单晶金刚石p型和n型掺杂的研究

超宽禁带半导体材料金刚石在热导率、载流子迁移率和击穿场强等方面表现出优异的性质,在功率电子学领域具有广阔的应用前景。实现p型和n型导电是制备金刚石半导体器件的基础要求,其中p型金刚石的发展较为成熟,主流的掺杂元素是硼,但在高掺杂时存在空穴迁移率迅速下降的问题;n型金刚石目前主流的掺杂元素是磷,还存在杂质能级深、电离能较大的问题,以及掺杂之后金刚石晶体中的缺陷造成载流子浓度和迁移率都比较低,电阻率难以达到器件的要求。因此制备高质量的p型和n型金刚石成为研究者关注的焦点。本文主要介绍金刚石独特的物理性质,概述化学气相沉积法和离子注入法实现金刚石掺杂的基本原理和参数指标,进而回顾两种方法进行单晶金刚石薄膜p型和n型掺杂的研究进展,系统总结了其面临的问题并对未来方向进行了展望。     

高温高压硼掺杂金刚石辐照缺陷的生长晶面依赖性研究

硼是金刚石中最常见的受主元素之一,其在价带之上0.37 eV处形成了浅能级,因此硼掺杂金刚石被认为是一种理想的p型半导体材料。在化学气相沉积法制备的硼掺杂金刚石中,硼杂质在晶体中的分布非常不均匀,其拉曼信号强度对测试位置的依赖性非常强,且可重复性很差。而对于高温高压法合成的硼掺杂金刚石来说,同一晶面上硼杂质分布变化较小。本文利用低温光致发光光谱研究了高温高压法合成的硼掺杂金刚石辐照缺陷的光致发光性质,并利用晶体生长理论讨论了辐照缺陷在不同晶面上的分布情况。     

硼协同掺杂金刚石单晶的高温高压合成

金刚石是一种具有优异性能的极限性超硬多功能材料。人工合成的金刚石可通过掺杂的方式使其具有各种独特的性质。掺硼金刚石兼具p型半导体的导电特性和金刚石自身优良的物理和化学性能,在国防、医疗、勘探、科研等领域具有极高的应用价值。本文基于本课题组高温高压(HPHT)法合成的系列掺硼金刚石以及硼协同掺杂金刚石单晶,进行了硼掺杂金刚石、硼氢协同掺杂金刚石以及硼氮协同掺杂金刚石的合成和性能特征等方面的研究。通过表征合成样品在光学、电学方面的性能,探讨了不同掺杂添加剂对合成金刚石性能的影响,为合成高性能的半导体金刚石提供了思路。     

Bi掺杂量对Mg-Si-Sn-Bi材料热电性能的影响

利用粉末冷压成型及真空烧结制备了不同Bi掺杂量的Mg-Si-Sn-Bi材料,并对制备材料组成和热电性能进行研究.结果表明,制备材料由Mg2Sn、Mg2Si和Mg2(Si,Sn)固溶体相组成.随测试温度的增加,制备材料的电阻率都急剧减小,这是典型的半导体特征.在研究范围内,掺杂Bi元素含量增加,制备材料的电阻率开始逐渐减小,但Bi掺杂量增加到一定值后,材料的电阻率又增加,而且掺杂后的材料电阻率都低于未掺杂的.制备材料的Seebeck系数是负值,表明这些材料都为n型半导体.对于掺杂Bi的材料,随着测试温度由室温增加到730 K,测得的Seebeck系数绝对值开始时轻微增加,约在240～270 K达到最大值,再随着温度增加,Seebeck系数绝对值又显著单调减小.对于掺杂Bi元素的材料,随Bi掺杂量的增加,Seebeck系数的绝对值先减少后增加,这是掺杂造成载流子浓度增加和散射过程加大相互竞争的结果.掺杂Bi的Mg-Si-Sn材料的功率因子都高于未掺杂的材料,且Bi掺杂量增加,制备材料的功率因子显著增加.对于1.29at; Bi和1.63at; Bi掺杂量的材料,功率因子分别在500 K和530 K存在一个极大值.     

