氧化锌纳米带中的面缺陷

面缺陷是纳米带中非常普遍和非常重要的一类缺陷.在有些情况下,面缺陷对于高表面能指数面的出现起着决定性的作用, 同时,它们可以诱导纳米带沿着特殊的方向生长.面缺陷可以是孪晶或双晶,层错和由杂质原子聚集在特定原子面所形成的间隙原子层.在本文中,利用透射电子显微术,我们将介绍氧化锌纳米带中被发现的几种面缺陷.我们确认了两种孪晶/双晶结构,它们的孪晶面分别是(0113)和(2112)面.基面层错有I1 和I2两种.在大尺寸的纳米带中,I1基面层错可以折叠到(2110)面形成棱面层错.当少量的In离子掺入氧化锌纳米带后,我们发现伴随着杂质In在基面的聚集,形成了两种倒反畴界.     

晶体生长的缺陷机制

晶体生长是一个复杂的相变过程。自80年代以来,闵乃本及其研究组系统地研究了晶体生长的缺陷机制。在理论分析和实验观察的基础上,他们发展了晶体生长的位错机制（包括刃位错和混合位错机制）,层错机制,孪晶机制、重入角机制以及重入角生长和粗糙界面生长的协同机制。根据这些机制可以得出结论：任何可以在晶体生长表面提供台阶源的缺陷都能为晶体生长作出贡献,这些台阶源包括完全台阶和不完全台阶（亚台阶）,近年来,P.Bennema及其合作者系统地研究了在照相工业中广泛应用的卤化银和金属银的晶体生长机理,在大量实验事实和理论分析的基础上,他们认为亚台阶理论（称作闵氏理论）不仅可适用于溶液生长,也适用于气相生长的机理研究;不仅适于作理论分析,而且可用于寻求最佳生产条件的指导,亚台阶理论是晶体生长的一个普适理论,文章介绍了闵乃本及其研究组提出理论及P.Bennema研究组近年来在这方面的工作进展。     

纳米晶永磁中面缺陷对畴壁钉扎机理的研究

畴壁钉扎模型的矫顽力可以表示为Hc=αpink2K1/μ0Ms-NeffMs，计算了微结构参数αpink随面缺陷内磁性参数A′和K′1的变化情况.结果表明，αpink可以在很宽的范围里取值.结合纳米单相Nd2Fe14B磁体，研究了晶粒边界的磁性参数和晶界厚度对αpink的影响，当A′/A=05，K′1/K1=01，以及晶界厚度r0＝332nm时，αpink最大.同时研究了纳米复相Nd2Fe14B/α-Fe磁体的αpink随α-Fe晶粒尺寸r0的变化情况，当r0＝7nm时，αpink最大. 关键词： 面缺陷 矫顽力 钉扎机理 纳米晶     

γ-TiAl金属间化合物面缺陷能的分子动力学研究

运用分子动力学方法，对γ-TiAl金属间化合物的面缺陷能(层错能和孪晶能)进行了研究. 计算得到γ-TiAl不同滑移系(或孪生系)的整体堆垛层错能曲线，结果表明，γ-TiAl较一般fcc晶体结构的金属可动滑移系(孪生系)的数量减少，在外界条件下呈脆性. 研究孪生系(1/6)〈112〉{111}的弛豫的整体堆垛层错(GSF)能和整体孪晶(GTF)能曲线，对不稳定层错能γ_usf、稳定层错能γ_sf和不稳定孪晶能γ_usf值进行分析，可以预知， γ-TiAl的主要变形机理为孪生系(1/6)〈112〉{111}的孪生和普通滑移系(1/6)〈110〉{111}的滑移，以及超滑移系(1/2)〈011〉{111}的滑移. 关键词： γ-TiAl')" href="#">γ-TiAl 堆垛层错能 孪晶能 分子动力学     

