Electrical and optical characteristics of vanadium in 4H-SiC

A semi-insulating layer is obtained in n-type 4H-SiC by vanadium-ion implantation. A little higher resistivity is obtained by increasing the annealing temperature from 1450 to 1650℃. The resistivity at room temperature is as high as 7.6×10⁶\Omega .cm. Significant redistribution of vanadium is not observed even after 1650℃ annealing. Temperature-dependent resistivity and optical absorption of V-implanted samples are measured. The activation energy of vanadium acceptor level is observed to be at about E_C-1.1eV.     

AlGaN插入层对6H-SiC上金属有机物气相外延生长的GaN薄膜残余应力及表面形貌的影响

研究了具有不同台阶数目的AlGaN插入层对在6H-SiC衬底上利用金属有机物气相外延（MOVPE）生长的GaN体材料残余应力和表面形貌的影响.高分辨率X射线衍射测试表明样品的c轴晶格常数随台阶数目的增多而增大;低温光荧光谱中GaN发光峰也随着台阶数目增多而发生蓝移,这些变化都反映出GaN中残余张应力的减小.此外,原子力显微镜测试表明样品表面起伏和粗糙度也都随着插入层的引入和台阶数目的增多得到了明显的改善. 关键词： 残余应力 表面形貌 SiC衬底 AlGaN插入层     

光辐射吸收材料表面形貌与吸收率关系研究

光辐射吸收材料不同的表面形貌对入射光具有不同的多重反射吸收效果,对光辐射的吸收有较大的影响,合适的表面形貌可以提高光辐射有效吸收率.本文通过光线追迹的方法对V形表面、正弦表面、具有正态倾角(平均倾角)分布的表面以及具有正态高度分布的表面进行模拟, 分析了这四种表面对光辐射吸收率的提升效果及其入射角特性.通过倾角分布分析,得出不同表面形貌提升吸收率共同的必要条件,即倾角中心分布至少大于30°,并指出V形表面在正入射时对吸收率提升的优越性. 关键词： 光吸收材料 表面形貌 吸收率 表面倾角分布     

Mound morphology of the 2+1 -dimensional Wolf-Villain model caused by the step-edge diffusion effect

The mound morphology of the 2+1-dimensional Wolf-Villain model is studied by numerical simulation. The diffusion rule of this model has an intrinsic mechanism, i.e., the step-edge diffusion, to create a local uphill particle current, which leads to the formation of the mound. In the simulation, a noise reduction technique is employed to enhance the local uphill particle current. Our results for the dynamic exponent 1/z and the roughness exponent α obtained from the surface width show a dependence on the strength of the step-edge diffusion. On the other hand, λ(t), which describes the separation of the mounds, grows as a function of time in a power-law form in the regime where the coalescence of mounds occurs, λ(t)∼tⁿ, with n≈0.23-0.25 for a wide range of the deposition conditions under the step-edge diffusion effect. For m=1, a noise reduction factor of unity, the behavior of λ(t) in the saturated regime is also simulated. We find that the evolution behavior of λ(t) in the whole process can be described by the standard Family-Vicsek scaling.     

异质原子在Cu（001）表面扩散的分子动力学模拟

采用分子动力学方法模拟单个增原子Ag,Pd和Cu在Cu（001）表面上的扩散过程.通过对自扩散和异质扩散过程中扩散机制的观察,统计三种不同的增原子在不同温度下的扩散频率,拟合给出扩散势垒和扩散频率的指前因子,并与扩散势垒的静力学计算结果进行比较.结果表明：在800 K以下时,三种增原子均以简单跳跃机制为主扩散,与衬底不互溶的Ag增原子的跳跃频率最大,与衬底互溶的Pd增原子的跳跃频率最小.同质增原子与异质增原子的扩散频率和温度的关系均较好地符合Arrhenius公式,由Arrhenius公式拟合给出的三种不同增原子的扩散势垒与表面结构和增原子表面结合能有关.Pd和Cu增原子从跳跃机制为主向交换机制为主的转换温度分别在825和937 K左右. 关键词： 表面扩散 分子动力学模拟     

On the theory of surface diffusion: kinetic versus lattice gas approach

The present paper extends the results of a recent analytic kinetic theory of particle-on-substrate diffusion. The approach treats explicitly the molecule–surface interaction and takes into account inter-molecular interaction within the hard particle approximation. The physics influencing the diffusion pre-exponential factor and mechanisms determining the density dependence of collective diffusivity are discussed. The kinetic results are compared with those of the traditional lattice gas hopping models. Analytical expressions for jump rates in the low density limit are derived, and the density dependence of effective jump rates at finite occupancy is discussed. It is shown how the traditional hopping model oversimplifies the picture of diffusion by neglecting the collision part of the hopping process.     

