退火温度及退火气氛对ZnO薄膜的结构及发光性能的影响(英文)

采用脉冲激光沉积技术在Si/蓝宝石衬底上制备了ZnO薄膜,结合快速退火设备研究了不同退火温度(500~900℃)及退火气氛(N2,O2)对薄膜的结构及其发光性能的影响。并优化条件得到具有最小半峰全宽及最大晶粒尺寸的薄膜。X射线衍射(XRD)结果表明:氮气氛下退火的ZnO薄膜最佳退火温度为900℃;氧气氛下退火的ZnO薄膜最佳退火温度为800℃。红外(IR)光谱中,退火后Zn-O特征振动峰红移,说明在退火过程中,原子重新排布后占据较低能量位置;同样的退火温度下,氮气氛下退火的薄膜质量更优。同步辐射光电子能谱(synchrotron-based XPS)分别表征了未退火及N2,O2下900℃退火的ZnO薄膜,分峰拟合结果表明氧气氛下退火产生更多的氧空位。结构表征结合光致发光(PL)谱表明绿光的发光峰与氧空位有关。     

发光纳米硅/二氧化硅多层膜的特性与氢气氛退火的影响

利用等离子体增强化学气相沉积法制备了氢化非晶硅/二氧化硅多层膜，通过两步热退火的方法获得了尺寸可控的纳米硅/二氧化硅多层结构，晶粒尺寸约为4nm，在室温下观察到了较强的光致可见发光，其发光峰位于750nm.在此基础上，发现合适的氢气氛退火能有效地提高材料的发光强度.电子顺磁共振实验表明氢气氛退火有效地降低了纳米硅中的非辐射复合中心而导致发光效率的提高.     

含氢气氛下区熔硅单晶中缺陷的研究

利用化学腐蚀和X射线投影貌相方法研究了含氢气氛下区熔无位错硅单晶中的缺陷,发现异常腐蚀现象、缺陷密度与气氛中氢含量紧密相关,观测了纯氢气氛下无位错硅单晶退火后的缺陷,找到了貌相与蚀象的对应关系,还观察了二次退火效应,最后,综合所观测到的结果,讨论了氢在硅单晶中的集聚、沉淀和位错环列的发射、运动及交互作用。 关键词：     

NiFe2O4外延薄膜的制备及后退火效应研究

本文利用脉冲激光沉积方法制备了NiFe2O4磁性绝缘薄膜.X-射线衍射线性扫描测量表明,在MgO(110)单晶衬底上可以生长出高质量的NiFe2O4外延薄膜,原子力显微镜显示其具有平整的表面形貌.我们还研究了后退火处理对样品结构、表面形貌和磁性的影响.结果表明,后退火后薄膜的结构和表面形貌都发生了明显的改变,样品的磁性得到增强.这些效应可归结为在氧气氛下退火处理导致的氧含量的变化以及退火过程中阳离子分布和价态发生改变.     

Co/Cu(111)薄膜生长和退火过程中的扩散

利用同步辐射角分辨光电子能谱和俄歇电子能谱研究了CoCu(111)分子束外延薄膜在生长和退火过程中的电子结构.实验发现:随着Co膜厚度的增加,Cu的sdz2杂化带能级位移相应增大,证实了界面间发生了互混;退火过程中存在表面扩散,而非通过界面的体扩散.并把这两种不同过程的扩散的内在动力归结为Co的表面自由能显著大于Cu的表面自由能 关键词： 表面扩散和界面混合物形成 固体表面能 表面态和能带结构     