含单排线缺陷锯齿型石墨烯纳米带的电磁性质

基于密度泛函理论的第一性原理方法,研究了含单排线缺陷锯齿型石墨烯纳米带(ZGNR)的电磁性质,主要计算了该缺陷处于不同位置时的能带结构、透射谱、自旋极化电荷密度、总能以及布洛赫态.研究表明,含单排线缺陷的ZGNR和无缺陷的ZGNR在非磁性态和铁磁态下都为金属.虽然都为金属,但其呈金属性的成因有差异.在反铁磁态下,单排线缺陷越靠近ZGNR的边缘,对ZGNR电磁性质的影响越明显,缺陷由ZGNR对称轴线向边缘移动过程中,含单排线缺陷的ZGNR有一个半导体-半金属-金属的相变过程.虽然线缺陷靠近中线的ZGNR为半导体,但由于缺陷引入新的能带,导致含单排线缺陷的ZGNR的带隙小于无缺陷ZGNR的带隙.单排线缺陷紧邻边界时,含缺陷ZGNR最稳定;单排线缺陷位于次近邻边界位置时,含缺陷ZGNR最不稳定.在反铁磁态下,对单排线缺陷位于对称轴线的ZGNR施加适当的横向电场,可以实现半导体到半金属的转变.这些研究结果对于发展基于石墨烯的纳米电子器件有重要的意义.     

晶种分布对氧化锌纳米棒生长的影响

采用水热法在氧化锌晶种修饰的衬底上生长氧化锌纳米棒,利用扫描电子显微镜(SEM)和X射线衍射仪(XRD)系统地分析了晶种分布状态对氧化锌纳米棒排列的影响.SEM结果表明随着晶种密度的增大,氧化锌纳米棒从排列无序向具有高度取向的紧密有序纳米棒阵列转变,反映纳米棒端面垂直生长优化;XRD表征显示,随着晶种密度的增大,(002)峰增强,(110)峰减弱,即端面衍射增强,侧面衍射减弱,与SEM结果相对应.同时在生长的氧化锌纳米棒中存在链状和花状的簇结构,分析表明这些簇结构与晶种在衬底上的特殊分布状态有关.     

基于分子动力学的石墨炔纳米带空位缺陷的导热特性

空位缺陷石墨炔比完整石墨炔更贴近实际材料,而空位缺陷的多样性可导致更丰富的导热特性,因此模拟各种空位缺陷对热导率的影响显得尤为重要.采用非平衡分子动力学方法,通过在纳米带长度方向上施加周期性边界条件,基于AIREBO(adaptive intermolecular reactive empirical bond order)势函数描述碳-碳原子间的相互作用,模拟了300 K时单层石墨炔纳米带乙炔链上单空位缺陷和双空位缺陷以及苯环上单空位缺陷对其热导率的影响,利用Fourier定律计算热导率.模拟结果表明,对于几十纳米尺度范围内的石墨炔纳米带热导率,1)由于声子的散射集中和声子倒逆过程增强,与完美无缺陷的石墨炔纳米带相比,空位缺陷会导致石墨炔纳米带热导率的下降;2)由于声子态密度匹配程度高低的不同,相比于乙炔链上的空位缺陷,苯环的空位缺陷对石墨炔纳米带热导率影响更大,乙炔链上空位缺陷数量对石墨炔纳米带热导率的影响明显;3)由于尺寸效应问题,随着长度增加,石墨炔纳米带热导率会相应增大.本文的研究可为在一定尺度下进行石墨炔纳米带热导率的调控问题提供参考.     

