声表面波用压电晶体的新进展

报道了我们在Li2B4O7、Sr3Ga2Ge4O14、LiNbO3、LiTaO3等声表面波用压电晶体材料方面的最新研究进展.采用改进型坩埚下降法成功生长了直径3～4英寸的Li2B4O7晶体,并实现了批量生产.作为硅酸镓镧系列新型压电晶体之一,Sr3Ga2Ge4O14晶体具有最大的压电系数.报道了直径2英寸Sr3Ga2Ge4O14晶体的生长结果,测试了该晶体的压电性能.在CO2(90;)、H2(10;)混合气氛中,分别在700℃和450℃下对LN和LT晶片进行化学还原处理,成功制备了3英寸LN和LT低静电黑片,不仅减少了器件制作工序,而且使成品率提高了5～8百分点.此外,在密封坩埚中生长了低静电LiNbO3晶体,观察到一些新的现象.     

Nd3+:Sr3Ga2Ge4O14晶体的生长及吸收光谱

采用坩埚下降法生长了Nd3+掺杂浓度分别为15;、8;和2.5;原子分数的Sr3Ga2Ge4O14晶体,所得晶体最大尺寸为φ26mm×15mm.Nd3+掺杂Sr3Ga2Ge4O14晶体的特征吸收峰波长为806nm,与Nd3+离子在YAG中的特征吸收峰相比,向短波方向发生了微小的偏离.这是Sr3Ga2Ge4O14晶格中Ga3+和Ge4+的统计分布所致.Nd3+:SGG晶体的这些特性将有助于泵浦效率的提高和泵浦阈值的降低,因此Nd3+:SGG晶体有望成为一种新型的LD泵浦固体激光材料.     

Nd~(3 )∶Sr_3Ga_2Ge_4O_(14)晶体的生长及吸收光谱

采用坩埚下降法生长了Nd3 掺杂浓度分别为 15 %、8%和 2 .5 %原子分数的Sr3 Ga2 Ge4O14 晶体 ,所得晶体最大尺寸为2 6mm× 15mm。Nd3 掺杂Sr3 Ga2 Ge4O14 晶体的特征吸收峰波长为 80 6nm ,与Nd3 离子在YAG中的特征吸收峰相比 ,向短波方向发生了微小的偏离。这是Sr3 Ga2 Ge4O14 晶格中Ga3 和Ge4 的统计分布所致。Nd3 ∶SGG晶体的这些特性将有助于泵浦效率的提高和泵浦阈值的降低 ,因此Nd3 ∶SGG晶体有望成为一种新型的LD泵浦固体激光材料。     

一种生长Ga3PO7晶体的新助熔剂体系

在MoO3-K2CO3体系中,借助于自发成核法,与MoO3-Li2CO3体系进行对照,找到一个新的适合Ga3PO7晶体生长的助熔剂体系;在新助熔剂体系下,采用顶部籽晶法生长出厘米级Ga3PO7晶体,晶体尺寸为30 mm×21 mm×9 mm;对其基本性质进行表征,在测试范围内所生长的Ga3PO7晶体透过率均在80;以上,具有高的透过率和宽的透过范围.     

CdSiP2晶体的生长与热膨胀性质研究

设计出PBN内衬的逐层减压石英生长安瓿,采用改进的垂直布里奇曼法,获得了完整无开裂的CdSiP2晶体,尺寸达φ15 mm × 65 mm.采用高分辨X射线衍射、扫描电子显微镜和X射线能谱仪对生长的晶体进行测试表明,生长晶体化学成分非常接近CdSiP2的理论化学配比,结晶性良好.运用红外分光光度计以及红外显微镜对厚度2mm的CdSiP2晶片进行了红外光学性能测试,结果表明,在2～5 μm范围内的红外透过率在53;以上,晶片的红外透过率均匀性接近90;.对CdSiP2晶体a轴方向与c轴方向的热膨胀系数αa和αc分别进行了测定,在温度620K时,a轴方向的热膨胀系数αa高达4×10-6 K-1,几乎为αc的三倍.计算得到Cd-P键rCd-P的热膨胀系数为17×10-6 K-1,比Si-P键rSi-P大得多,采用电子结构理论分析了CdSiP2晶体各向异性热膨胀机理.     

La3Ga5SiO14晶体电子结构及光学性质的第一性原理研究

采用基于密度泛函的第一性原理平面波赝势法对La3Ga5SiO14晶体基态的几何参量、能带结构、态密度和光学性质进行了系统的研究.优化了La3Ga5SiO14晶体中原子的内部坐标,利用精确计算的能带结构、态密度和电荷密度等值线分析了晶体的吸收谱、介电函数、折射率,计算结果与实验符合较好,为La3Ga5SiO14晶体材料的分子设计与应用提供了理论依据.     