飞秒激光改性6H-碳化硅晶体表面光电导增益现象研究

半绝缘6H型碳化硅(6H-SiC)具有高电阻率性质,在可见光照射下进行光电导测量时,通常光生电流很小;然而经过飞秒激光辐照改性之后,发现在可见光波段的光电导有明显的增益.本文利用紫外-可见-近红外吸收谱、X射线光电子能谱和发光光谱测量分析了激光改性之后碳化硅样品的光谱吸收、发射和晶体元素比例变化情况.分析认为碳化硅光电导增益的原因是飞秒激光辐照过程改变了碳化硅表面的硅碳元素的原子浓度比,形成新的物质结构形式,从而导致了表面光电导性能的提高.     

Dopant control over the crystal morphology of ceramic materials

Doping is a common way to activate the behavior of ceramics. Its effect is not limited to the bulk: segregation of dopants to the surfaces also yields a way to modify, and ultimately control the crystal morphology. We propose a model that allows us to calculate the surface energy beyond the Langmuir isotherm for doped and defective surfaces from atomic-level simulations. The model also allows us to account for different compositions between the bulk and surface. Computational materials design can thus be applied to optimize simultaneously the crystal behavior at the atomic (surface structure and composition) and mesoscopic (crystal size and shape) length scales. We exemplify the model with orthorhombic CaTiO₃ perovskite doped with Mg²⁺, Fe²⁺, Ni²⁺, Sr²⁺, Ba²⁺ and Cd²⁺ ions, by predicting the effect that different dopants and dopant concentrations have on the crystal morphology. We find that a higher proportion of reactive {0 2 1} and {1 1 1} surfaces are exposed with the presence of divalent Mg²⁺, Fe²⁺ and Ni²⁺ ions than in the undoped material and in perovskite doped with Ba²⁺ and Sr²⁺. Cd²⁺ has only minor effects on crystal morphologies. These findings have important implications for predicting the reactivity of crystals doped with different ions and we show how this can be related to a simple parameter such as the ionic radius. We have tested our newly derived model by comparison with laboratory flux grown single crystals of CaTiO₃, (Ni, Ca)TiO₃ and (Ba, Ca)TiO₃ and find excellent agreement between theory and experiment.     

表面形貌对GaAs生长速率测量的影响

本文利用Reflection High Energy Electron Diffraction (RHEED)强度振荡测量GaAs同质外延生长,发现其生长速率随生长厚度按一定指数函数关系衰减.这种衰减与GaAs表面形貌的变化密切相关,表面台阶数量的增加使层状生长模式由2D成核模式逐渐转变为台阶流模式.由于RHEED强度振荡所测的生长速率与表面的粗糙程度密切相关,表面情况改变对生长速率会有一定的影响,导致测量的生长速率逐渐的衰减.根据生长速率随生长厚度的增加而衰减的拟合曲线,可以获得一个准确的生长速率.     

反应烧结碳化硅平面反射镜的光学加工

介绍了100mm口径反应烧结碳化硅平面反射镜的光学加工工艺流程。按照流程依次介绍了在粗磨成形、细磨抛光和精磨抛光过程中使用的机床、磨具和磨料以及采用的工艺参数和检测方法。介绍了在光学加工各个步骤中应注意的问题。展示了加工后反应烧结碳化硅平面反射镜的实物照片。给出了面形精度和表面粗糙度的检测结果:面形精度(95%孔径)均方根值(RMS)为0.030λ(λ=632.8nm),表面粗糙度RMS值达到了1.14nm(测量区域大小为603 6μmⅹ448 4μm)。     

热丝加热电流对CH薄膜沉积速率和表面形貌的影响

热丝辅助裂解法是结合气相沉积制备聚对二甲苯薄膜和热丝化学气相沉积而形成的一种制-CH薄膜的新方法。热丝辅助裂解法的最大特点就是在保持低衬底温度情况下可以获得高沉积速率,而热丝加热电流对薄膜沉积速率和薄膜表面形貌具有重要影响。研究表明,热丝加热电流越大,薄膜沉积速率越高,在加热电流9A时,薄膜沉积速率可达0.002mm/min,同时薄膜表面粗糙度随之增加,薄膜表面也开始出现其它元素污染,因此,一般热丝加热电流选择为7A附近。     

Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters(hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster,vacancy formation, filling, and shifting can be observed from the results.     