氧化锌纳米晶高压下的晶粒演化和性能

用GS-1B型六面顶压机研究了ZnO纳米晶高压下的晶粒演化和性能，用X射线衍射仪和场发射扫描电子显微镜对高压样品的晶粒尺寸、微观形貌进行了表征.结果表明，高压下ZnO纳米晶存在压致晶粒碎化效应.硬度和伏安特性实验表明，高压调制后样品的显微硬度约是常压烧结样品硬度的2.3倍，非线性伏安特性明显优于常压烧结样品. 关键词： 氧化锌纳米晶 高压 压致碎化 非线性伏安特性     

氧化锌叶片状纳米晶的结构和光谱特性

熔盐法对sol-gel法生成的前驱物处理合成新颖的叶片状的氧化锌纳米结构,TEM照片显示其长度300-500nm,宽度为50-80nm,两头尖端约呈25°夹角,形状基本沿中轴呈中心对称。其生长过程进行了研究:弯曲了的ZnO纳米棒闭合形成框架结构,框架内沿中轴方向并排生长的ZnO纳米线填满框架内的空隙形成叶片状的氧化锌纳米结构。Raman谱测量发现该结构是晶化的六角相氧化锌。对叶片状的氧化锌的声子限制效应进行了研究,并与纳米颗粒氧化锌予以比较。435cm-1的E2峰的Fano不对称具有正的Fano耦合系数。发现在585nm处出现光致发光峰,归于ZnO纳米结构中氧缺陷的作用。     

High-resolution transmission electron microscopy investigation of the nanostructure of undoped and Pt-doped nanocrystalline pulsed laser deposited SnO2 thin films

Pulsed laser deposition (PLD) was used to grow nanocrystalline SnO₂ thin films onto alumina substrates. The reactive PLD process was carried out at different substrate deposition temperatures (T_d) between 20 and 600 °C under an oxygen background pressure of 150 mtorr. The same PLD technique was used to produce SnO₂ films in situ-doped with Pt (at the level of ∼2 at. %) through the concomitant ablation of both SnO₂ target and Pt strips. Conventional and high-resolution transmission electron microscopy (HRTEM) observations have revealed that the microstructure of the PLD SnO₂ films is highly sensitive to their deposition temperature. Indeed, its changes from a porous granular structure with extremely fine equiaxed grains (∼4 nm diameter), at T_d=20 °C to a very compact and textured columnar structure characterized by SnO₂ columns (∼25 nm diameter) composed of grains of ∼12 nm of diameter, at T_d=600 °C. In addition, the PLD SnO₂ films were found to exhibit the highest nanoporosity at T_d=300 °C which also coincides with the granular-to-columnar microstructural transition. On the other hand, the microstructure of the Pt-doped SnO₂ films, deposited at 300 °C, was found to contain a high density of defects, such as twin boundaries and edge dislocations. By combining HRTEM and EDS microanalysis, we were able to show that the Pt-dopant self-organizes into spherical nanoparticles (1-2 nm diameter) randomly distributed at the SnO₂ grain boundaries. Finally, doping the films with such platinum nanoclusters is found to affect the SnO₂ nanostructure by particularly reducing the SnO₂ mean grain size (from ∼10 nm when undoped to ∼6 nm for the doped films).     

Atomic-scale study of precipitates (NbC and Cu-rich phase) at the twin boundary in the long time ageing austenitic stainless steel

ABSTRACT

Microstructures of Cu-rich phases and NbC precipitated phases have been studied in a long time ageing austenitic stainless steel by high resolution scanning transmission electron microscopy. The interaction difference between the twins and the second phases found to be dependent on the nature of the precipitates. The Cu-rich phases were identified to be twinned at the twin boundary. Nevertheless, the NbC precipitates not only twinned at the twin boundary but also induced the twin boundary bypass them. A particle size dependence of the generation of misfit dislocations also was detected at interface between precipitates and the austenitic matrix.     

Direct Observation of the Barrier Structure of a Praseodymium-Doped Grain Boundary in a Zinc Oxide Bicrystal by Charge Collection Microscopy

A zinc oxide bicrystal, in which the grain boundary was doped with praseodymium oxide, was prepared by hot pressing. The grain boundary showed characteristic varistor breakdown. Scanning electron microscope (SEM) observation revealed that the amount of visible praseodymium oxide along the interface was variable. Charge collection microscopy, using the remote electron beam induced current (REBIC) configuration, was carried out and the grain boundary was found to be electrically active in the praseodymium oxide rich regions, showing contrast consistent with the presence of a double Schottky barrier (DSB). In Pr poor regions the DSB contrast was lost. The observations are consistent with the idea of barrier enhancement with doping in varistors.     

