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一、晶体及薄膜材料187 铁电铌酸铅PbNb_2O_6晶体的研究——(Ingle S.G.)《Pramana》114 435-40 1978用光学法、干涉法和腐蚀法研究了PbNb_2O_6的(001)面,晶体主要是层状生长的,用干涉法可将层界和畴线分开,在90°畴壁及层界附近发现了热腐蚀坑,它们发生在位错座上,在居里温度和畴的形成过程中位错并无运动.     

弛豫铁电陶瓷PST中反相畴结构的HREM研究

本工作用高分辨电子显微学方法研究了弛豫铁电陶瓷Ｐｂ（Ｓｃ０．５Ｔａ０．５）Ｏ３（ＰＳＴ）中的有序－无序结构，直接观察到有序－无序结构畴界及反相畴界（ＡＰＢｓ），对反相畴界的结构进行了分析，指出在ＰＳＴ中的反相畴往往是（１１１）面的层错，晶格位移在（１１１）方向上，位移量是１／２（１１１）。提出了在ＰＳＴ中ＡＰＢｓ形成的机制。     

庞磁电阻La0.8Sr0.2MnO3薄膜的微结构研究

利用激光分子束外延方法在(001)SrTiO3衬底上制备庞磁电阻La0.8Sr0.2MnO3薄膜.发现高密度、尺度均匀的纳米聚集物弥散地分布在La0.8Sr0.2MnO3薄膜中.Z衬度像、EDS及电子衍射综合分析表明,这些纳米聚集物的内部成分出现起伏,主要特征是富Mn贫La,Mn/La的比值在其核心处达到极大值,形成立方结构的第二相MnO.LSMO薄膜由两种正交结构的取向畴组成.MnO与畴1的取向关系为[101]LSMO,1//[100]MnO和(010)LSMO,1//(010)MnO;与畴2的关系为[101]LSMO,2//[100]MnO和(010)LSMO,2//(001)MnO.在LSMO/STO外延体系中,还观察到大量的失配位错.失配位错的类型分为刃型失配位错,位错线沿<100>方向;螺型失配位错,位错线沿<110>方向.刃型位错是基中原有位错在薄膜生长过程中沿生长表面的扩展造成的;螺型失配位错的形成与降温过程中LSMO正交结构的取向畴的形成有关.     

金属间化合物Ni3Al中超点阵位错的原位加热观察

利用透射电子显微镜弱束成像技术对金属间化合物Ｎｉ＿３Ａｌ单晶中的超点阵位错进行原位动态观察。结果发现，在（００１）面上分解的位错，其分解宽度在室温至７７３Ｋ之间没有明显变化，在７７３Ｋ恒温３０分钟后两分解位错之间出现连结点，在８９８Ｋ恒温２０分钟后两分解位错完全束集。说明（００１）面上反相畴界的能量随着温度升高而增加。本文讨论了这一现象对材料力学性能的影响。     

定域再结晶SOI的透射电镜研究

高频感应石墨条加热快速区熔再结晶工艺制备的无籽晶热沉积结构（Ｈｅａｔ－ＳｉｎｋＳｔｒｕｃ－ｔｕｒｅ）ＳＯＩ（ＳｉｌｉｃｏｎｏｎＩｎｓｕｌａｔｏｒ）硅薄膜具有［１００］取向，其缺陷被限制在厚ＳｉＯ２层上的硅膜中，使薄的ＳｉＯ２层上的硅膜成为无缺陷单晶区，宽度可达５０μｍ以上，在缺陷聚集区观察到的缺陷主要是小角度晶界，绝大多数晶界的取向差都在３°之内．其类型多为混合型晶界，也观察到少量的扭转型和倾斜型晶界．缺陷聚集区中的位错或位错网络的走向是各种各样的，但其位错的柏氏矢量．     

用CBED对Al中小角度晶界亚晶界的研究

会聚束电子衍射(CBED)对晶体缺陷的研究分析方法尚处在尝试阶段。本文应用CBED对纯Al中的小角度晶界、亚晶界进行了定量研究。旨在介绍应用该技术对晶界两侧晶体的取向差精确测定的一种新方法。定量计算结果:小角度晶界的取向差为1.55°± 0.051°,亚晶界的取向差为0.32°±0.037°。并且对由位错引起的错向角进     

