He离子注入对Ge中缺陷行为的影响研究

本文采用以蒙特卡罗方法为基础的SRIM软件模拟He离子注入对Ge中缺陷行为的影响,为高质量GOI(绝缘体上Ge)材料的制备提供理论指导。本文主要模拟了He离子入射角度、能量以及注入剂量对Ge材料损伤程度和溅射产额等的影响。研究表明:入射角度较小时,拖尾效应不明显,有利于避免沟道效应,同时缺陷空位数(DPA)也处于较低水平;能量增大导致离子射程增大,溅射产额减小,离表面越近的Ge中DPA变少,可以实现低DPA GOI材料的制备;离子注入剂量增大导致损伤区域增大且集中,然而更多的He离子聚集在射程附近,能够很好地降低GOI材料的剥离温度。     

退火时间对铝诱导非晶硅薄膜晶化过程的影响

基于铝诱导非晶硅薄膜固相晶化方法,利用直流磁控溅射离子镀技术制备了Al/ Si…Al/ Si/ glass周期性结构的薄膜.采用真空退火炉对Al/ Si多层薄膜进行了500℃退火实验,通过透射电子显微镜(TEM)分析了不同退火时间下Al/ Si多层薄膜截面形貌的变化规律,并结合扩散过程探讨了退火时间对铝诱导非晶硅薄膜晶化过程的影响机理.研究结果表明:在铝诱导非晶硅薄膜固相晶化过程中,在退火过程的初期,晶态硅薄膜的生长主要来源于因Al的存在而形成的硅初始品核数量增加的贡献.随退火时间的延长,晶态硅薄膜的生长主要是依靠临界浓度线已推进区域中未参与形核的硅原子扩散至初始品核位置并进行外延生长来实现的.经500℃退火1 h后,Al/ Si薄膜的截面形貌巾出现了沿Si(111)晶面生长的栾品组织.     

激光退火实现非晶Si晶化的成核势垒研究

采用脉冲激光烧蚀技术,在真空条件下沉积了一系列非晶Si薄膜,并对薄膜样品进行不同能量密度的激光退火处理.通过扫描电子显微镜(SEM)、X射线衍射仪(XRD)、Raman散射仪(Raman)等手段对退火后的薄膜进行形貌、晶态成分表征,确定了非晶Si薄膜晶化的激光能量密度阈值(85 mJ/cm2).结合激光晶化机理进行定量计算.结果显示:形成一个18 nm的Si晶粒所需要的能量,即成核势垒大小约为1.4×10-9 mJ.     

铝层厚度对铝诱导非晶硅薄膜晶化过程的影响

基于铝诱导非晶硅薄膜固相晶化方法,利用直流磁控溅射离子镀技术制备了Al/Si/…Al/Si/glass周期性结构的薄膜.采用真空退火炉对Al/Si多层薄膜进行了500℃退火实验,通过透射电子显微镜(TEM)分析了退火前、后Al/Si多层薄膜截面形貌的变化规律,并结合扩散过程探讨了铝层厚度对铝诱导非晶硅薄膜晶化过程的本质影响机理.研究结果表明:在铝诱导非晶硅薄膜固相晶化过程中,随退火过程的进行,Al、Si原子会沿Al/si层间界面进行互扩散运动且在Si层中达到临界浓度Cs的Al原子所在区域整体呈线形平行于Al/Si界面逐渐向铝原子扩散距离增大的方向推进;随着Al层厚度的增加,Al在Si层中达到临界浓度Cs的区域整体向前推进速度加快,已扩散区域产生硅初始晶核的数量也随之增大;随Al/Si层厚比的增大,虽因铝诱导而晶化的硅薄膜均为多晶态,但非晶硅薄膜在晶化过程中的生长晶面数量增多,同时硅晶粒的尺寸有所减小.     

二次退火制备Ⅲ-Ⅴ族半导体量子点

利用离子注入法在一块Si(001)衬底上注入了In+和As+,注入能量分别为210keV,150keV,注入剂量6.2×1016cm-2,8.6×1016cm-2,另一块Si(001)衬底上注入Ga+和Sb+,注入能量分别为140keV,220keV,注入剂量分别为8.2×1016cm-2,6.2×1016cm-2,然后对样品分别经过一次退火和二次退火处理制备出了Si基量子点材料。用透射电子显微镜(TEM)和高分辨透射电子显微镜(HRTEM)观察了退火后量子点截面像,用PL探测量子点的光致发光谱,发现经二次退火生长的量子点微晶格结构和Si衬底损伤的修复均明显优于一次退火。     

退火温度对La3Ga5SiO14薄膜结构及表面形貌的影响

采用脉冲激光沉积技术在Si(100)衬底上制备了La3Ga5SiO14薄膜,并研究了不同的退火温度对薄膜结构和表面形貌的影响.衬底温度为室温时生长的薄膜经过800 ℃以上的高温退火后,由最初的无定形态转变为无规则取向的多晶结构.衬底温度为400 ℃时生长的薄膜经过800 ℃退火处理后呈现无序的多晶形态.当退火温度进一步升高至1000 ℃时,XRD图谱显示薄膜由最初的(220)和(300)两个结晶方向转变为以(200)和(400)为主要取向的多晶结构.表面形貌分析表明:衬底温度为400 ℃时,随着退火温度的升高,薄膜颗粒尺寸逐渐增大,表面无裂纹,而衬底温度为室温时生长的薄膜退火后则出现大量的裂缝、孔洞等缺陷.     

