Structure and stability of a silicon cluster on sequential doping with carbon atoms

SiC is a highly stable material in bulk. On the other hand, alloys of silicon and carbon at nanoscale length are interesting from both technological as well fundamental view point and are being currently synthesized by various experimental groups (Truong et. al., 2015 [26]). In the present work, we identify a well-known silicon cluster viz., Si₁₀ and dope it sequentially with carbon atoms. The evolution of electronic structure (spin state and the structural properties) on doping, the charge redistribution and structural properties are analyzed. It is interesting to note that the ground state SiC clusters prefer to be in the lowest spin state. Further, it is seen that carbon atoms are the electron rich centres while silicon atoms are electron deficient in every SiC alloy cluster. The carbon–carbon bond lengths in alloy clusters are equivalent to those seen in fullerene molecules. Interestingly, the carbon atoms tend to aggregate together with silicon atoms surrounding them by donating the charge. As a consequence, very few Si–Si bonds are noted with increasing concentrations of C atoms in a SiC alloy. Physical and chemical stability of doped clusters is studied by carrying out finite temperature behaviour and adsorbing O₂ molecule on Si₉C and Si₈C₂ clusters, respectively.     

Fabrication and characterization of n-ZnO on p-SiC heterojunction diodes on 4H-SiC substrates

We report on the growth and characterization of n-ZnO/p-4H-SiC heterojunction diodes. Our n-ZnO layers were grown with radical-source molecular beam epitaxy (RS-MBE) on p-4H-SiC epilayers, which was previously prepared in a horizontal hot-wall reactor by chemical vapour deposition (CVD) on the n-type 4H-SiC wafers. Details on the n-ZnO growth on 8-off 4H-SiC wafers, the quality of the layers and the nature of realized p–n structures are discussed. Mesa diode structures were fabricated. Al was sputtered through a circle mask with diameter 1 mm and annealed to form Ohmic contacts to p-SiC. Ohmic contacts to the n-ZnO were formed by 30 nm/300 nm Ti/Au sputtered by electron beam evaporation. Electrical properties of the structures obtained have been studied with Hall measurements, and current–voltage measurements (I–V). I–V measurements of the device showed good rectifying behavior, from which a turn-on voltage of about 2 V was obtained.     

Scanning probe microscopy investigations of the electrical properties of chemical vapor deposited graphene grown on a 6H-SiC substrate

Sublimated graphene grown on SiC is an attractive material for scientific investigations. Nevertheless the self limiting process on the Si face and its sensitivity to the surface quality of the SiC substrates may be unfavourable for later microelectronic processes. On the other hand, chemical vapor deposited (CVD) graphene does not posses such disadvantages, so further experimental investigation is needed. In this paper CVD grown graphene on 6H-SiC (0 0 0 1) substrate was investigated using scanning probe microscopy (SPM). Electrical properties of graphene were characterized with the use of: scanning tunnelling microscopy, conductive atomic force microscopy (C-AFM) with locally performed C-AFM current–voltage measurements and Kelvin probe force microscopy (KPFM). Based on the contact potential difference data from the KPFM measurements, the work function of graphene was estimated. We observed conductance variations not only on structural edges, existing surface corrugations or accidental bilayers, but also on a flat graphene surface.     

冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响

用分子动力学模拟方法研究了五种不同冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响。采用两种不同的方法来确定玻璃转变温度Tg,并且对结晶温度Tc、径向分布函数g(r)、均方位移函数MSD与扩散系数D、平均配位数进行比较分析。结果表明：冷却速率影响Lennard-Jones体系凝固过程中的结构。当使用足够高的冷却速率冷却时,体系发生玻璃化转变,而且冷却速率越快,玻璃转变温度越高;当冷却速率较小时,体系形成晶体,而且冷却速率越慢,结晶温度越高,结晶程度也越高。同时发现,冷却速率对扩散系数和平均配位数也有很大影响,二者在体系发生玻璃转变时都有一个缓变的过程,表明了过冷液相区的存在。     

Fast Analytical Temperature Rising Elution Fractionation (ATREF) Method

Conventional analytical temperature rising elution fractionation (ATREF) is performed using slowly crystallized polymers in about 16 h. In this work, we developed a fast ATREF method in which the polymer sample is directly injected on the column at room temperature, thus reducing the analysis time to about 1 h. The method was tested using four metallocene polyethylenes with unimodal short chain branching distributions and different densities, previously analyzed by ATREF using a cooling rate of 0.1°C/min. The obtained results demonstrate that the fast ATREF method is very effective and accurate in evaluating short chain branching distribution for polyolefins having unimodal distributions.     