钙钛矿型外延薄膜中两种分解失配位错的HRTEM研究

在（001）LaAlO3上生长钙钛矿型Ba0.3Sr0.7TiO3外延薄膜近界面层,用HRTEM观察到多种新型的分解失配位错,其中两种较复杂的分解失配位错已见报道。本文介绍在该薄膜中观察到的另外两种有趣的分解失配位错。这两种失配位错都分解成两个柏格斯矢量b=（1／2）（110）的不全位错,都与（1／2）（110）层错相伴。这些不全位错对薄膜应变松弛都有贡献,其发生与Ba0.3Sr0.7TiO3薄膜的岛状成核和莫扎克生长有关。     

PbTiO_3/SrTiO_3(001)复杂畴组态和缺陷的研究北大核心CSCD

用透射电子显微镜对PbTiO_3/SrTiO_3(001)薄膜内部所形成的复杂畴组态以及畴壁处的位错进行了系统的研究。透射电镜结果和几何相位分析(GPA)表明,薄膜内部两个交叉的a畴内部出现了180°畴壁,导致在局部区域形成了全闭合畴结构,在铁电畴壁处观察到高密度位错。高分辨HAADF-STEM像分析显示,在90°畴壁处容易形成a<011>型位错,在180°畴壁处容易形成a<100>型位错,表明位错的形成与铁电畴壁类型存在强耦合关系。     

在(001)SrRuO_3/(001)SrTiO_3上外延生长c轴取向Bi_(3.15)Nd_(0.85)Ti_3O_(12)铁电薄膜的显微结构研究

用脉冲激光沉积在(001)SrRuO3,(001)SrTiO3上外延生长了c轴取向的Bi3.15Nd0.85Ti3O12(BNdT)铁电薄膜.SrRuO3底电极层厚约117 nm,BNdT薄膜厚～35nm.X射线衍射(XRD)和透射电镜(TEM)观察证实了SrRuO3层和BNdT薄膜的外延生长.通过TEM平面样品观察,在SrRuO3/BNdT界面附近看到了两种村度处于不同高度的失配位错网,位错线沿<110>走向,其柏格斯矢量沿[110]或[110]方向有分量,在[001]方向上可能没有分量.讨论了位错的形成机制.     

钙钛矿外延薄膜中一种新型分裂失配位错的HRTEM研究

在钙钛矿型氧化物外延薄膜中 ,人们已观察到柏格斯矢量b =[10 0 ]的刃型失配位错 ,伴随 (0 0 1)层错b =(1 2 )〈10 1〉的不全失配位错。最近 ,我们用TEM研究了生长在 (0 0 1)LaAlO3 上Ba0 3 Sr0 7TiO3(BSTO)外延薄膜中的缺陷结构。在薄膜的近界面层观察到了高密度的穿透位错 ,其中大部分穿透位错是与 (1 2 )〈10 1〉层错相伴的不全位错[1,2 ] 。本文介绍在该薄膜中观察到的一种新型的分裂失配位错 ,如图 1所示。靠近BSTO LaAlO3 界面有四个被标为 1 4的不全位错和一被标为 5的螺位错。不全位错 2和 3间夹层错的位移矢量是 (1 2 )…     

A study of the evolution process of antiphase boundaries in GaAs on Si

A study by high resolution electron microscopy and conventional transmission electron microscopy of the process of closure of antiphase boundaries (APB) in atomic layer molecular beam epitaxy (ALMBE) grown GaAs on silicon is reported. A parallelepipedical shape, closed at the top by another boundary with a semispheric shape, is proposed for the during growth suppressed APBs in GaAs epilayers. Antiphase boundaries are mostly located in {100} plans. Sixty degree dislocations are involved in the process of bending of APBs from {110} to {11n} planes; this bending is the initial step which must take place to get a single domain by interaction of two APBs. The proposed shape for closed APBs is in good agreement with the quasi two-dimensional growth observed for GaAs grown on silicon by ALMBE.     