分子动力学模拟Gd原子在Cu(110)表面的扩散过程

为了分析Gd吸附原子在Cu(110)表面的扩散机理，用分子动力学对该扩散过程进行模拟.模拟 结果表明在［1 1 0］方向Gd原子通过跳跃机理扩散，而且多步跳跃频率很高.而在［0 0 1］方向则通过交换机理扩散.吸附原子在［1 1 0］方向的扩散能力要比［0 0 1］ 方向强.通过对扩散频率的拟合，发现两种扩散机理都符合Arrhenius公式，从而确定了跳跃 机理的扩散势垒为0.097eV，交换机理的扩散势垒为0.33eV.另外还用能量弛豫的方法确定了 跳跃机理的扩散势垒. 关键词： 分子动力学 表面扩散 跳跃机理 交换机理 扩散势垒     

氘化及氦离子注入对钪膜的表面形貌和相结构的影响

采用XRD, SEM, AFM等详细研究了氘化及氦离子注入对钪膜的表面形貌和相结构的影响. 结果表明,在单晶硅及抛光Mo基片上制备的钪膜均具有(002)晶面择优取向;钪膜氘化后表面会出现大量孔洞, 氘化后氘化钪(ScD₂)晶粒长大,但内部会残留少量未完全氘化反应的晶粒尺寸较小的 ScD_0.33/Sc晶粒;氦离子注入对钪及氘化钪的表面形貌没有明显影响, 离子注入的氦将在钪及氘化钪晶格中聚集成泡,导致氦离子注入层中的钪及氘化钪衍射峰向低角度偏移, 并且氦泡的聚集具有择优取向性.     

射频溅射法制备3C-SiC和4H-SiC薄膜

利用射频溅射法在Si衬底上制备了SiC薄膜，并利用x射线衍射（XRD）和红外（IR）吸收谱对薄膜的结构、成分及化学键合状态进行了分析.XRD结果表明，低温制备的SiC薄膜为非晶相，而在高温下（＞800℃），薄膜呈现4HSiC和3CSiC结晶相.IR谱显示，溅射制备薄膜的吸收特性主要为Si—C键的吸收.此外，还利用原子力显微镜对薄膜的表面形貌进行了研究，并研究了样品的场发射特性. 关键词： 射频溅射 SiC薄膜 结构 表面形貌 场发射     

强脉冲电子束辐照材料表面形貌演化的模拟

在回顾和总结强脉冲电子束表面改性实验的基础上, 利用有限元数值计算方法对强脉冲电子束辐照铝和304不锈钢产生的温度场进行模拟, 给出了靶的近表面区域流体状态存在的特征尺度和特征时间, 并对不同材料特性下熔坑的产生原因进行了讨论. 采用两相流模型, 通过水平集方法和有限元方法结合的计算流体力学模拟了熔坑和表面突起形貌在表面处于熔融状态下的运动特征, 通过和实验数据相对比, 验证了对于高黏度, 高表面张力的高熔点金属, 表面处于流体状态下的张力驱动效应是熔坑等表面形貌演化的重要原因.     

First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO

A detailed first-principles study of the diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO was performed. The O vacancy and interstitial are found to diffuse much more easily in surface than in bulk. The Zn vacancy has a similar migration barrier for both bulk and surface, but has much smaller barrier for the diffuse-in process. The Zn interstitial is difficult to diffuse in the surface directly, but it can diffuse into the bulk relatively easily. Specific values of corresponding migration barriers are obtained.     

Band gap states of V and Cr in 6H-silicon carbide

Ti, V and Cr in n-type 6H-SiC were investigated by radiotracer deep level transient spectroscopy (DLTS). Doping with the radioactive isotopes ⁴⁸V and ⁵¹Cr was done by recoil implantation followed by annealing (1600 K). Repeated DLTS measurements during the elemental transmutation of these isotopes to ⁴⁸Ti and ⁵¹V respectively revealed the corresponding concentration changes of band gap states. Thus, three levels were identified in the band gap: a Cr level at 0.54 eV and two V levels at 0.71 and 0.75 eV below the conduction band edge. There are no deep levels of Ti in the upper part of the band gap. Received: 28 April 1997/Accepted: 16 May 1997     

研究单原子分子表面扩散运动的时域隧穿电流谱方法

以单个Cu原子在Si(111)(7×7)层错半单元(FHUC)内的随机扩散运动研究为例,演示了一种新的可以测量快速扩散运动的扫描隧道显微镜方法──时域隧穿电流谱方法.运用这种方法可定量地检测纳米局域区间内单原子分子的表面扩散运动,跳跃频率的测量范围达到1—104Hz,比过去已有的用扫描隧道显微镜研究表面扩散的方法提高三个量级.这种方法将会使人们在原子尺度下对快速扩散运动比如氢原子的量子扩散运动获得更进一步的理解.     

Initial growth of intrinsic microcrystalline silicon thin film: Dependence on pre-hydrogen glow discharge and substrate surface morphology

We found the decreases of amorphous incubation volume from Raman spectra and surface roughness from AFM in hydrogenated microcrystalline silicon (μc-Si:H) films deposited with a pre-hydrogen glow discharge. The above phenomena are attributed to the increase in the nuclei density as observed by AFM measurements. Substrate surface morphology of eagle2000 glass modified by wet etching also has a positive effect on the nucleation and crystalline formation. In addition, μc-Si:H doped layer is also beneficial for decreasing the amorphous incubation layer thickness because of surface roughness and crystallinity in the μc-Si:H doped layer.