(111)Si上外延生长六方GaN的TEM观察

利用衍衬、SAED、HRTEM对在（111）Si上外延生长的六方GaN进行了观察分析。GaN外延层与缓冲层和基底的取向关系为(0001)_(GaN)∥(0001)_(AlN)∥(111)_(Si)，[11(2-bar)0]_(GaN)∥[11(2-bar)0]_(AlN)∥[110]_(Si)。GaN外延层中存在倒反畴。GaN中位错以刃型位错为主。In_(0.1) Ga_(0.9) N/GaN的多重量子阱结构（MQW）具有阻挡穿透位错，降低位错密度的作用。

质量分离的双离子束沉积法生长CeO_2（111）/Si薄膜

国家973计划

Microstructural and compositional characteristics of GaN films grown on a ZnO-buffered Si(111) wafer

Polycrystalline GaN thin films have been deposited epitaxially on a ZnO-buffered (111)-oriented Si substrate by molecular beam epitaxy. The microstructural and compositional characteristics of the films were studied by analytical transmission electron microscopy (TEM). A SiO2 amorphous layer about 3.5 nm in thickness between the Si/ZnO interface has been identified by means of spatially resolved electron energy loss spectroscopy. Cross-sectional and plan-view TEM investigations reveal (GaN/ZnO/SiO2/Si) layers exhibiting definite a crystallographic relationship: [111](Si)//[111](ZnO)//[0001](GaN) along the epitaxy direction. GaN films are polycrystalline with nanoscale grains (similar to100 nm in size) grown along [0001] direction with about 20degrees between the (1 (1) over bar 00) planes of adjacent grains. A three-dimensional growth mode for the buffer layer and the film is proposed to explain the formation of the as-grown polycrystalline GaN films and the functionality of the buffer layer. (C) 2004 Elsevier Ltd. All rights reserved.

Microstructure of GaN films grown on Si(111) substrates by metalorganic chemical vapor deposition

We report the transmission electron microscopy (TEM) study of the microstructure of wurtzitic GaN films grown on Si(I I I) substrates with AlN buffer layers by metalorganic chemical vapor deposition (MOCVD) method. An amorphous layer was formed at the interface between Si and AlN when thick GaN film was grown. We propose the amorphous layer was induced by the large stress at the interface when thick GaN was grown. The In0.1Ga0.9N/GaN multiple quantum well (MQW) reduced the dislocation density by obstructing the mixed and screw dislocations from passing through the MQW. But no evident reduction of the edge dislocations by the MQW was observed. It was found that dislocations located at the boundaries of grains slightly in-plane misoriented have screw component. Inversion domain is also observed. (C) 2003 Elsevier B.V. All rights reserved.

Structural properties and Raman measurement of AlN films grown on Si (111) by NH3-GSMBE

Epitaxial growth of AlN has been performed by molecular beam epitaxy (MBE) with ammonia. The structural properties of materials were studied by cross-sectional transmission electron microscopy (TEM), X-ray diffraction (XRD), and atomic force microscopy (AFM). XRD and TEM diffraction pattern confirm the AlN is single crystalline 2H-polytype with the epitaxial relationship of (0001)AlNparallel to(111)Si, [11 (2) over bar0](AlN)parallel to[110](Si), [10 (1) over bar0](AlN)parallel to[11 (2) over bar](Si). Micro-Raman scattering measurement shows that the E-2 (high) and A(1) (LO) phonon mode shift 9 cm(-1) toward the low frequency, which shows the existence of large tensile strain in the AlN films. Furthermore, the appearance of forbidden A, (TO) mode and its anomalous shift toward high frequency was found and explained. (C) 2002 Elsevier Science B.V. All rights reserved.

Microstructural and compositional characteristics of GaN films grown on a ZnO-buffered Si(111) wafer

Polycrystalline GaN thin films have been deposited epitaxially on a ZnO-buffered (111)-oriented Si substrate by molecular beam epitaxy. The microstructural and compositional characteristics of the films were studied by analytical transmission electron microscopy (TEM). A SiO2 amorphous layer about 3.5 nm in thickness between the Si/ZnO interface has been identified by means of spatially resolved electron energy loss spectroscopy. Cross-sectional and plan-view TEM investigations reveal (GaN/ZnO/SiO2/Si) layers exhibiting definite a crystallographic relationship: [111](Si)//[111](ZnO)//[0001](GaN) along the epitaxy direction. GaN films are polycrystalline with nanoscale grains (similar to100 nm in size) grown along [0001] direction with about 20degrees between the (1 (1) over bar 00) planes of adjacent grains. A three-dimensional growth mode for the buffer layer and the film is proposed to explain the formation of the as-grown polycrystalline GaN films and the functionality of the buffer layer. (C) 2004 Elsevier Ltd. All rights reserved.