Structure of [110] tilt grain boundaries in zirconia bicrystals

Cubic stabilized zirconia bicrystals with [110] symmetric tilt grain boundaries were fabricated by diffusion bonding of two single crystals with the composition of ZrO2-9.6mol%Y2O3. The structures of symmetric tilt small angle grain boundary and two types of symmetric tilt sigma3 grain boundaries with different grain boundary planes were observed by transmission electron microscopy (TEM). High-resolution transmission electron microscopy (HREM) observations clarified that the [110] small angle tilt grain boundary consists of periodic array of b = a/2[110] type edge dislocations. This result is consistent with Frank's dislocation model for small angle grain boundary. HREM observation also revealed that the 70.5 degrees sigma3 grain boundary shows atomically coherent grain boundary structure with the boundary plane of [111], while the 109.5 degrees sigma3 grain boundary accompanies grain boundary facets taking [111]/[115] asymmetric grain boundary plane. Because of the very low surface energy of [111] plane and/or high lattice matching of [111] and [115] type planes, the grain boundary faceting may be preferred in spite of increasing grain boundary area to about 6%. TEM-energy-dispersive X-ray spectroscopy (EDS) analyses were performed on both sigma3 grain boundaries, and the segregation of yttrium ions to the boundaries was detected in both cases. The amount of segregation is about the same in both sigma3 boundaries. It can be concluded that the segregation of yttrium ions to sigma3 grain boundary exists in cubic zirconia.     

Grain growth simulation of [001] textured YBCO films grown on (001) substrates with large lattice misfit: Prediction of misorientations of the remaining boundaries

We study the effects of (1) the variation of grain boundary energy with misorientation and (2) the large lattice misfit (>3%) between the films and substrates on grain growth in films by method of Monte Carlo simulations. The results from the grain growth simulation in YBa₂Cu₃O_7-x (YBCO) films was found to concur with previous experimental observation of preferred grain orientations for YBCO films deposited on various substrates such as (001) magnesium oxide (MgO) and (001) yttria stabilized zirconia (YSZ). The simulation has helped us to identify three factors influencing the competition of these [001] tilt boundaries. They are: (1) the relative depths of local minima in the boundary energy vs. misorientation curve, (2) the number of combinations of coincidence epitaxy (CE) orientations contributing to the exact misorientation for each of the high-angle-but-low-energy (HABLE) boundaries, and (3) the number of combinations of CE orientations within the angular ranges bracketing each of the exact HABLE boundaries. Hence, these factors can be applied to clarify the origin of special misorientations observed experimentally.     

Influence of Ga vs As prelayers on GaAs/Ge growth morphology

The surface morphology of GaAs films grown on Ge substrates is studied by scanning force microscopy. We find a dramatic difference arising from Ga as opposed to As prelayers in the formation of anti-phase boundaries (APBs), surface features near threading dislocations, and surface roughness, for films as thick as 1 μm. Ga prelayer samples are smooth; thin films display some APBs with predominantly one growth domain while the 1 μm thick film displays the morphology of a homoepitaxial GaAs film. In contrast, As prelayer samples are rough with complicated APB structures, which can be attributed to the increase in single steps during As₂ deposition.     

Structural characterization of ultra-thin (0 0 1) silicon films bonded onto (0 0 1) silicon wafers:: a transmission electron microscopy study

Ultra-thin (0 0 1) silicon films (thickness less than 25 nm) directly bonded onto (0 0 1) silicon wafers have been investigated by transmission electron microscopy. Twist interfacial dislocations accommodate the twist between the two crystals, whereas tilt interfacial dislocations accommodate the tilt resulting from the residual vicinality of the initial surfaces. In low-twist angle grain boundaries, twist interfacial dislocations are dissociated and no precipitates are detected. In high-twist angle grain boundaries, there is no dissociation and a high density of silicon oxide precipitates is observed at the interface. Tilt interfacial dislocations are pinned by these precipitates, they are more mobile than precipitates. Without precipitates, their lines are straighter than those with precipitates, and this is especially when the bonded wafers are annealed at a high temperature. When no precipitates are present, tilt interfacial dislocations are associated by pairs, and we demonstrate that each tilt interfacial dislocations introduce a diatomic interfacial step at the interface.     

