掺镧PbWO4闪烁晶体的缺陷研究

利用正电子湮没寿命谱(PAT)和X射线电子能谱(XPS)研究了掺镧所引起的PbWO4晶体缺陷的变化.结果表明:掺镧后,PbWO4晶体中的正电子捕获中心铅空位(VPb)浓度增加,并进一步诱导低价氧浓度的增加.讨论了掺La的作用机制,认为掺La将抑制晶体中的氧空位,增加铅空位浓度.     

利用正电子湮没技术研究钾掺杂钨合金中的缺陷

钨合金中钾的掺杂会引入大量的缺陷,如尺寸几十纳米的钾泡、高密度的位错以及微米量级的晶粒带来的晶界等,这些缺陷的浓度和分布直接影响合金的服役性能.本文运用正电子湮没谱学方法研究钾掺杂钨合金中的缺陷信息,首先模拟计算了合金中各种缺陷的正电子湮没寿命,发现钾的嵌入对空位团、位错、晶界等缺陷的寿命影响很小;然后测量了不同钾含量掺杂钨合金样品的正电子湮没寿命谱,建立三态捕获模型,发现样品中有高的位错密度和低的空位团簇浓度,验证了钾对位错的钉扎作用,阐述了在钾泡形成初期是钾元素与空位团簇结合并逐渐长大的过程;最后使用慢正电子多普勒展宽谱技术表征了样品中缺陷随深度的均匀分布和大量存在,通过扩散长度的比较肯定了钾泡、晶界等缺陷的存在.     

掺镧PbWO4闪烁晶体的缺陷研究

利用正电子湮没寿命谱(PAT)和X射线电子能谱(XPS)研究了掺镧所引起的PbWO₄ 晶体缺陷的变化.结果表明：掺镧后,PbWO₄晶体中的正电子捕获中心铅空位(V< sub>Pb)浓度增加,并进一步诱导低价氧浓度的增加.讨论了掺La的作用机制,认为掺 La将抑制晶体中的氧空位,增加铅空位浓度. 关键词： 掺镧钨酸铅晶体 正电子湮没寿命谱 X射线电子能谱 缺陷     

硫化温度对ZnS薄膜生长质量的影响

采用热反应法对玻璃衬底上以磁控溅射制备的Zn薄膜进行硫化,制备出ZnS薄膜。薄膜的微观结构、物相结构和表面形貌分别采用正电子湮没技术（PAT）、X射线衍射仪（XRD）、扫描电子显微镜（SEM）进行分析和表征。利用慢正电子湮没多普勒展宽对四个不同硫化温度下得到的ZnS薄膜样品中膜层结构缺陷进行研究,测量了薄膜中的空位型微观缺陷的相对浓度,指出445℃硫化样品中正电子注入能量在1.5~4.5 keV后S参数最小,说明该硫化温度下反应生成的ZnS薄膜结构缺陷浓度最小,膜的致密度最高。XRD结果显示薄膜在445℃以上硫化后,呈（111）择优生长趋势。从扫描电镜的结果也可以看出,在445℃硫化后,薄膜的晶粒明显地变得更大、更致密,这是因为ZnS晶胞比Zn晶胞大以及硫化过程中ZnS固相再结晶的缘故。ZnS thin films have been prepared by sulfurizing zinc thin films deposited on glass substrate by magnetron sputtering for two hours. The microstructure defects, crystallizations and surface morphology of zinc films sulfurized at different temperature were analyzed by PAT (positron annihilation technique), XRD(X-ray diffraction) and SEM (Scanning electron microscopy), respectively. For analyzing the structure defect of four samples with different sulfurization temperature, PAT has been used to obtain the relative concentration of defects. With the positron energy range of 1.5~4.5 keV, the S parameter of ZnS films is minimum. It demonstrates that ZnS films produced at 445℃ have the minimum structural defect concentration and the highest density. XRD results show that films are blende structure with the preference of (111) orientation above 445℃. And from the result of SEM, because of ZnS films recrystallization, the crystal grains obviously become large and dense at 445℃.     