Si中Nd离子热退火行为的深能级瞬态谱研究

本文采用高能离子注入技术将两种剂量的稀土元素钕(Nd)引入外延n-Si片中,并借助非相干光快速热退火(RTA)方法使注入层再结晶并电激活;利用深能级瞬态谱(DLTS)测量方法对Si中Nd离子的深能级行为进行了研究.结果发现:经几秒钟的RTA处理,Nd能在Si中被激活并形成深能级中心,测量到较宽的DLTS谱峰.Nd在n-Si中的深能级行为与Si衬底材料的浅能级杂质基本无关.在低于1285℃的RTA时,Nd形成的深能级中心均为施主型.深能级中心的位置随注入剂量和退火温度不同而有所变化;高温退火后,Nd在硅中有一个能级位置为Ec-(0.32±0.04)eV稳定的施主型深中心,对它的成因进行了讨论.     

掺硼纳米晶粒多晶Si薄膜的结构特征与电学特性

采用低压化学气相沉积(LPCVD)工艺,以SiH4作为反应气体源和B2H6作为硼(B)掺杂剂,在单晶Si或石英表面上,通过原位掺杂制备了掺B的纳米晶粒多晶Si(nc-poly-Si(B))薄膜.利用扫描电子显微镜(SEM)、原子力显微镜(AFM)和拉曼光谱等手段,检测和分析了沉积膜层的表面形貌、晶粒尺寸和密度分布等结构特征.结果表明,在典型工艺条件下,获得了晶粒尺寸为大约15 nm和密度分布为大约9 × 1010cm-2的nc-poly-Si(B)薄膜.样品经退火处理后,Si晶粒尺寸变大,排列更加有序,而且电导特性明显改善.利用常规四探针法测量了样品的薄层电阻.并讨论了B掺杂浓度和退火温度对薄膜电学性质的影响.     

快速退火对PZT铁电薄膜结构的影响

采用射频磁控溅射方法在Pt/Ti/SiO2/Si衬底上制备出(PZT)铁电薄膜,在550℃、600℃、650℃、700℃几个温度下对薄膜进行了快速退火热处理,并在退火处理后用X射线衍射、原子力显微镜和热释电系数测试系统研究了PZT铁电薄膜的薄膜结构、表面形貌及热释电性能.在650℃快速退火后,PZT铁电薄膜已经形成较好的钙钛矿相结构,并获得了较好的热释电性能,热释电系数达到1.5×10-8C·cm-2·k-1.     

Si和6H-SiC衬底上β-FeSi2薄膜的制备

以6H-SiC (0001) Si面和Si(100)为衬底,采用磁控溅射Fe-Si合金靶和Si靶两靶共溅射的方法,并经过后续的快速退火成功制备了β-FeSi2薄膜.通过X射线衍射(XRD)、拉曼(RAMAN)和电子扫描电镜(SEM)研究了不同衬底对薄膜生长过程的影响.结果表明:与Si衬底不同,6H-SiC为衬底所生长的FeSix薄膜与衬底之间很难产生相互扩散,导致薄膜中的Si原子主要来源于靶材.同时分析不同退火温度对6H-SiC衬底和Si衬底上的FeSix薄膜的影响,并相比较.结果表明:不同衬底Si(100)和6H-SiC (0001) Si面所生长的薄膜经900℃退火时皆完全转化为多晶β-FeSi2相,其择优取向皆为(220)/(202),且随温度从500℃到900℃的不断上升,(220)/(202)衍射峰的强度增强,半高宽变小,得到900℃下的半高宽为0.33°.     

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.     

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.     

Synthesis of spinacine and spinacine derivatives: crystal and molecular structures of Nπ-hydroxymethyl spinacine and Nα-methyl spinaceamine

The natural amino acid L-Spinacine (4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid) has been synthesized following a new pathway which gives a chemically and optically pure product with an excellent yield. The crystal structures of a synthetic intermediate, N^π-hydroxymethyl-spinacine, and a spinacine derivative, N^α-methyl-spinaceamine, have been investigated through X-ray diffraction: Spi(πMeOH)·H₂O, monoclinicP2 _i,a=8.571(1),b=6.682(1),c=8.588(1) Å, and β=94.67(1)^o. Spm(αMe)·2HCl·H₂O, triclinicP l,a=7.492(4),b=10.799(3),c=7.040(2) Å, α=91.88(2), β=98.36(3) and γ=73.34(3)^o. Spi(πMeOH) crystallizes with a water molecule and displays a zwitterionic character. The carboxylate group is in equatorial position and forms a short electrostatic interaction of 2.618(2) Å between one of its oxygens and the protonated nitrogen of the tetrahydropyridine ring. The crystal packing is assured by strong O?H???O, O?H???N, N?H???N intermolecular hydrogen bonds and C?H???O close contacts. The biprotonated compounds Spm(αMe) crystallizes with two Cl^? anions and a water molecule. The positive charge on the imidazole ring is delocalized on the conjugated moiety N=C?N. The crystal is built up by clusters formed by two biprotonated Spm(αMe) molecules, four Cl^? anions and two water molecules linked together by hydrogen bonds.