Microtwins and twin inclusions in the 3C-SiC epilayers grown on Si(001) by APCVD

Microtwins in the 3C-SiC films grown on Si(001) by APCVD were analyzed in detail using an X-ray four-circle diffractometer. The empty set scan shows that 3C-SiC films can grow on Si substrates epitaxially and the epitaxial relationship is revealed as (001)(3C-SiC)//(001)(Si), [111](3C-SiC)//[111](Si). Other diffractions emerged in the pole figures of the (111) 3C-SiC. We performed the (10 (1) over bar0) h-SiC and the reciprocal space mapping of the (002) plane of twins for the first time, finding that the diffractions at chi = 15.8 degrees result from not hexagonal SiC but microtwins of 3C-SiC, and twin inclusions are estimated to be 1%.

Uniformity Investigation in 3C-SiC Epitaxial Layers Grown on Si Substrates by Horizontal Hot-Wall CVD

50mm 3C-SiC epilayers are grown on （100） and （111） Si substrates in a newly developed horizontal lowpressure hot-wall CVD reactor under different growth pressures and flow rates of H_2 carrier gas. The structure,electrical properties, and thickness uniformity of the 3C-SiC epilayers are investigated by X-ray diffraction （XRD） ,sheet resistance measurement, and spectroscopic ellipsometry. XRD patterns show that the 3C-SiC films have excellent crystallinity. The narrowest full widths at half maximum of the SIC（200） and （111） peaks are 0.41° and 0.21°, respectively. The best electrical uniformity of the 50mm 3C-SiC films obtained by sheet resistance measurement is 2.15%. A σ/mean value of ± 5.7% in thickness uniformity is obtained.

Si衬底和Si-SiO2-Si柔性衬底上的GaN生长

使用MBE方法在Si(111)衬底和Si-SiO2-Si柔性衬底上生长了GaN外延层,并对在两种衬底上生长的样品进行了对比分析.在柔性衬底上获得了无裂纹的外延层,其表面粗糙度为0.6nm.研究了GaN外延层中的应力及其光学性质,光致发光测试结果表明柔性衬底上生长的外延层中应力和杂质浓度明显低于直接生长在Si衬底上的样品的值.研究结果显示了所用柔性衬底有助于改善GaN外延膜的质量.

GaN蓝光材料新型ZnO/Si外延衬底的溅射沉积

采用常规磁控溅射方法，通过优化工艺，在Si(100),Si(111)多种基片上沉积ZnO薄膜。利用透射电镜(TEM)、X射线衍射(XRD)和X射线摇摆曲线(XRC)，对ZnO薄膜的微区形貌、结晶情况、C轴择优取向进行了详细的测试分析。结果表明，所制备的ZnO薄膜具有理想的结构特性，大多数样品测得ZnO(002)晶面XRC的半高宽(FWHM)1°左右，最小值达0.353°，优于目前国内外同类研究的最佳结果2°。并对ZnO/Si(100)与ZnO/Si(111)衬底的结果进行了比较和讨论。

硅（111）和金（111）基底自组装膜表面纳米图案化与功能化

利用导电原子力显微镜在烷基化自组膜/Si(111)和巯基自组膜/Au(111)上加工纳米模板,结合组装的方法构建功能化纳米图案。在烷基化自组膜/Si(111)上施加偏压可以得到SiO2纳米图案,此图案可以做功能化模板,将图案化区域组装胺基作为端基的硅烷后,通过1-乙基-3-（3-二甲基氨基丙基）碳二亚胺盐酸盐(EDC)/N-羟基琥珀酰亚胺(NHS)试剂活化共价结合11-巯基十一酸(MUA)稳定的金纳米粒子,得到金纳米粒子功能化纳米图案。在烷基硫醇自组装膜/Au(111)施加偏压可以选择性移除自组装膜,移除自组装膜后新暴露的金可以用做纳米模板,在此模板上组装MUA后通过EDC/NHS活化共价键合溶菌酶,得到蛋白质功能化的纳米点阵图案。