聚乙烯亚胺改性介孔二氧化硅SBA-15微观结构的小角X射线散射及正电子湮没谱学研究

SBA-15由于具有高比表面积、孔容大、孔径可调、热稳定性好和成本相对低廉等优点,在吸附、分离、催化和纳米材料等领域具有广泛的应用前景,而利用有机官能团改性SBA-15已经成为当前材料的热点之一,但有机官能团的引入势必会影响材料的孔结构,进而影响其性能.因此,如何更全面地表征材料的孔结构也成为人们关注的焦点.采用小角X射线散射(SAXS)技术对PEI/SBA-15介孔分子筛的孔结构进行表征,利用相关函数和弦长分布理论得到了聚乙烯亚胺改性介孔二氧化硅(PEI/SBA-15)的孔结构和周期性信息,结合正电子湮没寿命谱(PALS)技术进行比较.结果表明:随着PEI质量分数的增加,PEI/SBA-15介孔分子筛的周期性结构没有发生明显变化,通过弦长分布(CLD)函数得到的孔径尺寸也仅从8.3 nm降至7.6 nm.利用PALS获得了2种长寿命组分τ₃和τ₄,其中τ₃反映了SBA-15基体内部的无规微孔结构,而τ₄反映SBA-15六方孔道的尺寸,与SAXS结果相比,介孔孔径具有相同的变化趋势.通过结合SAXS...     

用正电子研究NaCl在NaY沸石上的固溶过程

用正电子湮没谱学研究NaCl与NaY沸石机械混合后, NaCl在NaY中的固溶扩散过程.分别测量不同质量比的NaCl/NaY［(1—20)%］经500℃烘烤1h，NaCl/NaY(15%)经不同温度烘烤1h,以及NaCl/NaY(15%)经500℃烘烤不同时间后的正电子寿命谱.所有寿命谱都出现了5个寿命分量, 其中第3，4，5寿命分别与β笼、超笼及沸石微粒界面空洞的大小和数量相关.实验表明正电子湮没谱学能敏感地表征NaCl在NaY中的固溶扩散过程. 关键词： 正电子湮没谱学 氯化钠 沸石     

氧掺入对纳米硅薄膜微结构及能带特性的影响

采用等离子体增强化学气相沉积法(PECVD)制备了富硅氧化硅薄膜,利用XRD衍射仪,傅里叶变换红外透射光谱仪以及紫外-可见光分光光度计分析了氧掺入对薄膜微观结构以及能带特性的影响。结果表明,随着氧掺入比(CO₂/SiH₄)的增加,薄膜晶粒尺寸减小,晶化度降低,纳米硅(nc-Si)表面的张应力先增加后减小。红外吸收谱分析表明,氧掺入比增加导致薄膜内氧含量增高,富氧Si—O键合密度增加,富硅Si—O键合密度降低。同时,薄膜结构因子减小,有序度增大,薄膜微观结构得到改善。当氧掺入比大于0.08时,薄膜结构因子增大,有序度降低。此外,氧掺入增加导致薄膜带隙不断增加,带尾宽度呈现先减小后增大的趋势。因此,通过氧掺入可以调节纳米硅薄膜微观结构及能带特性,氧掺入比为0.08时,薄膜具有高晶化度和较宽的带隙,微观结构得到有效改善,可用作薄膜太阳能电池的本征层。     

高压下铁的电导率及X射线衍射研究

 用四点电极法及磁控溅射结合光刻集成电极的方法，测量了铁在25 GPa压力下的电阻随压力的变化；用微区X射线衍射仪原位测量了铁在25 GPa压力下晶胞参数随压力的变化关系。实验结果表明，铁在13.7 GPa时发生相变，由体心立方相转变为六方密堆相，在18.1 GPa时相变结束。利用高压下铁的电阻数据，结合X射线衍射结果，推导出铁的电导率随压力的变化关系。     

Defects in CaF2 caused by long-time irradiation and their response to annealing

Samples of CaF₂ irradiated for millions of years in nature were studied by several methods, including X-Ray diffraction, positron annihilation spectroscopy (PAS), photoluminescence spectroscopy (PLS) and transmission electron microscopy (TEM). It was found that the unexpectedly high density of radiation-induced defects present in the fluorite structure (documented by TEM) causes significant micro-strains. Even annealing up to 450°C cannot completely remove these micro-strains, which are stabilised by impurities. PAS and subsequent theoretical calculations revealed the behaviour of the defects during heating. The PL spectra of irradiated fluorite were also interpreted.     