Electrical Property Enhancement in Orientation-Modulated Perovskite La-Doped SrTiO3 Thermoelectric Thin Films

Thermoelectric oxide thin films are promising in chip cooling. The issues on the orientation of thin films are essential as they are related to the structures, morphologies, and thermoelectric properties. In this regard, the orientation modulation is conducted on La-doped SrTiO₃ thin films on (LaAlO₃)_0.3(Sr₂TaAlO₆)_0.7 (LSAT) single crystal substrates. Layer-by-layer growth mode is found in (001)- and (110)- oriented thin films, resulting in few grain boundaries (GBs). In (111)-oriented films, island growth mode leads to columnar grain boundaries that build up potential barriers for electrons to be strongly scattered and filtered, suppressing electron mobility and increasing effective mass. In addition, the GBs serve as oxygen vacancy diffusion paths when annealing, causing increased carrier concentration and lattice contraction. The weighted mobility of 71.9 cm² V⁻¹ s⁻¹ and electrical conductivity of ≈600 S cm⁻¹ are realized in the (001)-oriented film at room temperature. Ultimately, outstanding power factor values of ≈569 µW m⁻¹ K⁻² (room temperature) and ≈791 µW m⁻¹ K⁻² (573 K) are successfully achieved, outperforming those in polycrystalline ceramics and (111)-oriented films. This study systematically investigates the influence of grain boundaries and orientations on SrTiO₃-based thermoelectric films, which lays a solid foundation for improving thermoelectric performance in other oxide thin films.     

Grain boundary atomic structures and light-element visualization in ceramics: combination of Cs-corrected scanning transmission electron microscopy and first-principles calculations

Grain boundaries and interfaces of crystals have peculiar electronic structures, caused by the disorder in periodicity, providing the functional properties, which cannot be observed in a perfect crystal. In the vicinity of the grain boundaries and interfaces, dopants or impurities are often segregated, and they play a crucial role in deciding the properties of a material. Spherical aberration (Cs)-corrected scanning transmission electron microscopy (STEM), allowing the formation of sub-angstrom-sized electron probes, can directly observe grain boundary-segregated dopants. On the other hand, ceramic materials are composed of light elements, and these light elements also play an important role in the properties of ceramic materials. Recently, annular bright-field (ABF)-STEM imaging has been proposed, which is now known to be a very powerful technique in producing images showing both light- and heavy-element columns simultaneously. In this review, the atomic structure determination of ceramic grain boundaries and direct observation of grain boundary-segregated dopants and light elements in ceramics were shown to combine with the theoretical calculations. Examples are demonstrated for well-defined grain boundaries in rare earth-doped Al(2)O(3) and ZnO ceramics, CeO(2) and SrTiO(3) grain boundary, lithium battery materials and metal hydride, which were characterized by Cs-corrected high-angle annular dark-field and ABF-STEM. It is concluded that the combination of STEM characterization and first-principles calculation is very useful in interpreting the structural information and in understanding the origin of the properties in various ceramics.     

Characterization of lattice defects in strontium titanate single crystals by X-ray topography and transmission electron microscopy

Lattice defects in SrTiO3 single crystals were characterized by X-ray topography and transmission electron microscopy. We examined two groups of crystals whose lapped faces were (001) and (011), respectively. After taking X-ray topographs, crystals which included relatively many defects were chosen for detailed investigation by transmission electron microscopy, which gave the following results: (i) some subgrain boundaries observed by X-ray topography were small-angle tilt boundaries; and (ii) many dislocations were found in the region where thick line contrast was observed in X-ray topographs. Most of them had <100> type Burgers vectors.     

Grain boundary diffusion mechanisms in metals

In recent years it has become well established that fast diffusion along grain boundaries plays a key role in many important metallurgical processes including cases where net mass is transported along boundaries which act as sources and/or sinks for the fluxes of atoms. In addition, considerable advances have been made in understanding grain boundary structure, and new techniques have become available for studying kinetic phenomena in grain boundaries. This lecture will attempt to review our current knowledge of the atomistic mechanisms responsible for these grain boundary diffusion phenomena. Relevant aspects of the structure of grain boundaries and the point and line defects which may exist in grain boundaries are described first. The important experimental observations are then discussed. Diffusion models are then taken up, and it is concluded that the atomic migration occurs by a point defect exchange mechanism which, in at least the vast majority of boundaries in simple metals, most likely involves grain boundary vacancies. The grain boundary sources and/or sinks required to support divergences in the atomic (vacancy) fluxes are grain boundary dislocations. Phenomena therefore occur which resemblethe Kirkendall Effect in the bulk lattice in certain respects. Additional topics are discussed which include effects of boundary structure on boundary diffusion and the question of whether or not boundary diffusion is faster along migrating than stationary boundaries.