退火温度对Cu:ZnO薄膜绿光发射的影响

利用溶胶-凝胶法在Si衬底上制备了不同退火温度的Cu:ZnO薄膜.利用X射线衍射(XRD)、X射线光电子能谱(XPS)、扫描电子显微镜和光致发光谱研究了样品的晶格结构、表面形貌、成分及其发光特性.结果表明:所有样品均具有高度的c轴择优取向,随着退火温度的升高,样品的结晶质量变好,样品的表面都被晶粒覆盖,强而稳定的绿光发射被观察到.绿光强度随退火温度的升高先增加后减小,发光中心位置不随退火温度的变化而改变,这样的绿光发射强而稳定.XRD和XPS结果表明,随退火温度的升高Cu2+还原为Cu+,导致Cu:ZnO薄膜形成的缺陷是VZn,所以绿光发射是由VZn引起的.Cu2+还原为Cu+时,Cu:ZnO薄膜中VZn浓度增加,使绿光发射强度增大.当退火温度超过800?C时,Cu2+的还原能力变差,绿光发射强度减弱.     

中子辐照氢气氛生长硅的红外吸收

用傅里叶变换红外吸收光谱技术测量了中子辐照氢气氛生长区熔硅在1800—2300cm^-1和400—1200cm^-1频段的吸收光谱。给出了较强谱带的退火曲线。与质子注入硅的红外光谱及中子辐照氢气氛生长硅的深能级瞬态谱结果相比较,讨论了相应于一些谱带的硅氢中心的可能结构。 关键词：     

碳纳米管负载Cu-Co复合氧化物的富氢气氛中CO催化消除

采用超声处理辅助浸渍法制备了多壁碳纳米管负载的Cu-Co复合氧化物催化剂. 利用XRD、TEM、H₂-TPR、XPS和Raman光谱等表征了催化剂的结构性质. 在Cu和Co氧化物以及金属氧化物与碳纳米管载体间存在强相互作用. 催化剂在富氢气氛中CO催化消除反应中,与单一Cu或Co催化剂相比,Cu-Co复合氧化物催化剂表现出独特的反应特性,特别是在较高反应温度下可同时结合CO优先氧化和CO甲烷化的反应途径来实现高效CO消除. 当Cu/Co比为1/8时活性最优,可以实现在150～250 o和高反应空速 (120 L/(h·g))富氢气氛中CO的完全消除.     

MOCVD生长的InN薄膜中In分凝现象

利用金属有机物化学气相淀积(MOCVD)方法不同生长条件下在c面蓝宝石衬底上制备了InN薄膜,通过不同的物理表征手段研究了InN薄膜的物理性质,结果表明:合适的生长温度可以抑制InN薄膜表面分凝现象。研究认为较低的生长温度使作为N源的NH3分解率较低,In—N的成键可能性小,导致In在表面聚集出现分凝;而较高生长温度时,InN薄膜中In—N键能较小,易发生断裂,反应活性较强的N和H原子逸离薄膜表面,In滞留在薄膜表面也导致In分凝现象的出现。相对于表面分凝的样品,未出现表面分凝的样品的薄膜晶体质量和表面形貌也得到了提高。同时,通过Raman散射谱研究了晶格振动E2声子模的应力效应。     

银和铜膜中异常晶粒生长和织构变化的实验研究

用透射电子显微镜(TEM)和x射线衍射(XRD)方法对经300℃，2h退火的Ag和Cu自由膜和Si基体上的Ag和Cu附着膜的异常晶粒生长和织构变化进行了实验研究.XRD分析表明：Ag和Cu沉积膜均有(111)和(100)择优取向.但经退火处理后，Ag和Cu自由膜的(111)织构稍有加强.相反，Si基体上的Ag和Cu附着膜的(100)和(110)织构明显加强，同时用TEM在Cu附着膜中观察到了两个(110)和四个(211)取向的异常大晶粒.根据表面能和应变能的各向异性对实验结果进行了分析.     