Defects in nanocrystalline Nb films: Effect of sputtering temperature

Thin niobium (Nb) films (thickness 350-400 nm) were prepared on (1 0 0)Si substrate in a UHV chamber using the cathode beam sputtering. The sputtering temperature T_s was varied from 40 up to 500 °C and the influence of the sputtering temperature on the microstructure of thin Nb films was investigated. Defect studies of the thin Nb films sputtered at various temperatures were performed by slow positron implantation spectroscopy (SPIS) with measurement of the Doppler broadening of the annihilation line. SPIS was combined with transmission electron microscopy (TEM) and X-ray diffraction (XRD). We have found that the films sputtered at T_s = 40 °C exhibit elongated, column-like nanocrystalline grains. No significant increase of grain size with T_s (up to 500 °C) was observed by TEM. The thin Nb films sputtered at T_s = 40 °C contain a high density of defects. It is demonstrated by shortened positron diffusion length and a high value of the S parameter for Nb layer compared to the well-annealed (defect-free) bulk Nb reference sample. A drastic decrease of defect density was found in the films sputtered at T_s ≥ 300 °C. It is reflected by a significant increase of the positron diffusion length and a decrease of the S parameter for the Nb layer. The defect density in the Nb layer is, however, still substantially higher than in the well-annealed reference bulk Nb sample. Moreover, there is a layer at the interface between the Nb film and the substrate with very high density of defects comparable to that in the films sputtered at T_s < 300 °C. All the Nb films studied exhibit a strong (1 1 0) texture. The films sputtered at T_s < 300 °C are characterized by a compressive macroscopic in-plane stress due to lattice mismatch between the film and the substrate. Relaxation of the in-plane stress was observed in the films sputtered at T_s ≥ 300 °C. The width of the XRD profiles of the films sputtered at T_s ≥ 300 °C is significantly smaller compared to the films sputtered at lower temperatures. This is most probably due to a lower defect density which results in reduced microstrains in the films sputtered at higher temperatures.     

掺钇钨酸铅晶体发光性能和微观缺陷的研究

通过透射谱、X射线激发发射谱（XSL）的测试，研究了Bridgman法生长的掺钇钨酸铅晶体的发光性能，并利用正电子湮没寿命谱（PAT）和X光电子能谱（XPS）实验手段，对掺钇钨酸晶体的微观缺陷进行研究。实验表明，钇掺杂能够提高钨酸铅晶体的发光快成分比例，并使得晶体中的正电子俘获中心浓度下降，低价氧浓度下降。提出掺钇钨酸铅晶体中钇的掺杂主要以Y^3 占据VPb的形式存在。Y^3 占据VPb可能是钨酸铅晶体吸收边得到改善的原因，而由于晶体内低价氧浓度的减少，作为绿光发光中心的（WO3＋O^-)基团的减少可能会使发光快成分比例有所增加。     

正电子湮没谱和光致发光谱研究掺锌GaSb质子辐照缺陷

用正电子湮没谱和光致发光谱研究了质子辐照后掺锌GaSb中的缺陷.通过分析正电子的缺陷寿命τ₂及强度I₂的变化发现,在高能质子的辐照下产生了双空位缺陷V_GaV_Sb,可能同时产生了小的空位团.正电子平均寿命τ_av和S参数随着质子辐照剂量的变化也证明了这一结论.通过分析不同质子辐照剂量下掺锌GaS     

Effect of vacancy charge state on positron annihilation in silicon

The charge-state-dependent lattice relaxation of mono-vacancy in silicon is studied using the first-principles pseu- dopotential plane-wave method. We observe that the structural relaxation for the first-neighbor atoms of the mono-vacancy is strongly dependent on its charge state. The difference in total electron density between with and without charge states in mono-vacancy and its relevant change due to the localized positron are also examined by means of first-principles simu- lation, demonstrating the strong interplay between positron and electron. Our calculations reveal that the positron lifetime decreases with absolute charge value increasing.     

