碲锌镉单晶体的(110)面蚀坑形貌观察

本文报道了一种能够在室温下择优腐蚀碲锌镉(CZT)单晶体(110)晶面的腐蚀液配方,并对富Cd生长的CZT晶体蚀坑形貌进行了扫描电镜观察.结果表明晶体(110)面腐蚀坑形状为三角形,并初步对蚀坑的成因进行了分析,估算出CZT(110)面蚀坑密度约为103～105/cm2数量级.这说明富Cd原料的改进布里奇曼法可以生长出低蚀坑密度的CZT单晶体.     

室温核辐射探测器用碲锌镉晶体生长研究进展

碲锌镉(CdZnTe,CZT)晶体被认为是目前最有前途的室温半导体探测器材料之一,基于该晶体的探测器件具有能量分辨率高、体积小、便携等优点.而大面积CZT像素探测器的快速发展以及对高能、大剂量X射线探测的需求,对CZT材料的质量和尺寸提出了更高的要求.本文从CZT晶体的基本物性参数入手,探讨了大尺寸CZT晶体生长的影响因素,对两种主要的CZT生长方法——布里奇曼法和移动加热器法的研究进展进行了综述.     

探测未知,造福人类——室温半导体核辐射探测材料碲锌镉

正自1895年伦琴发现X射线,人类首次接触到这种看不见摸不着的"光",到后来以光子能量区分射线,逐渐完善了对辐射概念的认识,这一认知过程始于射线探测。X/γ射线探测器的发展经历了第一代气体探测器、第二代闪烁体探测器,到今天的第三代半导体探测器。半导体探测器基于光电效应的直接转化过程,大大提高了能量分辨率。碲锌镉晶体(Cd1-xZnxTe,CZT)因其具有较大的禁带宽度,较高的原子序数,极高的能量分辨率等优势,成为国际公认的在10 keV到     

大尺寸非规则碲锌镉晶片双面抛光技术

碲锌镉(CdZnTe)晶体性能优越,是高性能碲镉汞(HgCdTe)外延薄膜的首选衬底材料。双面抛光是一种加工质量较高的碲锌镉晶片表面抛光方式,其具有效率高、平整度好、晶片应力堆积少的优点。但当碲锌镉晶片尺寸增大后,其加工难度也随之上升,易出现碎片多、加工速率慢、表面平整度差等问题。本文开展了大尺寸非规则碲锌镉晶片双面抛光技术研究,深入分析了面积大于50 cm²的非规则碲锌镉晶片双面抛光工艺中,不同参数对抛光质量的影响,通过模拟并优化晶片运动轨迹,优化抛光液磨粒粒型、抛光压力、抛光液流量等抛光工艺参数,实现了具有较高抛光速率和较好表面质量的大尺寸非规则碲锌镉晶片双面抛光加工,对进一步深入研究双面抛光技术有着重要意义。     

CdZnTe晶体的缺陷能级分析

通过测试富Cd原料无籽晶垂直布里奇曼法生长出的高阻Cd0.8Zn0.2Te (CZT)单晶体的I-T特性曲线,利用热激活能原理来分析单晶体内的缺陷,结果得到晶体中有一个由镉空位引起的电子陷阱,其深度为0.539eV.由于俘获能级有较高的激活能,在常温下,价带上的载流子不会被激发,所以该晶体适用于制作室温核辐射探测器.另外还研究了CZT晶体在室温下的I-V特性,测得采用该方法生长的CZT单晶体电阻率高达5.0×1010Ω*cm,制作的核辐射探测器在室温下获得了比较好的241Am 59.5keV能谱.     

碲锌镉晶体高效低损伤CMP工艺研究

本文采用新型的自行研制的化学机械抛光液,对碲锌镉晶体进行了化学机械抛光方法的尝试性试验,并分析了在化学机械抛光(CMP)过程中抛光垫的硬度、磨料的种类、氧化剂、抛光液的pH值对表面质量和材料去除率的影响,提出适合软脆功能晶体碲锌镉的高效低损伤抛光工艺.结果表明,采用自行研制的带有硝酸的化学机械抛光液,在pH优化值为2.5时,15 min即可获得Ra为0.67 nm的超光滑无损伤表面,大大提高了加工效率和精度.     

碲锌镉晶体晶格畸变的测定与分析

在高分辨X射线衍射仪上,利用不对称布拉格衍射STD技术与单晶摇摆曲线技术相结合的方法,对碲锌镉单晶材料的晶格畸变进行了分析测定.此方法实现了一次装样,多角度、多次测定晶体的摇摆曲线,从而利用多组实验数据完成多元线性回归方程组的求解,避开了一般应变测定方法中难以确定无应力状态下衍射角的问题.所测定的生长态碲锌镉晶片晶格畸变量为10-3～10-2数量级,该畸变量是碲锌镉晶片存在成份偏析、位错和空位等缺陷以及晶片受到的应力综合作用的结果.     

碲镉汞晶体组分及其均匀性控制研究

本文利用碲镉汞膺二元固液T-X相图对碲镉汞晶体生长方法进行了分类研究;分析了影响碲镉汞晶体组分及其均匀性的因素,提出了存在的问题和改善的措施;认为在特定组分的固相线温度(相图中的B点)生长碲镉汞晶体是一种比较有效的方法,并报道了采用双相复合维持液相成份生长大直径40mm碲镉汞晶体组分控制研究的结果(在S≈12cm2的晶片面积上,x＝0.218±0.003).     

碲锌镉单晶体的正电子寿命研究

用正电子湮没技术(PAT)研究了原料富Cd改进布里奇曼法生长的碲锌镉单晶样品退火前后的缺陷.刚生长的样品缺陷寿命值较高,其内部存在的点缺陷主要是占优势的Cd空位,用富Cd同成份源Cd1-xZnxTe气氛对样品在不同温度下等时退火后,发现样品的正电子寿命参数对退火温度表现出很强的依赖关系,通过对样品退火过程中空位的迁移、聚集及消失情况分析,得出较适宜的退火温度约为700℃.     

移动加热器法生长CdMnTe和CdZnTe晶体的性能研究

采用移动加热器法生长铟惨杂浓度为5×1017 atoms/cm3的Cd0.9Mn0.1Te (CMT)和Cd0.9Zn0.1Te (CZT)单晶.生长得到的CMT晶体和CZT晶体电阻率范围为4.5×109 ～ 6.2×1010 Ω·cm.CMT晶体的成分均匀性要优于CZT晶体,拟合得到CMT和CZT晶体中Mn和Zn的分凝系数分别为0.95和1.23.富Te区在两种晶体生长过程中都具有显著的提纯作用,In惨杂的浓度范围均在6.4 ～ 14.4 ppm范围内.红外透射显微镜观察到三角形和六边形为主的Te夹杂的尺寸5 ～24 μm,浓度为105 cm-3.除最后结晶区之外,沿晶体生长方向Te夹杂的尺寸逐渐减小而浓度逐渐增大.制备的CMT和CZT探测器对59.5 keV241Am放射源均有能谱响应,能量分辨率分别为23.2;和24.6;.     

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 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.     

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.     

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.     

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.