磷锗锌单晶体的腐蚀研究

报道了一种新的ZnGeP2晶体择优腐蚀剂及其腐蚀工艺,即先采用研磨、物理机械抛光和HCl+HNO3热化学抛光获得表面平整无划痕的ZnGeP2晶片,然后将晶片在室温下采用HF(40;):HNO3(65;):CH3COOH(99.5;):H2O:I2=2 mL:2 mL:1 mL:1 mL:4 mg腐蚀剂超声振荡腐蚀8 min;在扫描电镜下观察到ZGP(110)和(204)晶面的腐蚀坑,蚀坑形貌清晰,具有立体感,(110)晶面蚀坑呈四边形,(204)晶面蚀坑呈五边形,取向一致,蚀坑密度(EPD)约为104/cm2.从理论上对蚀坑形貌的形成机理进行了分析.     

硫镓银晶体的化学腐蚀研究

采用改进的垂直布里奇曼(Bridgman)法自发成核生长AgGaS2晶体,在生长初期对生长安瓿籽晶袋进行上提回熔,生长出外观完整、无裂纹的大尺寸AgCaS2单晶体.采用XRD对晶体进行分析,获得了(112)、(001)和(101)面的高强度尖锐衍射峰.采用不同配比的腐蚀剂对晶体(101)、(112)及(001)晶面进行化学腐蚀,然后采用金相显微镜和扫描电镜观察,结果显示,(101)晶面蚀坑为清晰的近似三角形的四边形蚀坑,(112)晶面蚀坑为清晰的近似三角锥形,(001)晶面则呈现互相垂直的腐蚀线.初步分析了不同蚀坑的形成原因,计算出(101)和(112)面蚀坑密度约为105/cm2数量级.结果表明,改进方法生长出的大尺寸AgGaS2单晶体结构完整、位错密度低,质量较好.     

中远红外非线性光学晶体AgGaS2、AgGaSe2和AgGa1-xInxSe2研究进展

综合报道了本实验室关于黄铜矿类I-III-VI2型系列晶体的研究进展。采用两温区气相输运温度振荡法合成出高纯、单相、致密的多晶材料,在三温区立式炉中用坩埚旋转下降法生长出AgGaS2、AgGaSe2和AgGa1-xInxSe2等系列单晶体,X射线单晶衍射谱和回摆谱表明晶体的结晶性好,结构完整;红外透过率接近理论值,吸收系数低于0.017 cm-1,表明生长的晶体光学质量高。研究出一种新的能对AgGa1-xInxSe2晶体(112)晶面进行择优腐蚀的腐蚀剂:(30 g CrO3+10 mL H2O)∶H4PO4(85%)∶HNO3(65～68%)∶HF(40%)=10∶10∶10∶2(体积比),在60℃下腐蚀40 min,能够清晰地显示出AgGa1-xInxSe2晶体(112)面取向一致的三角形腐蚀坑,边界清晰,蚀坑密度大约为105/cm2数量级。采用自行研制的晶体定向切割新方法,加工出AgGa1-xInxSe2-OPO器件,获得了3～5μm的激光输出,光-光转换效率达21%。     

硫镓银晶体(112)面蚀坑形貌研究

本文报道了一种能在室温下对硫镓银晶体(112)面进行择优腐蚀的新腐蚀液配方,采用新腐蚀液对改进的Bridgman法生长的AgGaS2晶体进行腐蚀,用扫描电镜对蚀坑进行了观察,得到了清晰的(112)面蚀坑形貌,形状为三角锥形.初步解释了蚀坑的形成原因.AgGaS2晶体低指数的{100}面的腐蚀速度较慢,在腐蚀过程中逐渐显露出来,最终使晶体(112)面呈现出三角锥形蚀坑形貌.     

温梯法Al2O3晶体位错形貌分析

用温度梯度法(Temperature Gradient Technique,简称温梯法或TGT法),定向籽晶[0001]方向,生长出φ110mm×80mm Al2O3单晶,晶体完整、透明.采用硼酸钠玻璃液作为Al2O3晶体的化学抛光和化学腐蚀剂,观察了晶体不同部位处(0001)、(112-0)晶片的化学腐蚀形貌相,(0001)切片的位错腐蚀坑呈三角形,位错密度为2×103～3×103/cm2;(112-0)切片位错腐蚀坑呈菱形,位错密度为7×103～8×103/cm2;而且等径生长部位的完整性比放肩处高.利用同步辐射X射线白光衍射实验分析了(0001)晶片的(2-021),(11-01)和(112-0)衍射面内的位错组态.确定了两组位错线的Burgers矢量,温梯法生长的Al2O3晶体中的位错主要是刃型位错.     

硒铟镓银单晶体(112)面蚀坑形貌观察

研究出一种能在室温下对AgGa0.8In0.2Se2晶体(112)面进行择优腐蚀的新腐蚀液配方,提出了一种适合AgGa0.8In0.2Se2晶体择优腐蚀的新工艺。采用改进的Bridgman法生长出AgGa0.8In0.2Se2晶体,对晶体进行定向切割出(112)面晶片;然后对晶片进行研磨、机械抛光,使其表面平整无划痕;再将晶片用新腐蚀液,浓HNO3(65%～68%)∶浓HCl(35%～38%)=1∶2.5(体积比),在室温下腐蚀5min,同时进行超声振荡。采用金相显微镜对腐蚀后的晶片表面进行观察,发现清晰的蚀坑形貌,形状近似为正三角形,并对(112)面蚀坑的形成及其形貌成因进行了理论分析。     

化学腐蚀法研究Nd:YAG晶体位错

采用化学腐蚀法研究Nd∶YAG晶体位错.研究发现,腐蚀剂、腐蚀温度以及腐蚀时间对位错的显示都有影响.浓磷酸腐蚀剂在220 ℃下腐蚀20 min时,显示的位错最为清晰.蚀坑形状为菱形,经过计算,位错密度大约为10~3 cm~(-2).同一种腐蚀剂在不同的腐蚀时间所形成的位错蚀坑大小和形貌是不同的.同时发现在样品的边缘有位错塞积群.     

