进行退火处理改善了晶体的性能.     

退火处理对CdZnTe晶体光电性能的影响

研究了生长态CdZnTe晶体在经历了不同温度和时间的Cd/Zn和Te气氛退火后,其光电性能的变化规律.研究表明,在Cd/Zn气氛下退火180 h后,CdZnTe晶体中直径在5μm以上的Te夹杂的密度减小了1个数量级,晶体的体电阻率由1010 Ω·cm减小至～107 Ω· cm.同时发现,Cd/Zn源区的温度决定了退火后晶体在500～4000cm-1范围内红外透过率曲线的平直状态,这可能与晶体中的Cd间隙缺陷浓度相关,而与晶体中的载流子浓度和夹杂/沉淀相状态无关.在Te气氛下退火时,发现晶体的红外透过率的平直状态与晶体电阻率的对数lg(ρ)呈近似线性关系,同样可归因于退火过程中Cd间隙缺陷的浓度变化.     

Tm∶YAG晶体的生长及吸收特性

采用提拉法生长出三种掺Tm3 浓度的Tm∶YAG晶体。运用ICP AES测定Tm3 离子在Tm∶YAG晶体中的分凝系数约为 1。室温下测定了Tm∶YAG晶体在 190～ 90 0nm之间的吸收光谱及 10 0 0～ 4 5 0 0cm-1范围内退火前后的红外吸收谱。测试结果表明 ,退火后 336 5cm-1处OH-1离子的吸收峰完全消失。说明在空气气氛下对Tm∶YAG晶体进行退火处理改善了晶体的性能。     

退火温度对Ce:YAlO3单晶体的影响研究

将生长完成的Ce:YAlO2单晶体在1680℃的高温氢气气氛下退火,晶体颜色、吸收光谱和荧光光谱相对于未退火的样品均发生了变化.本文对此现象进行了分析.研究结果表明,1680℃高温氢气退火后,Ce:YAP晶体中同时包含YAP相和YAG相.     

新型Q开关晶体Cr^4＋：YAG的生长和退火研究

采用二阶Ca离子作为电荷补偿离子由提拉法生长出了具有高光学质量的调Q开关晶体Cr^4 :YAG并对该晶体进行了退火研究。吸收光谱测量表明原生态晶体中已有少量Cr^4 离子存在。晶体经空气中退火后Cr^4 离子浓度和1.06μm处的吸收系数均显著提高，晶体生长和退火实验显示出晶体中Cr^4 离子的浓度不仅取决于掺杂的Cr^3 离子的浓度，而且同晶体中的Ca/Cr浓度比密切相关。     

ZnSe和Cr∶ ZnSe单晶的温梯法制备及光学性能研究

采用温度梯度法(TGT)生长了直径为32 mm大尺寸ZnSe晶体.对生长出的ZnSe单晶进行了光学性能分析.采用磁控溅射方法在ZnSe晶体上镀铬膜,通过热扩散方法成功制备出中红外Cr∶ ZnSe激光晶体,并研究了Cr∶ZnSe晶体的光谱性能.吸收光谱测试观察到了Cr2+(3d4)取代四面体配位Zn2的5T2→5E能级的跃迁在1800nm的吸收带.77 K低温的光致发光光谱表明Cr∶ ZnSe晶体具有中心波长位于2.2 μm的宽谱带发射特征.     

可调谐激光晶体Cr:GSGG的光谱分析及晶场参数计算

用提拉法成功生长出了优质的Cr3+:Gd3Sc2Ga3O12晶体,测定了室温下的吸收光谱和不同温度下的荧光光谱,计算了晶场参数,发现荧光峰值及晶场参数与以前文献报道的均不相同.吸收光谱中,在458.5nm和642.5nm出现了较强的宽带吸收峰,分别对应于Cr3+的4A2→4T1和4A2→4T2的吸收跃迁,在678nm处又叠加了一个非常弱的吸收峰,对应于4A2→2T1的吸收跃迁.测试了晶体从7K到室温的荧光光谱和荧光寿命,在650～850nm范围内出现了宽带荧光,对应于Cr3+的4T2→4A2的发射跃迁.随着温度的升高,荧光峰向长波方向移动,荧光峰半高宽增大,室温下其荧光峰值在732nm,半高宽约为80nm.低温(7K)下的荧光谱中,在694nm处观察到了尖而锐的R线(零声子线),对应于Cr3+的2E→4A2的发射跃迁.由于温度猝灭效应,随着温度升高,晶体的荧光寿命降低,室温下荧光寿命约为114μs.计算了晶场强度参数Dq/B=2.49,4T2零声子能级与2E能级的间距△E为204cm-1,这些参数表明Cr3+处在较弱的晶场中,有利于4T2→4A2的宽带跃迁,Cr:GSGG晶体是较为理想的可调谐激光工作物质.     

CsI-LiCl共晶材料的坩埚下降法生长与闪烁性能研究

本文采用坩埚下降法,在真空密封的石英坩埚中成功生长出CsI-LiCl与CsI-LiCl:Na共晶闪烁体。通过扫描电子显微镜(SEM)观察晶体微结构表明该共晶中LiCl相与CsI相存在周期性的层状排列,CsI相的厚度在5 μm左右。共晶样品的X射线激发发射谱显示在CsI-LiCl和CsI-LiCl:Na共晶样品存在缺陷发光,在CsI-LiCl样品中还观察到了纯CsI的自陷激子(STE)发光。CsI-LiCl样品在α粒子激发下的多道能谱中观察到明显的全能峰,这一结果证明CsI-LiCl共晶可用于热中子探测的潜力。     

First-principles coexistence simulations of supercooled liquid silicon

We perform first-principles coexistence simulations of the low-density and the high-density phases of supercooled liquid silicon and find a negative slope for the coexisting line in the temperature-pressure plane. Electron density maps and electron-localization function plots of the two phases of silicon show marked differences. The calculated differences suggest more localized electrons in the low-density liquid compared to the high-density liquid, coming from an increased population of covalent bonds, which further explain the calculated negative slope in the two phase coexistence regime. This is consistent with the presence of a pseudo-gap in low-density liquid silicon, absent in the high-density liquid which shows a metallic behavior.     