MPCVD单晶金刚石生长及其电子器件研究进展

本综述分析了微波等离子化学气相沉积(MPCVD)单晶金刚石生长及其电子器件近年来的研究进展,并对其进行展望.详细介绍了金刚石宽禁带半导体特性、生长原理、生长设备、衬底处理.研究了影响MPCVD单晶金刚石生长的关键因素,为获得最优生长条件提供指导.分析了横向外延、拼接生长、三维生长等关键性生长技术,逐步提高单晶金刚石的质量和面积.在金刚石掺杂的研究中,详细介绍了n型和p型掺杂的研究进展.通过对金刚石肖特基二极管、氢终端金刚石场效应晶体管、紫外探测器的研究,展现了金刚石在电子器件领域的成果和进展.最后总结了MPCVD单晶金刚石生长及其电子应用过程中面临的挑战,展望了金刚石在电子器件领域的巨大应用前景.     

AlGaN基宽禁带半导体光电材料与器件

AlGaN基材料是带隙可调的直接带隙宽禁带半导体材料,是制备紫外(UV)光电子器件的理想材料.经过数十年的研究,目前已经在异质衬底外延生长AlGaN基材料、高效掺杂等方面取得了巨大进展.以此为基础,AlGaN基紫外光电器件制备领域也得到长足发展.在本综述中,主要介绍了高质量AlGaN基材料的MOCVD外延生长方法、掺杂方法以及近年来在紫外发光、紫外探测器件方面取得的进展.     

复相导电陶瓷的导电机理分析

讨论了复相导电陶瓷改性问题的研究,详细介绍了N型、P型、电子离子弥补型以及加入连通导电相型导电陶瓷各自典型的机理和电阻率的变化.分析表明:非半导体导电陶瓷是通过加入掺杂物引起基体晶格畸变或发生取代引起电子、离子的浓度变化来影响电阻率的变化;半导体导电陶瓷是通过掺杂第五主族元素或第三主族元素分别形成N型半导体或P型半导体,产生大量的多余电子或可移动空穴,明显降低了材料的电阻率;连通导电相型导电陶瓷是在基体中掺杂导电相形成网状的导电连通相,从而为电子的转移提供了导电通道;最后对ZrB2改性SiC基导电陶瓷进行了展望.     

Bas晶体生长研究进展

立方砷化硼(BAs)为间接带隙、闪锌矿结构的Ⅲ-Ⅴ族化合物半导体材料.理论分析预测BAs具有仅次于金刚石的超高热导率,在电子器件散热领域表现出广阔应用前景,成为当前的研究热点.近年来立方BAs单晶材料的制备取得突破性进展,采用化学气相传输法(CVT)合成了毫米尺寸的高质量单晶,室温下热导率高达1300 W·m-1·K-...     

Sb-Na共掺p型ZnO的第一性原理研究

运用密度泛函理论,计算了Sbzn、Nazn、Sbzn-nNazn掺杂ZnO晶体的稳定性、能带结构和电子态密度.研究发现Sbzn、Nazn、Sbzn-nNazn掺杂ZnO晶体的结构稳定,Sb-Na共掺杂改善了体系的固溶度.能带结构表明,SbZn体系为n型间接带隙半导体材料;NaZn、Sbzn-2NaZn体系为p型半导体材料;Sbzn-NaZn、SbZn-3NaZn体系为本征半导体材料.对p型半导体材料体系的导电性能研究发现,Sbzn-2Nazn体系电导率大于NaZn体系的电导率,即Sbzn-2NaZn掺杂改善了体系的导电性.计算结果为实验制备p型ZnO材料提供了理论指导.     

超声喷雾热解法制备稀磁掺杂ZnO薄膜的研究

近年来,基于ZnO稀磁半导体在自旋电子器件方面的潜在应用价值,过渡金属掺杂的ZnO材料被广泛研究.但由于p型ZnO材料的制备非常困难,获得具有室温以上居里温度的Mn掺杂p型ZnO基稀磁半导体仍然是个难题.在N-In共掺杂成功实现ZnO薄膜p型掺杂的前期研究基础上,本研究采用超声喷雾热解(USP)法在Si基底上制备了Zn1-x,MnxO系列薄膜样品.X射线衍射表明所有ZnO薄膜样品都具有纤锌矿结构,没有发现其他物相的衍射峰存在.薄膜形貌研究发现,样品中的颗粒分布均匀.磁性测量表明N-Mn-In掺杂的样品显示出室温铁磁性.对N-Mn共掺杂和N-Mn-In掺杂的样品进行热处理后,发现薄膜的铁磁性能与薄膜中的空穴载流子具有直接的关联,这一现象与Mn掺杂的p型ZnO会显示室温铁磁性的理论预测是一致的,并用束缚磁性极化子模型解释了ZnO薄膜的铁磁性来源.     

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.