锂组分对纯铌酸锂晶体光折变性能的影响研究

本文研究了低光强下锂组分对纯铌酸锂晶体的可见光折变、紫外光致吸收及紫外光折变性能的影响,发现了光折变中心种类和数量随晶体组分的渐变行为.在组分较低的同成分晶体中,大量本征缺陷形成Q极化子,因而在可见光波段表现出较弱的光生伏打效应;在组分较高的近化学计量比铌酸锂晶体中,双极化子是主要光折变中心,从而引起较高的光生伏打电场.而纯铌酸锂晶体的紫外光致吸收以及紫外光折变性能则具有相似的组分依赖关系.它们随组分的增加过程可分为两个不同的阶段:当组分小于49.70 mol;时,随组分增加缓慢升高,而当组分高于49.70 mol;时,随组分突然猛增并迅速升高.上述实验结果也可采用本征缺陷由Q极化子主导向双极化子主导的渐变过程进行解释.     

掺锆铌酸锂系列晶体

本文简介了掺锆铌酸锂系列晶体的研究进展,包括单掺锆铌酸锂、锆铁双掺铌酸锂、锆铁锰及锆铜铈三掺铌酸锂。掺锆铌酸锂晶体不但在可见波段具有远优于掺镁铌酸锂的抗光损伤能力,即使在近紫外波段,也拥有其它掺杂晶体所不具备的抗光损伤性能。锆铁双掺铌酸锂晶体兼有高光折变灵敏度和高光折变衍射效率的性质。锆铁锰和锆铜铈三掺铌酸锂晶体不但能够实现非挥发存储,其光折变响应速度及灵敏度都较铁锰和铜铈双掺晶体有大幅提高。这些实验结果表明,掺锆铌酸锂有望成为出色的非线性光学晶体。     

Cr∶LiNbO_3及Cr,Fe∶LiNbO_3晶体热释电系数提高的研究

生长了掺杂量分别为0.2mol%、0.5mol%的掺铬同成分配比铌酸锂晶体和掺铬0.2mol%、铁0.04mol%的双掺同成分配比铌酸锂晶体。利用动态电流法测试了它们的热释电系数。在同样的测试条件下,与未掺杂的同成分铌酸锂晶体相比较,掺铬铌酸锂(Cr∶LiNbO3)晶体和铬、铁双掺铌酸锂(Cr,Fe∶LiNbO3)晶体的热释电系数明显提高。同时对掺杂提高晶体热释电系数的机理进行了探讨。     

晶体人生丨祝世宁:从天然结构到人工微结构

与天然或人工晶体结构类似,微结构材料是采用功能基元(即人工微结构,也可称为“人工原子”)加空间序构的方式构筑的新材料体系,它可以实现均匀材料所不具有的超常物性。从半导体超晶格开始,人工微结构经历了光学超晶格、光(声)子晶体、超构材料等的发展,性能调控范围也由原来的电性能扩展到光、声、热、磁、力等。近年来有关铌酸锂晶体及其人工微结构研究举世瞩目,以南京大学为代表的中国科研团队从铌酸锂晶体的畴结构调控开始,在该领域做出许多原创性工作,研究水平居国际前列。展望未来,发展铌酸锂集成光子学还面临三方面的挑战,包括LNOI器件的刻蚀技术、铌酸锂晶圆缺陷和大尺寸铌酸锂薄膜的制备。     

铌酸锂晶体电击穿特性的研究

从电介质的击穿机理出发,用数学方法描述了电极注入电荷被介质捕获的全过程,详细分析了电介质的击穿特性并得出了电击穿现象的理论公式,通过同成分铌酸锂晶体和掺锌铌酸锂晶体的极化和击穿实验对理论分析的结果进行了验证,试验现象与理论分析吻合较好.     

一维大周期数声子晶体全反射隧穿的干涉理论

为了解释一维大周期数声子晶体全反射隧穿效应的产生机理,利用波的干涉理论推导出一维大周期数声子晶体的全反射隧穿峰的透射率公式和频率公式,成功解释了一维大周期数声子晶体的全反射隧穿现象的产生机理.利用干涉理论和共振理论对一维大周期数声子晶体全反射隧穿现象的特征进行了比较研究,两者的结论是一致的.     

四价掺杂铌酸锂晶体抗光折变性能研究

我们在同成份铌酸锂晶体中掺入四价离子铪,生长了掺杂浓度分别为2、4、6mol;的掺铪铌酸锂系列晶体.掺铪浓度达到4mol;时,晶体的抗光损伤能力为5×105W/cm2,比同成份纯铌酸锂晶体提高了4个数量级.应用全息法测得掺4、6mol;铪的铌酸锂晶体最大折射率变化为8.7×10-6,与高掺镁(6.5mol;)铌酸锂晶体的类似.晶体的红外吸收谱和紫外-可见光吸收谱也显示,掺杂浓度为4mol;时具有明显的阈值特征.由此可以确定铪离子在铌酸锂晶体中的阈值浓度约为4mol;.     

铌酸锂晶体的缺陷及其控制

针对铌酸锂晶体中的缺陷研究,本文总结了国内外学者提出的不同晶体缺陷模型及各自的特点,并介绍了我们提出的铌位依赖、锂位敏感模型.在分析晶体缺陷研究的基础上提出了对铌酸锂晶体进行缺陷控制的意义及理论依据,指出缺陷控制的主要任务是保护锂格位.本文还简要概括了铌酸锂晶体缺陷控制的主要手段,并建议从反映铌酸锂晶体性能的角度来研究缺陷结构.     

高掺镁铌酸锂晶体OH-吸收光谱的低温研究

本文测量了纯铌酸锂和高掺镁铌酸锂晶体的低温红外光谱,观察了OH-吸收峰的温度依赖特性.研究发现纯铌酸锂的OH-振动吸收峰基本不随温度而变化,而高掺镁铌酸锂晶体的OH-振动吸收峰的主峰峰位随温度的降低向高波数方向移动.通过分析两种晶体中不同的缺陷模型以及H+在晶格中的占位,我们提出高掺镁铌酸锂晶体中的H+紧邻高电性杂质缺陷(MgNb)3-分布,直接参与缺陷集团,完全不同于纯铌酸锂晶体中H+的分布情形,这造成了高掺镁铌酸锂晶体中OH-振动吸收峰随温度的变化.而集团内部缺陷之间相互作用随温度降低而增强的趋势是OH-振动吸收峰右移的主要原因.     

PT含量对压电单晶声子晶体SH波传输特性的影响

采用全局矩阵方法研究了水平剪切波(SH)在含[001].方向极化的PMN-xPT单晶/聚合物声子晶体复合材料中的传输特性.研究结果表明,PT含量对极化前声子晶体中SH波传输透射谱的影响较大;而极化后,SH波透过谱因PT含量不同导致第一禁带宽度最大相差10;,远小于极化方向对带隙的影响.因此制备PMN-xPT单晶/聚合物声子晶体,应主要从材料的极化方向和性能稳定两个维度选用单晶材料.     

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.