Role of adsorption on surface composition of Pd–Cu nanoparticles

Monte-Carlo (MC) simulation is used to study the role of adsorption of hydrogen, oxygen and carbon monoxide (CO) on the surface composition and surface bond geometry of Pd–Cu nanoparticles. For clean particles the surface is found to be enriched in Cu. But in the presence of adsorbed hydrogen and CO there is a segregation reversal from Cu segregation at low coverage to Pd segregation at high coverage. In the presence of adsorbed oxygen, on the contrary, the extent of Cu segregation increases with coverage. For a 586-atom nanoparticle with 50% Pd in the bulk the corner sites are found to be occupied by Cu atoms up to one monolayer adsorption. But, while the occupancy of 7, 8 and 9-coordinated sites by Cu atoms decreases with increase of H and CO coverage, for oxygen adsorption this occupancy increases with coverage. The relevance of such results in catalysis studies is discussed.     

A combined XPS/AES study of Cu segregation to the high and low index surfaces of a Cu-Ni alloy

Quantitative information was obtained regarding the equilibrium segregation of Cu to the high index surfaces (cut 5° off the (100) plane in the [001] and [011] directions) and low index surfaces ((100), (111) and (110)) of a Cu: Ni, 5: 95% alloy crystal. Data regarding segregation to the (111) surface of a Cu: Ni, 50: 50% alloy crystal was also obtained. Equilibrium surfaces were obtained by careful annealing in the temperature range 850–920 K to avoid Cu loss by evaporation. The surface composition profile was calculated using data from the combination of the X-ray Photo-electron Spectroscopy and Auger Electron Spectroscopy techniques. Using these techniques, a wide range of electron kinetic energies and associated electron escape depths can be probed, yielding information about the topmost layer concentration and about the concentration profile into the bulk. Extensive Cu segregation was observed for the 5% and 50% Cu alloys. Topmost layer compositions of 85–100% Cu were found for both the high and low index surfaces of the 5% Cu alloy. In the next two or three atomic layers the composition was found to drop swiftly to near bulk Cu levels. For atomic layers deeper than this, some experimental evidence suggested a rise in Cu composition over three or four layers to 8–17% Cu before bulk levels were finally regained. For the 50% Cu alloy sample, a topmost layer composition was found of 95–100% Cu. Bulk levels of Cu were regained in about four atomic layers. These results are discussed in relation to other theoretical and experimental studies of segregation in these Cu-Ni alloys. The significance of the measured composition in relation to an equilibrium surface is also considered.     

Equilibrium and kinetic surface segregation in binary alloy thin films

A general theoretical analysis of the effect of film thickness on equilibrium and kinetic surface segregation in binary alloy thin films is presented. In this analysis, a constrained condition that represents the finite size of thin film system has been introduced to the modified Darken model, which has been used to describe both equilibrium and kinetic surface segregation in bulk materials. Simulation of surface segregation for alloy thin films can be carried out for all composition ranges and all film thicknesses if only knowing the surface segregation parameters for bulk materials. Simulations of equilibrium and kinetic surface segregation in Cu(1 1 1)Ag binary alloy thin film are presented.     

Ta,Ta/Cu缓冲层对NiFe/Fe Mn双层膜交换偏置场的影响

采用磁控溅射方法制备了分别以Ta和Ta/Cu作为缓冲层的一系列NiFe/FeMn双层膜.实验发现,以Ta为缓冲层的NiFe/FeMn双层膜的交换偏置场比以Ta/Cu为缓冲层的NiFe/FeMn双层膜的交换偏置场大.测量了这两种双层膜的织构、表面粗糙度和表面成分.结果表明,以Ta/Cu为缓冲层时,Cu在NiFe层的上表面偏聚是造成NiFe/FeMn双层膜交换偏置场降低的重要原因. 关键词： NiFe/FeMn 交换偏置场 织构 表面粗糙度     

An effect of phonons on the surface segregation of random binary alloys

We have calculated the Einstein temperatures of the alloy surface as a function of composition employing the self-consistent Einstein model. The Einstein temperatures are found to vary almost linearly with surface and bulk compositions. Based upon these calculations,we have estimated the phonon contribution to the surface segregation of CuNi and NiPt alloys.     