静电纺丝法制备CeO2微纳米纤维及其除氟性能

以聚丙烯腈(PAN)为载体,六水合硝酸铈[Ce(NO₃)₃·6H₂O]为原料,采用静电纺丝法制备了Ce(NO₃)₃/PAN纤维,在空气中热处理得到CeO₂微纳米纤维,通过XRD、BET和SEM对CeO₂微纳米纤维进行表征。采用静态吸附实验探讨了CeO₂微纳米纤维去除水溶液中氟离子的性能,考察了溶液pH值、初始氟离子浓度及共存阴离子等对吸附性能的影响。结果表明,pH=3时,CeO₂微纳米纤维对F^-的吸附性能最佳,CeO₂吸附量随着F^-浓度的增大呈上升趋势。CeO₂微纳米纤维对F^-的吸附等温线遵循Langmuir模型,二级动力学模型能很好地描述CeO₂微纳米纤维对F^-的吸附过程。CeO₂微纳米纤维的除氟性能优良,可为其实际应用提供理论参考。     

Crystal structures of thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane

Structures of both thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane, ?C₆H₄?CH₂SCH₂?C₆H₁₀?CH₂SCH₂?, have been determined, wherecis andtrans refer to the attachments to the cyclohexane ring. Thecis form crystallizes in the monoclinic space groupP2₁/c witha=8.4299(11)Å,b=21.772(2)Å,c=8.9724(13)Å, β=116.574(11)^o, andZ=4. Thetrans isomer packs into the monoclinic space groupP2₁ witha=8.159(16)Å,b=10.185(5)Å,c=9.558(2)Å, β=112.435(18)^o, andZ=2. The cyclohexane ring of thecis isomer is in the chair conformation, while the cyclohexane of thetrans isomer is found in a twisted boat conformation.     

CTAB与SDBS对碳酸锶粒子生长形态调控及机理研究

以表面活性剂CTAB和SDBS为化学添加剂,采用化学共沉淀法对碳酸锶晶体的生长形态进行调控,成功地制备出了实心的树枝状和花瓣为空心的花状碳酸锶粉体,并用X射线衍射(XRD)、扫描电子显微镜(SEM)和傅里叶变换红外光谱(FT-IR)等分析手段对样品进行了表征;最后重点对化学添加剂可能产生的影响机理进行了初步的探讨.结果表明,CTAB和SDBS在晶体生长的过程中能起到显著的影响作用,两者对粒子分散性能的作用效果相反,而且后者对晶体(013)和(213)晶面表面能降低的贡献明显大于前者.     

Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−

Triethyl ammonium Salt of O,O′-bis(p-tolyl)dithiophosphate and O,O′-bis(m-tolyl)dithiophosphate have been obtained by reaction of p- and m-cresol, respectively with P₂S₅ in toluene and have been characterized by elemental analysis, IR, ¹H and ³¹P NMR spectroscopy. The molecular structure of O,O′-bis(p-tolyl)dithiophosphate has been determined. Crystal data: [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻: Monoclinic, P2₁/c, a=15.2441(9) ?, b=10.415(2) ?, c=3.9726(9) ?, β=91.709(7)°, V=2217.5(1) ?⁻³, Z=4.Supplementary materials Additional material available from the Cambridge Crystallographic Data Centre (CCDC no. 600927 for [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻ comprises the final atomic coordinates for all atoms, thermal parameters, and a complete listing of bond distances and angles. Copies of this information may be obtained free of charge on application to The Director, 12 Union Road, Cambridge CB2 2EZ, UK (fax: +44-1223-336033; email: deposit@ccdc.cam.ac.uk or www:http://www.ccdc.cam.ac.uk).     

Crystal structure of Zn4Na(OH)6SO4Cl·6H2O

The structure of Zn₄Na(OH)₆SO₄Cl·6H₂O, a secondary mineral from Hettstedt, Germany, was determined by single-crystal X-ray diffraction. The crystals are hexagonal,a=8.413(8),c=13.095(24) Å, space group $P\bar 3$ , Z=2. The structure was refined to R=0.0554 and R_w=0.0903 for 970 reflections with I≥3σ(I). The structure can be described as zinc hydroxide layers perpendicular toc, from which sulfates and chlorides extend. The layers are held together by a system of hydrogen bonds involving hexaaquo Na⁺ ions which occupy the interlayer space.     

Synthesis and Crystal Structure of 5-[2-(6-bromonaphthalenyloxymethyl)]-3-(4-morpholinomethyl)-1,3,4-oxadiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

Abstract  The title compound, C₁₈H₁₈BrN₃O₃S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal] reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these angles which therefore play a role in stabilizing crystal packing. Graphical Abstract  Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C₁₈H₁₈BrN₃O₃S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal structure of irisolidone from the flowers of Pueraia lobata

Irisolidone (5,7-dihydroxy-6,4′-dimethoxyisoflavone) was isolated from the flowers of Pueraia lobata and its crystal structure was examined by X-ray single crystal diffraction. The crystal structure of irisolidone is monoclinic, space group P2₁/c with a = 15.491(9) ?, b = 7.895(4) ?, c = 13.321(7) ?, β = 110.546(9)° and Z = 4. Hydrogen bonding and aromatic π–π stacking assemble the title compound into a three-dimensional networking structure.