金属衬底上高质量大面积石墨烯的插层及其机制

石墨烯作为一种新型二维材料,因其优异的性质,在科学和应用领域具有非常重要的意义.而其超高的载流子迁移率、室温量子霍尔效应等,使其在信息器件领域备受关注.如何获得高质量并且与当代硅基工艺兼容的石墨烯功能器件,是未来将石墨烯应用于电子学领域的关键.近年来,研究人员发展了一种在外延石墨烯和金属衬底之间实现硅插层的技术,将金属表面外延石墨烯高质量、大面积的特点与当代硅基工艺结合起来,实现了无需转移且无损地将高质量石墨烯置于半导体之上.通过系统的实验研究并结合理论计算,揭示了插层过程包含四个主要阶段:诱导产生缺陷、异质原子插层、石墨烯自我修复和异质原子扩散成膜,并证实了这一插层机制的普适性.拉曼和角分辨光电子能谱实验结果表明,插层后的石墨烯恢复了本征特性,接近自由状态.此外,还实现了多种单质元素的插层.不同种类的原子形成不同的插层结构,从而构成了多种石墨烯/插层异质结.这为调控石墨烯的性质提供了实验基础,也展现了该插层技术的普适性.     

Formation of the intermediate semiconductor larger for the Ohmic contact to silicon carbide using Germanium implantation

By formation of an intermediate semiconductor layer (ISL) with a narrow band gap at the metallic contact/SiC interface, this paper realises a new method to fabricate the low-resistance Ohmic contacts for SiC. An array of transfer length method (TLM) test patterns is formed on N-wells created by P+ ion implantation into Si-faced p-type 4H-SiC epilayer. The ISL of nickel-metal Ohmic contacts to n-type 4H-SiC could be formed by using Germanium ion implantation into SiC. The specific contact resistance ρc as low as 4.23×10-5 Ω·cm2 is achieved after annealing in N2 at 800 ℃ for 3 min, which is much lower than that (> 900℃) in the typical SiC metallisation process. The sheet resistance Rsh of the implanted layers is 1.5 kΩ/□. The technique for converting photoresist into nanocrystalline graphite is used to protect the SiC surface in the annealing after Ge+ ion implantations.     

LPCVD法制备的高纯半绝缘4H-SiC晶体ESR谱特性

利用电子自旋共振波谱（ESR）仪，分析由低压化学气相沉积（LPCVD）法制备的高纯半绝缘4H-SiC材料本征缺陷.结果发现，在暗场条件下获得的缺陷信息具有碳空位（V_C）及其络合物的特征；谱线具有半高宽较大、峰谷明显不对称的特点.分析认为造成ESR谱线半高宽较大及峰谷不对称现象的主要原因是测试温度较高.同时，吸收谱中峰谷不对称现象及较大半高宽现象的出现还与不对称的晶格结构及缺陷浓度的不均匀分布有关.在110 K测试温度下，能级上的电子分布对ESR谱特性影响很小. 关键词： 低压化学气相沉积 高纯半绝缘4H-SiC 电子自旋共振 本征缺陷     

塞来昔布的密度泛函理论计算及光谱分析

塞来昔布(Celecoxib, CXB)是COX-2的高选择性抑制剂,经过20年的发展已经成为世界范围内使用最为广泛的一类处方药.本文基于密度泛函理论,使用B3LYP泛函,6-311++G(d, p)基组进行结构优化.在此工作上对该药物分子的结构、红外光谱、拉曼光谱、分子前线轨道、静电势和激发态性质做了一系列的研究.结果表明：CXB分子是一个稳定的非平面扭曲结构,此结构使得该药物分子在COX-2上的疏水通道中可以迅速通过,从而形成了一个可与苯磺酰胺片段结合的结合腔.对化合物进行频率计算,分别得到红外光谱和拉曼光谱,与实验采集的数据进行对比,呈现出较好的一致性.对分子的基态进行前线轨道和静电势的分析,磺酰胺基与COX-2易形成氢键作用.在CXB分子的激发态研究中发现,CXB分子的激发态性质主要由第1激发态、第3激发态和第6激发态共同决定.这为理解CXB的作用机理提供了重要的信息,也为后期扩展CXB衍生物提供了理论基础.     

