3C-SiC薄膜小角晶界附近位错核心的原子组态研究

用LaB₆灯丝200 kV高分辨透射电镜拍摄了有小角晶界的3C-SiC/(001)Si 薄膜的[110]高分辨电子显微像. 用像解卷技术把本不直接反映晶体结构的实验像转化为结构像. 首先, 从完整区的结构像中分辨开间距仅为0.109 nm的Si和C原子柱; 随后按赝弱相位物体近似像衬理论, 分析像衬随晶体厚度的变化规律, 辨认出Si和C原子; 进而在原子水平上得出小角晶界附近两个复合位错的核心结构, 构建了结构模型并计算了模拟像. 实验像与模拟像的一致程度验证了结构模型的正确性. 于是, 在已知完整晶体结构的前提下, 仅从一帧实验高分辨像出发, 推演出原子的种类和位错核心的原子组态. 还讨论了3C-SiC 小角晶界的形成与晶界附近出现复合位错的关系.     

直接法应用于蛋白质二维晶体的电子晶体学图像处理

试把直接法应用于抗生蛋白链菌素(streptavidin)沿［001］方向投影的模拟像和相应的理论结构因子作图像处理.先用两张高分辨电子显微像作直接法解卷,以互补因衬度传递函数的作用而损失的结构信息,求得的欠焦值比用单张像解卷的结果更接近真实值.把从结构模型计算出的030nm以内的相位,以及025nm以内的振幅作为起始数据,进行直接法相位外 推,并借助团簇分析方法得到030nm至025nm之间的相位.所得分辨率为030nm的解卷像 和分辨率为025nm的晶体结构投影均与理论结构模型的相应投影电 关键词： 高分辨电子显微学 直接法 图像处理     

测定微小晶体结构的电子晶体学图像处理技术

介绍了2005年国家自然科学奖二等奖获奖项目“微小晶体结构测定的电子晶体学研究”，研究目的是建立一种借助高分辨电子显微像测定晶体结构的新方法．为此提出了高分辨电子显微学与衍射晶体学相结合的思想，在实现此思想的过程中，研究了像衬的规律，得出实用的像衬公式和理论，阐明了不同种类原子像衬与晶体厚度的关系，而且用理论指导实验，观察到晶体中锂原子的像衬，以此理论为依据，把衍射晶体学中的多种分析方法特包是直接法引入到高分辨电子显微学中，建立了一套全新的电子晶体学图像处理技术，开发了相应的可视化专用软件包，并应用于测定多个未知晶体结构．文中逐一介绍了研究工作全过程的关键问题和研究结果。     

分子束外延生长GaN薄膜中的一种早期位错结构

利用高分辨电子显微术，对在GaP基体上由分子束外延生长六角GaN晶体薄膜中的晶体缺陷结构进行了研究．实验中发现了GaN薄膜外延生长过程中产生的一种典型早期刃型位错结构．此晶体缺陷位于一大块GaN晶粒内部，其外观类似于一段（1120）晶界．它由一条（1120）高能孤立晶界段及其两端的两个1/6［1120］不完全刃型位错组成．从大晶格失配材料之间分子束外延生长的机理上对这种缺陷结构的形成进行了解释． 关键词：     

侧向外延生长六方相GaN中堆垛层错的同步辐射表征

本文采用低温光致发光谱研究了蓝宝石(0001)衬底上MOCVD侧向外延生长的六方相GaN中的堆垛层错, 并使用同步辐射XRD方法研究了该堆垛层错以及立方相和六方相GaN的相对取向.     

用高分辨电子显微像测定晶体结构的图像处理方法

本文简要地介绍了一种测定晶体结构的新方法．此法立足于一幅高分辨电子显微像及相应的电子衍射花样．它实际上是一种借助于衍射分析技术的图像处理方法，共分二步：像的解卷和提高像的分辨率．第一步是把一幅在任意离焦条件下拍摄的像转换成结构像；第二步是用相位外推技术提高像的分辨率．最终结构像的分辨率将超出电子显微镜分辨本领的限制．     

高T_c超导材料的结构象

自从发现了高Tc超导氧化物以来,人们纷纷用各种方法研究它们的晶体结构.七十年代发展起来的高分辨电子显微术,给人们提供了直接观察晶体结构的手段.图1是超导转变温度为90K的Y-Ba-Cu-O化合物的高分辨电子显微象,是我们用JEM-200C X高分辨电子显微镜拍摄的.电子加速电压为200kV.Y-Ba-Cu-O化合物属正交晶系,晶胞参数a=0.389um,b=0.382nm,c=1.166nm.晶体沿c方向的周期均为a方向的三倍,具有类钙钛矿型超结构.图2给出了该晶体的结构模型. 图1所示的高分辨电子显微象是用楔状晶体拍摄的.图1的上端对应于楔状晶体的薄区,晶体厚度约为几个nm,…     