In-Situ Synthesis and Characterization of Nanocomposites in the Si-Ti-N and Si-Ti-C Systems

The pyrolysis (1000 °C) of a liquid poly(vinylmethyl-co-methyl)silazane modified by tetrakis(dimethylamido)titanium in flowing ammonia, nitrogen and argon followed by the annealing (1000–1800 °C) of as-pyrolyzed ceramic powders have been investigated in detail. We first provide a comprehensive mechanistic study of the polymer-to-ceramic conversion based on TG experiments coupled with in-situ mass spectrometry and ex-situ solid-state NMR and FTIR spectroscopies of both the chemically modified polymer and the pyrolysis intermediates. The pyrolysis leads to X-ray amorphous materials with chemical bonding and ceramic yields controlled by the nature of the atmosphere. Then, the structural evolution of the amorphous network of ammonia-, nitrogen- and argon-treated ceramics has been studied above 1000 °C under nitrogen and argon by X-ray diffraction and electron microscopy. HRTEM images coupled with XRD confirm the formation of nanocomposites after annealing at 1400 °C. Their unique nanostructural feature appears to be the result of both the molecular origin of the materials and the nature of the atmosphere used during pyrolysis. Samples are composed of an amorphous Si-based ceramic matrix in which TiN_xC_y nanocrystals (x + y = 1) are homogeneously formed “in situ” in the matrix during the process and evolve toward fully crystallized compounds as TiN/Si₃N₄, TiN_xC_y (x + y = 1)/SiC and TiC/SiC nanocomposites after annealing to 1800 °C as a function of the atmosphere.     

40W/20K单级G-M制冷机设计与研究

目前商用G-M制冷机在20K时的制冷量一般小于10W,然而工业界对20K时具有更大制冷量的制冷机需求正在不断增长。文中对影响单级G-M制冷机制冷量的因素进行分析,提出相应的解决措施;并针对高温超导应用技术和一些低温系统工程项目的需求,设计了40W/20K单级G-M制冷机样机。     

大尺寸电阻加热式碳化硅晶体生长热场设计与优化

大尺寸低缺陷碳化硅(SiC)单晶体是功率器件和射频(RF)器件的重要基础材料,物理气相传输(physical vapor transport, PVT)法是目前生长大尺寸SiC单晶体的主要方法。获得大尺寸高品质晶体的核心是通过调节组分、温度、压力实现气相组分在晶体生长界面均匀定向结晶,同时尽可能减小晶体的热应力。本文对电阻加热式8英寸(1英寸=2.54 cm)碳化硅大尺寸晶体生长系统展开热场设计研究。首先建立描述碳化硅原料受热分解热质输运及其多孔结构演变、系统热输运的物理和数学模型,进而使用数值模拟方法研究加热器位置、加热器功率和辐射孔径对温度分布的影响及其规律,并优化热场结构。数值模拟结果显示,通过优化散热孔形状、保温棉的结构等设计参数,电阻加热式大尺寸晶体生长系统在晶锭厚度变化、多孔介质原料消耗的情况下均能达到较低的晶体横向温度梯度和较高的纵向温度梯度。     

旋转状态半受限冲射流流动和换热特性研究

利用数值模拟的方法,通过改变冲击雷诺数Rej(20000-35000)、旋转数Ro(0-0．0117)等参数,分析旋转条件下半受限单孔冲击射流的流动和换热特性,讨论了旋转对冲击射流的流场结构和换热特性的影响．研究结果表明:冲击射流在离心力和哥氏力的共同作用下发生弯曲,造成冲击靶面上的冲击斑随着旋转数Ro的增加而不断偏移,显著影响了冲击的冷却效果．冲击靶面的平均Nu数随着冲击雷诺数Rej的增加而增加;当旋转数Ro增加时,冲击靶面的平均Nu数先增加,后减小,然后再增加．计算结果和试验结论基本一致．     

光学频率标准与光钟的实现

综述了时间频率标准的发展过程.对构成光学频率标准的四个要素,即激光冷却、激光稳频、离子捕陷和光学频率梳进行了系统的介绍.详细描述了光钟的原理与系统构成,并对光学频率标准与光钟的应用前景进行了展望.