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.     

CLBO晶体表面化学腐蚀和开裂机理的研究

硼酸锂铯(CLBO)是一种性能优良的紫外倍频晶体,但在室温大气环境中使用时晶体容易开裂,影响了它的实际应用.本文用水(或/和)甘油作为腐蚀剂,对不同取向的CLBO晶体表面进行了腐蚀,对比了表面的腐蚀图案;通过纯甘油和纯水的腐蚀剂作用对比,并结合CLBO晶体晶胞内原子的排列情况,揭示了CLBO晶体开裂的微观机理:水分子从(100)或者(010)面上的结构通道进入CLBO晶体,与Cs、Li和B原子反应,生成Cs2B10O16·8H2O、α-Li4B2O5和H3BO3,打开了CLBO晶体的键链,从而引起晶体的开裂;最后展示了CLBO晶体由于水的侵蚀而开裂的全过程.     

锆石腐蚀像立体模型的建立及与晶体对称的关系

对锆石晶体四方柱｛100｝面和{110｝面、四方双锥{101｝面、以及介于上述晶面之间的切面进行了腐蚀像的观察研究,建立了锆石晶体腐蚀像在三维空间分布的立体模型.锆石晶体上属于同种单形的晶面(切面)其腐蚀坑形态相同,不同单形的晶面(切面)腐蚀坑形态则不同;腐蚀坑形态体现了晶体的对称性.锆石晶体各晶面(切面)的腐蚀坑形态在三维空间分布的立体模型和投影图可用来进行锆石晶体的定向,揭示锆石不同晶面的溶蚀现象,并可为锆石的裂变径迹测年研究提供晶体定向理论依据.     

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。     

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。     

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.     

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).     

X-ray analysis of sideroxol from <Emphasis Type="Italic">Sideritis leptoclada</Emphasis>

Sideroxol (1), a kaurane diterpene which has the ent-7α,18-dihydroxy-15β,16β-epoxykaurane structure (MW = 320.47, C₂₀H₃₂O₃) was obtained from the acetone extract of Sideritis leptoclada plant as well as from some other Sideritis species. It crystallizes in the orthorhombic space group P2₁, 2₁, 2₁ with a = 10.967(3), b = 24.555(5), c = 6.372(4) Å, Dc = 1.240 g cm⁻³, Z = 4, and refines to R = 0.065 for 721 independent reflections. The skeleton consists of three fused six-membered rings and a five-membered ring with fused epoxide. The six membered rings exhibited slightly distorted chair conformation. In addition to sideroxol, two kaurane and five kaurene diterpenes were isolated from the hexane and acetone extracts of the studied plant.     

New zeotype borophosphates with chiral tetrahedral topology: (H)0.5M1.25(H2O)1.5[BP2O8]·H2O (M = Co(II) and Mn(II))

Two new isostructural open‐framework zeotype transition metal borophosphate compounds, (H)_0.5M_1.25(H₂O)_1.5[BP₂O₈]·H₂O (M = Co(II) and Mn(II)) were synthesized by mild hydrothermal method. The structure of compounds were characterized by single‐crystal X‐ray diffraction which have ordered, alternating, vertex‐sharing BO₄, PO₄, and (MO₄)OM(H₂O)₂ groups with hexagonal, P 6₁ 2 2 (No 178) space group and unit cell parameters for Co a = 9.4960(6) Å, c = 15.6230(13) Å, for Mn a = 9.6547(12) Å, c = 15.791(3) Å, Z = 1 for both of them. TGA/DTA analysis, IR spectroscopy were used for characterization. Magnetic susceptibility measurements for both of the compound indicate strong antiferromagnetic interaction between metal centers. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Photoluminescence characteristics of Mg- and Si-doped GaN thin films grown by MOCVD technique

We have studied the optical, structural and surface morphology of doped and undoped GaN thin films. The p- and n-type thin films have been successfully prepared by low-pressure MOCVD technique by doping with Mg and Si, respectively. The different carrier concentrations were obtained in the GaN thin films by varying dopant concentrations. Photoluminescence (PL) studies were carried to find the defect levels in the doped and undoped GaN thin films at low temperature. In the undoped GaN thin films, a low intensity and broad yellow band peak was observed. The donor–acceptor pair (DAP) emission and its phonon replicas were observed in both the Si or Mg lightly doped GaN thin films. The dominance of the blue and the yellow emissions increased in the PL spectra, as the carrier concentration was increased. The XRD and SEM analyses were employed to study the structural and surface morphology of the films, respectively. Both the doped and the undoped films exhibited hexagonal structure and polycrystalline nature. Mg-doped GaN thin films showed columnar structure whereas Si-doped films exhibited spherical shape grains.