坩埚旋转下降法生长硒镓银单晶体

本文报道了硒镓银多晶原料合成与单晶生长的新方法--熔体温度振荡法和坩埚旋转下降法.5～6N高纯Ag、Ga、Se单质按AgGaSe2化学配比富0.5;Se配料,1100℃下合成并在熔点附近进行温度振荡,获得了高纯单相致密的AgGaSe2多晶材料.用合成的多晶为原料,采用坩埚旋转下降法生长出φ22×80mm的AgGaSe2单晶锭.晶体外观完整,在10.6μm附近红外透过率达62.4;,吸收系数低于0.01cm-1,对10.6μm CO2激光实现倍频,能量转换效率达12;.     

高压辅助法制备红外非线性AgGaGe5Se12、AgGaGeS4晶体

AgGaGe5 Se12、AgGaGeS4非线性晶体在中远红外激光具有良好的应用前景.合成高纯多晶是制备可器件化单晶元件的关键.但S、Se易挥发、高温下饱和蒸气压高,易导致石英坩埚的爆炸,组分偏离化学计量比.为此,本文采用一种新型的高压辅助法合成出大尺寸高纯的多晶原料,解决了石英坩埚爆炸和组份偏离问题,并在此基础上进行了单晶的生长过程.多晶X射线粉末衍射测试结果与模拟图谱或者标准PDF卡片一致;X射线荧光光谱分析得到各元素百分含量非常接近化学计量比,AgGaGe5 Se12中Ag、Ga、Ge、Se各占7.86;、5.08;、23.80;、63.26;,AgGaGeS4中Ag、Ga、Ge、S各占28.22;、18.24;、19.52;、34.02;;单晶透过率测试得到AgGaGe5 Se12、AgGaGeS4透过率分别为60;、70;,证明此方法制备的AgGaGe5 Se12、AgGaGeS4晶体性能优良,展现了该方法在多晶合成的应用潜力.     

三坩埚提拉法生长铽镓石榴石单晶研究

采用三坩埚提拉法生长出高质量铽镓石榴石(Tb3Ga5O12,TGG)单晶,晶体尺寸为φ25 mm×40 mm.通过X射线衍射、双晶衍射分析讨论TGG单晶的晶体结构和单晶性,并采用He-Ne激光费尔德常数测试装置测定TGG单晶的费尔德常数.结果表明:采用三坩埚提拉法生长的TGG单晶具有＜111＞取向、强度高,双晶摇摆曲线半峰宽为17 s;晶体在632.8 nm处的费尔德常数为0.553 min/cm·Oe.     

8英寸氟化钙单晶生长

氟化钙(CaF2)晶体是一种性能优良的光学晶体材料.本研究用坩埚下降法生长了8英寸(20.32 cm)氟化钙单晶,晶体外观完整,无开裂及散射等宏观缺陷.定向切割后得到 ?40 mm×6 mm的透明圆柱形晶体毛坯,对毛坯样品进行二次退火处理后进行研磨抛光得到最终样品.对该系列样品进行紫外可见透过率、光学均匀性、应力双折射...     

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).     

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.     

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.     

Crystal structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane

Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.1^5,9.2^13,16.1^20,24] hexatriaconta-5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-trans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P2₁/a with a = 10.485(3)Å, b = 10.3956(18)Å, c = 14.1343(10)Å, = 105.200(13)°, Z = 2 and refined to an R factor of 0.046. The trans isomer crystallizes in the monoclinic space group P2₁/c with a = 10.7217(12)Å, b = 5.6797(7)Å, c = 25.415(5)Å, = 96.001(12)°, Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans structure the cyclohexane rings face one another.     

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.     

电沉积法制备ZnO纳米棒阵列及其发光特性

本文以掺F的SnO2导电玻璃为基板,以硝酸锌水溶液为电解液,采用三电极恒电位体系电沉积制备ZnO纳米棒阵列,系统考察了硝酸锌浓度和沉积电位等工艺参数对ZnO纳米棒阵列的微观形貌及其发光性能的影响规律.结果表明,硝酸锌浓度和沉积电位对纳米棒阵列的形貌有显著影响,控制适宜的工艺条件可以制备出直径分布均匀、结晶性好且纯度高的六方纤锌矿ZnO纳米棒阵列.荧光光谱分析表明,电沉积制备出的ZnO纳米棒阵列在385 nm附近有一个强荧光发射峰,且发光性能稳定、对纳米棒阵列微观形貌的细微变化不敏感,使其在发光二极管和激光器等领域具有广阔的应用前景.     

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.