基于第一原理的固体变形、强度及外延成长研究

本文基于第一原理的能量计算和稳定性理论，研究了双原子组分材料β-SiC在各种载荷方式下的力学性质：弹性行为、应力－应变关系、稳定性和强度。由于沿[111]方向加载时四个Si-C键是不等价的，所以有相对内位移出现。本文的分析揭示了如下事实：当载荷较小时，内位移的影响不明显；当载荷较大时，影响则越来越显著；裂纹在{111}shuffle面上成核，并最终导致材料以解理的形式破坏。在沿[001]单轴拉伸的情况下，spinodal失稳（即体破坏）和Born失稳被同时触发，并体现了一种级联破坏的模式。基于同样的理论和方法，进一步研究了铝在各种加载方式下的响应及分叉行为。得到了铝的沿[001]和[111]方向单轴加载和单轴应变、及沿[010]和[001]方向的双轴比例加载情况下的、完整的能量－应变曲线和应力－应变曲线。详细地分析了沿[001]方向的单轴加载情况下的稳定性及分叉行为。研究结果表明，除了自然的面心立方结构外，所有其它的、应力自由的立方结构都是不稳定的。对于铝而言，稳定的面心立方结构不能从沿任何等价的[001]和[111]方向的单轴压缩的方法而得到。本文的结果丰富了现存的第一原理数据库。基于第一原理的能量计算，分析了碱金属K、Rb和Cs在如下四个结晶面上外延成长的行为，即{001}、{110}、{111}和{201}。发现除了在{110}面以外，在其它的三个结晶面上都发现有亚稳态存在。当外延应变为拉伸状态时，在{001}和{111}面上存在着亚稳态，其结构为b.c.c.结构。当外延应变为压缩状态时，在{201}面存在一个亚稳态，是一个超结构，。亚稳态的存在显著地影响着材料外延成长的软化行为。基于正交变形路径，并考虑了温度的影响以后，解释了实验上观察到的碱金属从h.c.p.结构转变到b.c.c.结构的现象。本文第五章归纳整理在赝势平面波框架下的总能、力和应力在实空间和动量空间的解析表达式，以方便参阅和使用。

X-ray-diffraction study of quasipseudomorphic ErSi1.7 layers formed by channeled ion-beam synthesis

ErSi1.7 layers with high crystalline quality (chi(min) of Er is 1.5%) have been formed by 90 keV Er ion implantation to a dose of 1.6X10(17)/cm(2) at 450 degrees C using channeled implantation. The perpendicular and parallel elastic strain e(perpendicular to)=-0.94%+/-0.02% and e(parallel to)=1.24%+/-0.08% of the heteroepitaxial erbium silicide layers have been measured with symmetric and asymmetric x-ray reflections using a double-crystal x-ray diffractometer. The deduced tetragonal distortion e(T(XRD))=e(parallel to)-e(perpendicular to)=2.18%+/-0.10%, which is consistent with the value e(T(RBS))2.14+/-0.17% deduced from the Rutherford backscattering and channeling measurements. The quasipseudomorphic growth of the epilayer and the stiffness along a and c axes of the epilayer deduced from the x-ray diffraction are discussed.

Si（111）衬底上ZnO薄膜的磁控溅射法制备及表征

采用磁控溅射法在(111)单晶硅衬底上沉积了ZnO薄膜，并研究了退火温度对ZnO薄膜晶体质量、晶粒度大小、应力和光致发光谱的影响。X射线衍射(XRD)表明薄膜为高度c轴择优取向。不同退火温度下的ZnO薄膜应力有明显变化。应力分布最为均匀的退火温度为500℃。室温下对ZnO薄膜进行了光谱分析，可观测到明显的紫光发射(波长为380nm左右)。实验结果表明，用磁控溅射法在单晶硅衬底上能获得高质量的ZnO薄膜。

退火对Si（111）衬底上ZnO薄膜的结构和发光特性的影响

采用磁控溅射法在硅（111）衬底上制备了C轴高度取向的ZnO薄膜，并研究了退火温度和氧气气氛对ZnO薄膜晶体质量、晶粒度大小和光致发光谱的影响。X射线衍射表明，所有薄膜均为高度C轴择优取向，当退火温度低于900℃时，随着退火温度的升高，薄膜的取向性和结晶度都明显提高。室温下对ZnO薄膜进行了光谱分析，退火后的样品均可观测到明显的紫光发射。在一定的退火温度范围内，还可以观测到明显的紫外双峰。空气中退火的样品，当退火温度达到或高于600℃还可观测到绿光发射。实验结果表明，发光峰强度随退火温度和氧气气氛不同而不