溶剂熔区移动法制备Cd0.9Zn0.1Te晶体及性能研究

用溶剂熔区移动法制备了掺In的Cd0.9Zn01Te晶体,晶体生长温度800℃,温度梯度为20℃/cm,生长速度0.4 mm/h.测试了晶体的Te夹杂情况、红外透过率图谱、Ⅰ～Ⅴ特性曲线和PICTS特性,并以1115℃下用VB法生长的掺In的Cd0.9Zn0.1Te晶体做为参照,对比了两者性能.结果表明,溶剂熔区移动法制备的晶体Te夹杂的密度和体积百分比比VB法晶片低,但是Te夹杂的尺寸要比VB法晶体大;溶剂熔区移动法晶体的红外透过率比VB法晶体高;溶剂熔区移动法晶体电阻率比VB法晶体高了一个数量级;PICTS测试发现,溶剂熔区移动法晶体内主要的缺陷密度低于VB法晶体.     

碲溶剂法生长的Zn1-xCrxTe稀磁半导体晶锭中富碲相的研究

利用碲溶剂法生长Zn1-xCrxTe晶体晶锭,用红外透过显微镜及扫描电子显微镜观察了晶锭不同位置富碲相的分布与形态.结果表明:晶锭的外围存在一层富碲相,Zn1-xCrx Te晶体的中部碲夹杂相较少,碲在晶界处易富集;红外透过显微成像所显示的晶粒内部的较大碲夹杂相呈六边形,而晶界处的碲夹杂相形状不规则.     

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.     

In掺杂对MVB-Te溶剂法生长的ZnTe晶体光电性能的影响

采用Te溶剂结合改进的垂直布里奇曼法(MVB)制备了In:ZnTe与ZnTe晶体,并对晶体的光学与电学特性进行了表征.通过红外透过显微成像技术观察了In:ZnTe与ZnTe中的Te夹杂并进行了统计分析,发现In掺杂未对ZnTe中的Te夹杂的分布和尺寸产生显著影响.红外透过光谱分析表明,In:ZnTe与ZnTe晶体的红外透过率曲线均表现出平直的趋势,且其平均透过率基本相等,约为60;,进一步表明In的掺入并未导致严重的晶格和杂质吸收.然而,Ⅰ-Ⅴ测试分析发现,In掺杂使得ZnTe晶体的电阻率提高了5个数量级.同时Hall测试分析表明,In:ZnTe与ZnTe晶体均为p型导电,In掺杂很大程度上补偿了晶体中的Vzn,使得晶体中的载流子浓度降低了4个数量级.对比了两种晶体的紫外-可见-近红外透过光谱,可以观察到,In掺杂使ZnTe的吸收边从550 nm红移到560nm,这可能是由于In掺杂引入的浅能级导致的吸收边带尾现象造成的.     

垂直Bridgman法生长Cd1-XMnxTe晶体的缺陷研究

本文采用垂直布里奇曼(Bridgman)法生长了尺寸为Φ30 mm×130mm的Cd1-xMnxTe晶体,利用Nakagawa腐蚀液显示了晶体的位错、Te夹杂相和孪晶缺陷,并采用傅立叶变换红外光谱仪研究了晶体的红外透过率与晶体缺陷之间的关系.结果表明:生长态Cd1-xMnxTe晶体的位错密度为104～105 cm-2,Te夹杂相密度为103～104cm-2,晶体中的孪晶主要为共格孪晶,孪晶面为[111]面,且平行于晶体生长方向.在入射光波数4000～500 cm-1范围,晶体的红外透过率为36.7;～55.3;,红外透过率越大,表明晶体的位错和Te夹杂相密度越低,晶体对该波长范围的红外光表现为晶格吸收和自由载流子吸收.     

Te溶剂-Bridgman法Cd0.9Mn0.1Te晶体生长习性研究

采用Te溶剂-Bridgman法生长了尺寸为φ30 mm× 60 mm的Cd0.9Mn0.1Te:In晶锭,通过淬火得到了生长界面形貌.测试了晶片在近红外波段的透过率和电阻;采用化学腐蚀的方法观察了晶片中位错,Te夹杂和孪晶界;采用光学显微镜和红外成像显微镜观察了生长界面处附近的形貌.测试结果表明,晶锭中部结晶质量较好的晶片红外透过率达到60％,电阻率达到2.828×1011Ω · cm.位错密度在106 cm-2数量级,Te夹杂密度为1.9×104 cm-2,同时孪晶密度明显低于Bridgman法生长的晶锭.生长界面宏观形貌平整,呈现微凹界面.但由于淬火过程的快速生长,界面微观形貌发生变化,呈现不规则界面,并在界面附近形成富Te相的包裹.     

Cd1-xZnx合金组元分压控制下高阻CdZnTe晶体的熔体生长

本文运用热力学关系估算了CdZnTe熔体平衡分压.尝试以Cd1-xZnx合金源替代Cd源控制Cd分压和Zn分压进行了Cd 0.8Zn 0.2Te晶体熔体生长,探讨了熔体分压与晶体电阻率的关系.获得的Cd 0.8Zn 0.2Te晶体的电阻率接近1010Ω·cm,高于同类方法文献报道1～2个数量级.晶体的结构完整性较好,平均腐蚀坑密度(EPD)为2×105cm-2,纵向组成分布偏离度在4;左右,红外透过率大于60;,晶体中第二相和沉淀物明显减少,优于仅采用Cd分压控制的Cd0.8Zn0.2Te晶体.     

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;.     

温度梯度法生长氟化钙晶体

用温度梯度法成功生长了直径75mm、完整、透明的氟化钙晶体,对晶体进行了TG-DTA测试分析,确定了其熔点为1413.5℃,并测试了晶体从190nm的紫外波段到40000nm的红外波段的透过率,发现从中紫外波段到红外波段氟化钙晶体的透过率已经能满足各种应用的要求,但在远紫外波段和真空紫外波段(246nm以下)氟化钙晶体的透过率需要进一步提高.     

低阻值In掺杂CdZnTe晶体的退火改性

以Cd_(1-y)Zn_y合金作退火源,对采用改进的垂直布里奇曼法(MVB)生长的In掺杂的Cd_(0.9)Zn_(0.1)Te晶片进行退火改性.结果表明:与退火前相比,退火后晶片的成分均匀性提高,Cd、Zn和Te三种元素的含量更接近理想的化学计量比,平均红外透过率由12;提高到59;,电阻率从3.5×10~6 Ω·cm提高到5.7×10~9 Ω·cm,且在PL谱中出现了代表晶体质量的(D~0,X)发光峰.在合适的条件下对低阻值In掺杂的CdZnTe晶体进行退火改性可较好的提高晶体的性能.     

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.