A quantitative analysis of surface segregation and in-depth profile of copper-nickel alloys

By utilizing the difference in escape length of the Auger electrons with different energies, a calculation of the in-depth distribution of atomic concentration at the surface is presented on the basis of Palmberg's physical mechanism. Experimental results on clean surfaces of Cu-Ni alloys over the entire composition region with Auger spectroscopy were performed to make the in-depth profile of surface composition caused by annealing. The alloy composition of the first atomic layer at the surface was plotted against the bulk composition, showing significant enric enrichment of Cu atoms in that layer. The results indicated that the segregation takes place in about four atomic layers at the surface.     

基于遗传算法的Au-Cu-Pt三元合金纳米粒子的稳定结构研究

合金纳米粒子展示出单金属粒子所不具有的多功能性能, 而其稳定结构的研究对于进一步了解其催化性能具有重要的意义. 本文采用改进的遗传算法和量子修正Sutton-Chen型多体势对二十四面体Au-Cu-Pt三元合金纳米粒子的稳态结构进行了系统的研究. 针对不同尺寸、不同组成比例的合金纳米粒子, 探讨了遗传算法的收敛性及初始构型对稳态结构的影响. 计算的结果表明: 初始结构的选取并不影响最终的稳定结构, 并且改进的遗传算法具有较好的稳定性; Au和Cu形成表面偏聚, 而Pt则倾向于分布在内层; 当Au或Cu比例较小时, Au和Cu表现出表面最大偏聚; 当Au与Cu原子数之和大于表面原子数时, 二者表现出竞争偏聚, 且Cu的偏聚效应较强; 随着Au, Cu原子数继续增长至大于表面和次表面原子数之和时, Au的偏聚性能增强. 此外, Cu在占据表面后, 会越过次外层, 与Pt在内层形成混合相结构.     

Study of Cu-Ti Glasses by Auger electron spectroscopy

Surface composition, and composition profiles to depths of 20 μm, have been obtained on specimens of Cu-Ti produced by rapid quenching on a rotating disc. Significant variations of depth profile from that of the bulk material are observed in the surface region showing that selective segregation of Ti and Cu occur during formation and treatment. Also, significant oxygen contamination is observed.     

Element segregation on the surfaces of pure aluminum foils

The surface segregation trend of trace elements in pure aluminum foils was investigated by density functional theory. The model of nine-layer Al(1 0 0) slab substituted partially by trace element atoms was proposed for calculating surface segregation energy. The calculating results show that (i) B, Mg, Si, Ga, Ge, Y, In, Sn, Sb, Pb and Bi exhibit negative segregation energy and possibly move to the surface, while Be, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zr exhibit positive segregation energies and migrated into the bulk; (ii) the segregation energy was found to be related with the covalent radius, the relaxed position at the surface of the substituting atom and the surface energy; (iii) the segregation behavior of trace element generates lots of defects and dislocation, which can increase the initial pitting nucleation sites in the surface of aluminum foils; (iv) the impurity atom concentration was tested with Pb-doped surfaces, the calculated negative segregation energies in all coverage increases rapidly with the Pb coverage. These conclusions are helpful for designing of the chemical composition and to advance the tunnel etching of aluminum foils.     

Equilibrium and kinetic surface segregations in Cu–Sn thin films

Equilibrium and kinetic surface segregations in Cu–Sn thin films are simulated based on the modified Darken model for a finite sized system. The simulations are carried out for all compositional ranges and film thicknesses. The segregation energy and the interaction parameter for the simulation are determined respectively by the Miedema model and from the thermodynamic data used for the Cu–Sn phase diagram calculation. The strong negative interaction parameter restrains Sn surface segregation in the Cu–Sn system. The size effect on surface segregation depends on the segregation energy, interaction parameter, initial bulk concentration, temperature and film thickness.