Atom location in complex lattices: Pb in α-Al2O3

The channeling technique has been used to locate Pb implanted into α-Al₂O₃ single crystal. The main purpose has been to learn how to obtain information about the location of an impurity in a complex structure. A Pb location is proposed according to data of full angular scans through different axial and planar channeling dips.     

Transmission electron microscopy observation of a deformation twin in TWIP steel by an ex situ tensile test

The formation of deformation twins in twinning-induced plasticity steels was observed in transmission electron microscope by an ex situ tensile test. The twinning process initially includes formation of extended dislocations at primary slip plane, then cross-slip to a conjugate slip plane with dissociation of the leading partial into a stair-rod dislocation and an emitted partial, and finally un-faulting of the original faults and formation of Frank partials. Repetition of the operation of the process on successive conjugate planes results in the formation of deformation twins. The formation mechanism of deformation twins can thus be explained by improving the stair-rod cross-slip model.     

Observation of inversion domain boundaries in Mg-doped AlGaN layers grown by metalorganic chemical vapor deposition

We have investigated the formation of inversion domain boundaries in Al_0.13Ga_0.87N layers grown on sapphire substrates by metalorganic chemical vapor deposition using transmission electron microscopy (TEM). We found that the shape of inversion domain boundaries strongly depends on Mg source flow rate in the Mg-doped Al_0.13Ga_0.87N layers. By increasing the Mg source flow rate, the shape of inversion domain boundaries is changed from the vertical shape to the horizontal shape. In addition, the change of polarity by the horizontal shape inversion domain boundary (IDB) resulted in the inverted rotation of pyramidal shape IDB within the Mg-doped Al_0.13Ga_0.87N layers.     

Microstructural study of MBE-grown ZnO film on GaN/sapphire (0001) substrate

Single crystalline ZnO film is grown on GaN/sapphire (0001) substrate by molecular beam epitaxy. Ga₂O₃ is introduced into the ZnO/GaN heterostructure intentionally by oxygen-plasma pre-exposure on the GaN surface prior to ZnO growth. The crystalline orientation and interfacial microstructure are characterized by X-ray diffraction and transmission electron microscopy. X-ray diffraction analysis shows strong c-axis preferred orientation of the ZnO film. Cross-sectional transmission electron microscope images reveal that an additional phase is formed at the interface of ZnO/GaN. Through a comparison of diffraction patterns, we confirm that the interface layer is monoclinic Ga₂O₃ and the main epitaxial relationship should be and .      

Investigation of V-shaped extended defects in a 4H–SiC epitaxial film

Abstract

We investigated two types of V-shaped extended defects on the basal plane in epitaxial 4H-SiC by synchrotron X-ray topography, photoluminescence imaging/spectroscopy and transmission electron microscopy (TEM). One is the (2, 5) stacking fault (in Zhdanov notation) bounded by two partial dislocations with the Burgers vector b ± 1/4[0?0?0?1]; the other is the (2, 3, 3, 5) stacking fault bounded by partial dislocations with b = ±1/4[0?0?0?1]. The core of the partial dislocations associated with the (2, 3, 3, 5) fault has an out-of-plane component (Frank component) and three in-plane components (Shockley components); the three Shockley components are cancelled out in total. The electronic structures of the (2, 5) and (2, 3, 3, 5) stacking faults were further examined by photoluminescence spectroscopy and first-principles calculations. It is suggested that the (2, 5) and (2, 3, 3, 5) stacking faults both have an interband state at a similar energy level, although they differ structurally.