准晶体的原子间向量函数

急冷Al-Mn,Al-Fe,Al-Cr和Ni-Ti-V合金中准晶体的发现[1-3]向我们提出了发展准晶体结构分析技术的研究课题.目前准晶体颗粒只有微米量级,高分辨电子显微术应是一种有前景的准晶体结构分析手段.可是,高分辨电子显微象的分辨率有限,难以从象上分辨开准晶体中的单个原子.而从分辨率     

答《现代物理知识》杂志记者问

 1 您是哪年荣获哪项物理学奖?答:1991年获中国物理学会第二届叶企孙奖.2 您获奖项目的主要内容是什么?它对物理学的发展有什么积极作用?答:提出了一种新的高分辨电子显微像图像处理方法,用此法可以把一幅不反映晶体结构的像转换为反映结构的像,并大幅度地提高像的分辨率.这拓宽了高分辨电子显微学和电子衍射的应用领域,为新材料提供了一种新的结构分析方法.     

位错和层错对氮化镓热导率影响的分子动力学模拟

本文利用非平衡分子动力学方法研究了位错和堆垛层错对氮化镓晶体热导率的影响。研究结果表明氮化镓中刃型位错的存在不仅对垂直位错线方向的热量传输有影响,也对平行于位错线方向有较大影响。本文利用非平衡分子动力学方法对氮化镓晶体中小角度晶界、晶界c面(0001)堆垛层错以及a面(1210)面堆垛层错结构的界面热阻进行了计算,并且研究了氮化镓晶体中c面堆垛层错的界面热阻的变化规律。研究结果表明氮化镓晶体中c面堆垛层错的界面热阻随着层错厚度的增加而增大,随着体系长度的增大而减小。     

Atomic and electronic structure of mixed and partial dislocations in GaN

Here we present a detailed study of mixed dislocations in GaN, in which the complexities of the atomic arrangement in the cores have been imaged directly for the first time using an aberration corrected scanning transmission electron microscope. In addition to being present as a full-core structure, the mixed dislocation is observed to dissociate into partial dislocations separated by a stacking fault only a few unit cells in length. The generation of this stacking fault appears to be impurity driven and its presence is consistent with theoretical predictions for dislocation dissociation in materials with hexagonal crystal symmetry.     

AlSb/GaAs(001)失配位错的高分辨电子显微学研究

用200kV六硼化镧光源的高分辨透射电子显微镜观察了AlSb/GaAs(001)外延薄膜的失配位错,结合解卷处理方法把[110]高分辨电子显微像转换为试样的结构投影图,其分辨率接近电子显微镜的信息极限.根据赝弱相位物体近似像衬理论,通过分析AlSb薄膜完整区解卷像的衬度随试样厚度的变化,确定了哑铃原子对中Al和Sb原子的位置.在此基础上构建出失配位错的结构模型,再结合模拟像与实验像的匹配,确定了AlAs型界面以及Lomer和60°两类失配全位错的核心结构.     

Deformation induced microtwins and stacking faults in aluminum single crystal

Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.     

蓝宝石表面处理对氮化镓薄膜的影响

采用化学方法腐蚀c-面蓝宝石衬底,以形成一定的图案;利用LP-MOCVD在经过不同腐蚀时间的蓝宝石衬底上外延生长GaN薄膜。采用高分辨率双晶X射线衍射（DCXRD）、三维视频光学显微镜（OM）、扫描电子显微镜（SEM）和原子力显微镜（AFM）进行分析。结果表明,对蓝宝石衬底腐蚀50min情况下,外延生长的GaN薄膜晶体质量最优,其（0002）面上的XRD 半峰全宽为202.68arcsec,（10-12）面上的XRD 半峰全宽为300.24arcsec;其均方根粗糙度（RMS）为0.184nm。     

一种外延生长高质量GaN薄膜的新方法

采用化学方法腐蚀c-面蓝宝石衬底，以形成一定的图案；利用LP-MOCVD在经过表面处理的蓝宝石衬底上以及常规c-面蓝宝石衬底上外延生长GaN薄膜.采用高分辨率双晶X射线衍射(DCXRD)、三维视频光学显微镜(OM)、扫描电子显微镜(SEM)和原子力显微镜(AFM)进行分析，结果表明，在经过表面处理形成一定图案的蓝宝石衬底上外延生长的GaN薄膜明显优于在常规蓝宝石衬底上外延生长的GaN薄膜，其(0002)面上的XRD FWHM为208.80弧秒，(1012)面上的为320.76弧秒.同时，此方法也克服了传统 关键词： 表面处理 MOCVD 横向外延生长 GaN薄膜     