石墨和纳米碳中缺陷和电子动量的研究

用正电子湮没技术研究了石墨和纳米碳中的缺陷和电子动量. 结果表明, 纳米碳中缺陷的开空间和缺陷浓度分别大于和高于石墨晶体. 纳米碳中存在开空间小于单空位的自由体积以及开空间相当于约10个空位聚集体的微孔洞. 石墨晶体中的自由电子动量分布表现出显著的各向异性: 沿石墨晶体的\[0 001\]晶向的自由电子(即2Pz电子)的动量最大; 偏离该方向越大, 自由电子的动量越小; 垂直于\[0 001\]晶向的自由电子的动量最小. 而纳米碳中自由电子动量的分布表现出各向同性. The defects and electronic momenta in graphite and nanocrystalline carbon have been studied by positron annihilation techniques. The results show that the concentration and open volume of defects in nanocrystalline carbon are higher/larger than that in graphite. Two kinds of microdefects were found in the nanocrystalline carbon: free volume (with a size of smaller than that of a monovacancy) and microvoids (with a size of about ten monovacancies). The anisotropic distribution of electronic momentum was found in single crystalline graphite, the momentum of free electron shows a maximum value in \[0001\] direction, and decreases with the increase of the angle deviation from \[0001\] direction and then reaches a minimum value in the direction perpendicular to \[0001\]. However, this phenomenon was not found in nanocrystalline carbon since the distribution of electronic momentum is isotropic.     

Experimental and theoretical positron annihilation studies on bulk nickel silicides

Bulk nickel silicides (NiSi and NiSi₂) have been studied using the experimental positron lifetime and depth-resolved positron beam measurements. Ab-initio calculations of positron lifetime for the silicides have also been carried out using the atomic superposition method. For NiSi phase, it is found that the theoretically computed positron lifetime compares favourably with the experimentally deduced value indicating that NiSi is defect free. However, for NiSi₂, the experimental positron lifetime does not compare well with the theoretical value suggesting that NiSi₂ contains vacancy defects. This is further supported by the positron diffusion lengths deduced from the VEPFIT analysis of the positron beam results.     

Positron beam studies of cobalt silicides

Silicide formation in Co/Si thin structures synthesized using thermal evaporation, sputter deposition and ion implantation, has been investigated using depth-resolved positron annihilation spectroscopy (PAS) together with other corroborative experimental techniques. S vs. E_p curves and S-W correlation plots have revealed important processes such as defect annealing, interdiffusion, silicide formation and recrystallization of amorphous Si. These studies have shown that there exist differences in the formation temperature of the silicide phases, the sequence of silicide phase formation and defect generation owing to the nature of the deposition methods employed.     

Investigation of microstructure thermal evolution in nanocrystalline Cu

The microstructure of nanocrystalline Cu prepared by compacting nanoparticles (50-60 nm in diameter) under high pressures has been studied by means of positron lifetime spectroscopy and X-ray diffraction. These nanoparticles were produced by two different methods. We found that there are order regions interior to the grains and disorder regions at the grain boundaries with a wide distribution of interatomic distances. The mean grain sizes of the nanocrystalline Cu samples decrease after being annealed at 900 °C and increase during aging at 180 °C, which are observed by X-ray diffraction, revealing that the atoms exchange between the two regions. The positron lifetime results clearly indicate that the vacancy clusters formed in the annealing process are unstable and decomposed at the aging time below 6 hours. In addition, the partially oxidized surfaces of the nanoparticles hinder grain growth when the samples age at 180 °C, and the vacancy clusters inside the disorder regions, which are related to Cu₂O, need longer aging time to decompose. The disorder regions remain after the heat treatment in this work, in spite of the grain growth, which will be good for the samples keeping the properties of nanocrystalline material.