Comparison of the formation epitaxial graphenes on Si- and process and properties of C-face 6H-SiC substrates

In this paper,the epitaxial graphene layers grown on Si-and C-face 6H-SiC substrates are investigated under a low pressure of 400 Pa at 1600 C.By using atomic force microscopy and Raman spectroscopy,we find that there are distinct differences in the formation and the properties between the epitaxial graphene layers grown on the Si-face and the C-face substrates,including the hydrogen etching process,the stacking type,and the number of layers.Hopefully,our results will be useful for improving the quality of the epitaxial graphene on SiC substrate.     

Demonstration of a 4H SiC Betavoltaic Nuclear Battery Based on Schottky Barrier Diode

A 4H SiC betavoltaic nuclear battery is demonstrated. A Schottky barrier diode is utilized for carrier separation. Under illumination of Ni-63 source with an apparent activity of 4mCi/cm^2, an open circuit voltage of 0.49 V and a short circuit current density of 29.44nA/cm^2 are measured. A power conversion efficiency of 1.2% is obtained. The performance of the device is limited by low shunt resistance, backscattering and attenuation of electron energy in air and Schottky electrode. It is expected to be significantly improved by optimizing the design and processing technology of the device.     

超高真空构筑新型二维材料及其异质结构

由于量子受限效应,二维材料表现出很多三维材料所不具备的优异电学、光学、热学以及力学性能,为研究人员所关注.材料的优异物性离不开高质量材料的制备,超高真空环境可以减少杂质分子的污染与影响,提高二维材料的质量与性能.本文介绍基于超高真空环境的新型二维原子晶体材料的原位制备方法,包括利用分子束外延构筑新型二维材料、利用石墨烯插层构筑新型二维原子晶体材料异质结构以及利用扫描探针原位操纵构筑二维材料异质结构三大类.文章回顾利用这三类方法构筑的二维材料及其物理化学性质,比较三种方法各自的优势与局限性,对未来二维材料制备提供一定的指引.     

纵向数据半参数回归模型的最小二乘局部线性估计

本文考虑纵向数据半参数回归模型:Yij=XiTjβ+g(Tij)+iεj,基于最小二乘法和局部线性拟合的方法建立了模型中参数分量β,回归函数g(.)和误差方差σ2的估计,在适当条件下给出了估计量的相合性,通过模拟研究说明了该方法在有限样本情况下具有良好的性质。     

Synthesis and Liquid Crystalline Properties of 3-Substituted Pentane-2,4-dione, Pyrazole and Isoxazole Derivatives

The γ-substituted β-diketonate 2,4-dioxo-3-pentyl 4-[4-（n-octyloxy）cinnamoyl]oxybenzoate 1 and its pyrazole and isoxazole derivatives （2 and 3 respectively） have been synthesized and characterized by the spectroscopic methods and elemental analysis. The mesogenic properties of these compounds have been studied by polarizing optical microscopy （POM） and differential scanning calorimetry （DSC）. A monotropic nematic mesophase was observed for the β-diketonate 1, in contrast, the pyrazole 2 displays an enantiotropic smectic A and isoxazole 3 exhibits an enantiotropic nematic mesophase. The relationship between the structure and liquid crystalline properties has also been discussed.     

Dopant diffusion and surface morphology of vanadium implanted 4H-silicon carbide

The diffusion behaviours of vanadium implanted p- and n-type 4H-SiC are investigated by using the secondary ion mass spectrometry （SIMS）. Significant redistribution, especially out-diffusion of vanadium towards the sample surface is not observed after 1650 ℃annealing for both p- and n-type samples. Atomic force microscopy （AFM） is applied to the characterization of surface morphology, indicating the formation of continuous long furrows running in one direction across the wafer surface after 1650 ℃ annealing. The surface roughness results from the evaporation and re-deposition of Si species on the surface during annealing. The chemical compositions of sample surface axe investigated using x-ray photoelectron spectroscopy （XPS）. The results of C ls and Si 2p core-level spectra axe presented in detail to demonstrate the evaporation of Si from the wafer and the deposition of SiO2 on the sample surface during annealing.