Impact of dynamical scattering on quantitative contrast for aberration-corrected transmission electron microscope images

Aberration-corrected transmission electron microscope images taken under optimum-defocus conditions or processed offline can correctly reflect the projected crystal structure with atomic resolution. However, dynamical scattering, which will seriously influence image contrast, is still unavoidable. Here, the multislice image simulation approach was used to quantify the impact of dynamical scattering on the contrast of aberration-corrected images for a 3C-SiC specimen with changes in atomic occupancy and thickness. Optimum-defocus images with different spherical aberration (C_S) coefficients, and structure images restored by deconvolution processing, were studied. The results show that atomic-column positions and the atomic occupancy for SiC ‘dumbbells’ can be determined by analysis of image contrast profiles only below a certain thickness limit. This limit is larger for optimum-defocus and restored structure images with negative C_S coefficient than those with positive C_S coefficient. The image contrast of C (or Si) atomic columns with specific atomic occupancy changes differently with increasing crystal thickness. Furthermore, contrast peaks for C atomic columns overlapping with neighboring peaks of Si atomic columns with varied Si atomic occupancy, which is enhanced with increasing crystal thickness, can be neglected in restored structure images, but the effect is substantial in optimum-defocus images.     

Study of superstructure II in multiferroic BiMnO3

The crystal structure of the minor phase, named superstructure II, existing in multiferroic compound BiMnO3 has been studied by electron diffraction and high-resolution transmission electron microscopy. Domains of major and minor phases coexisting in BiMnO3 were observed in high-resolution electron microscope images. The unit cell of minor phase was determined to be triclinic with the size 4×4×4 times as large as the distorted perovskite subcell. The [111] and [101] projected structure maps of the minor phase have been derived from the corresponding images by means of the image processing. A possible rough three-dimensional （3D） structure model was proposed based on the 3D structural information extracted from the two projected structure maps. Since there is no inversion centre in the proposed model, the minor phase may contribute to the ferroelectric property of BiMnO3.     

Optical properties of nanostructures in layered metal tri-iodide crystals

The optical response of excitons confined in characteristic nanostructures in layered metal tri-iodide crystals introduced by some irregular stackings from the bulk structures is reviewed. In BiI₃ a specific stacking fault takes place during crystal growth constructing macroscopic planar defects. In this space conspicuous localized exciton transitions occur below the intrinsic absorption edge. Another stacking disorder introduced by applying external stress in this crystal brings about a new nanostructure domain of symmetry D_3d different from that of bulk symmetry C²_3i. The optical transitions due to new structures appear in the lower energy region as an absorption and luminescence line series. The similar nanostructures are induced in SbI₃ crystals under the hydrostatic pressure. In these nanostructures, the electronic structure is analyzed by a model based on the confined excitons in a nanoscale disk-like shape space. The magnetic field effect confirms the structure in the wave function-size scale. The nanoscale disk-like structure of BiI₃ in CdI₂ matrices is also obtained by a hot wall technique and mixed crystal annealing, which is realized by observing the size distribution with an electron microscope. In a BiI₃ disk in CdI₂ Stokes shifted photoluminescence bands appear. The Stokes shifts of the luminescence bands are understood by considering the size-dependent exciton-phonon interaction. In these nanostructures large optical nonlinearity under the intense laser field was obtained.     

Atomic resolution imaging of oxygen atoms close to heavy atoms by HRTEM and ED,using the superconductor SmFeAsO0.85F0.15 as an example

Imaging of light atoms has always been a challenge in high-resolution electron microscopy. Image resolution is mainly limited by lens aberrations, especially the spherical aberration of the objective lens. Image deconvolution could correct for the image distortion by lens aberrations and restore the structure projection, the resolution of which is limited by the information limit of the microscope. Electron diffraction unrestricted by lens aberrations could overcome this resolution limit. Here we show a combination of electron diffraction and image deconvolution to reveal simultaneously the atomic columns of O and considerably heavier Sm at a very close distance (1.17 Å) in iron-based superconductor SmFeAsO_0.85F_0.15 using a conventional 200 kV electron microscope. The approach used here, starting from an image and an electron diffraction pattern, has an advantage for those radiation-sensitive samples. Besides, it can be applied to simultaneously imaging light and heavy atoms, even though they have a big difference in atomic number and a much smaller atomic distance than the microscope resolution.