H,He,Kr杂质在过渡金属和贵金属中的行为

本文以胶体模型为基础,利用密度泛函理论,局域密度近似研究了H,He和Kr在过渡金属Ni,Fe,Cr和贵金属Cu中的空位团复合体的电子结构、正电子湮没寿命。结果表明:随着复合体尺寸的增加,杂质的束缚态电子能级变浅,散射态电子在复合体内的平均密度变小,正电子在复合体内的几率增大,正电子湮没寿命增加。 关键词：     

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     

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.     

掺杂金刚石薄膜的缺陷研究

利用多普勒增宽谱和电子顺磁共振研究了掺硼和掺硫金刚石薄膜的缺陷状态.多普勒增宽谱的结果表明，不同杂质元素掺杂的金刚石薄膜，其中使正电子湮没的缺陷种类是相同的；正电子与不同杂质元素硼、硫之间的相互作用不明显；少量硼可使金刚石膜中的空位浓度减少.EPR结果表明，各掺杂样品的顺磁信号主要来自于金刚石的碳悬键. 关键词： 金刚石 掺杂 多普勒增宽谱 电子顺磁共振     

正电子湮没谱学研究半导体材料微观结构的应用进展

<正>电子湮没谱学技术在研究材料微观缺陷、微观结构方面有着独特的优势,尤其是在针对阳离子空位等负电性空位型缺陷的研究中,可以获取材料内部微观缺陷的种类与分布的关键信息.正电子湮没寿命和多普勒展宽能谱是正电子湮没谱学的最基本的分析方法,在半导体材料的空位形成、演化机理以及分布等研究方面能够发挥独特的作用;此外,慢正电子束流技术在半导体薄膜材料的表面和多层膜材料的界面的微观结构和缺陷的深度分布的研究中有广泛的应用.通过正电子技术所得到的微观结构和缺陷、电子密度和动量分布等信息对研究半导体微观结构、优化半导体材料的工艺和性能等方面有着指导作用.本文综述了正电子湮没谱学技术在半导体材料方面的应用研究进展,主要围绕正电子研究平台在半导体材料微观缺陷研究中对材料的制备工艺、热处理、离子注入和辐照情况下,各种缺陷的微观结构的表征及其演化行为的研究成果展开论述.     

Doppler程序对金红石型TiO2的空位缺陷研究

金红石型TiO2是一种非常好的稀磁半导体材料,其自身的本征缺陷与室温铁磁性起源密切相关。本文利用Doppler程序在广义梯度理论（GGA）的基础上,计算了正电子在金红石型TiO2块材中不同缺陷处的湮没寿命。主要包括自由态正电子的湮没寿命,单空位和双空位处束缚态正电子的湮没寿命。并从理论上给出了含有空位缺陷时金红石型TiO2的符合多普勒展宽能谱。     

Doppler程序对金红石型TiO_2的空位缺陷研究

金红石型Ti O2是一种非常好的稀磁半导体材料,其自身的本征缺陷与室温铁磁性起源密切相关.本文利用Doppler程序在广义梯度理论(GGA)的基础上,计算了正电子在金红石型Ti O2块材中不同缺陷处的湮没寿命.主要包括自由态正电子的湮没寿命,单空位和双空位处束缚态正电子的湮没寿命.并从理论上给出了含有空位缺陷时金红石型Ti O2的符合多普勒展宽能谱.     

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.     

慢正电子束流技术在金属/合金微观缺陷研究中的应用

正电子湮没谱学技术是研究材料微观结构非常有效的一种核谱学分析方法, 主要用于获取材料内部微观结构的分布信息, 特别是微观缺陷结构及其特性等传统表征方法难以获取的微观结构信息. 近年来, 在慢正电子束流技术快速发展的基础上, 正电子湮没谱学技术在薄膜材料表面和界面微观结构的研究中得到了广泛应用. 特别是该技术对空位型缺陷的高灵敏表征能力, 使其在金属/合金材料表面微观缺陷的形成机理、缺陷结构特性及其演化行为等研究方面具有独特的优势. 针对材料内部微观缺陷的形成、演化机理以及缺陷特性的研究, 如缺陷的微观结构、化学环境、电子密度和动量分布等, 正电子湮没谱学测量方法和表征分析技术已经发展成熟. 而能量连续可调的低能正电子束流, 进一步实现了薄膜材料表面微观结构深度分布信息的实验表征. 本文综述了慢正电子束流技术应用研究的最新进展, 主要围绕北京慢正电子束流装置在金属/合金材料微观缺陷的研究中对微观缺陷特性的表征和表面微观缺陷演化行为的应用研究成果展开论述.     

化合物半导体材料的正电子寿命计算

在局域密度理论（LDA）和广义梯度理论（GGA）的基础上计算了ZnO,GaN,GaAs,SiC和InP五种化合物半导体材料中的正电子湮没信息,包括化合物半导体材料中的自由态正电子的湮没寿命;还有不同类型空位（单空位,双空位）附近俘获的束缚态正电子密度分布和湮没率分布,以及束缚态正电子的湮没寿命. 关键词： 半导体 正电子寿命     

Effective concentration of electrons in metals upon measurements via positron annihilation spectroscopy

Calculations are performed together with the summarization of published data on the measurement of positron annihilation rates in a number of simple substances. The information potential of different methods underlying positron annihilation spectroscopy is analyzed as applied to the study of condensed matter. The features of the mechanism of positron annihilation in metals are discussed. The possibility of investigating the electronic and defect structures of metals and alloys using the method of the time distribution of annihilation photons is considered.     

Computational studies of the effect of hydrogen on the thermalized positron state in amorphous silicon

The two-component density functional theory is applied to the study of the thermalized positron state in simulated structures of hydrogenated amorphous silicon. Results show that positron properties in bulk and ad hoc defect structures are sensitive to the defect free-volume. Using the normalized positron density, it is determined that the thermalized positron state is weakly localized at hydrogen-decorated vacancy-like complexes, and not at microscopic open volume defects. These defect complexes form as clusters of hydrogen-passivated dangling bonds. It is also found that hydrogen enhances the delocalization of positron density in the simulated structures. The relevance of the present results to the interpretation of actual positron lifetime spectroscopy in real materials is discussed.     

Pseudo-potential caculations of positron annihilation rates in bubbles of helium contained in the metals Mg,Ag and Au

Abstract

A pseudo-potential technique has been applied to calculate the annihilation rates for positrons in bubbles of helium gas in gold and silver. The positron pseudo-wavefunction in each case was found to be in a surface state of the metal, the exact form of which displayed a slight dependance on the density of the helium gas. The annihilation rate of the positron was the sum of a nearly constant surface rate and a strongly density dependant annihilation rate with the helium electrons. There is a trend for annihilation with the helium to be greater in metals with low free electron densities, the helium in such metals resting closer to the metal surface thus increasing the overlap of the positron wavefunction with the helium.     

Properties of positron annihilation in metals

Positron annihilation in bulk metals has been studied by examining the angular distribution of the annihilation photons in polycrystalline samples of magnesium, aluminum, copper, zinc, indium, tin, lead, and bismuth. It has been shown that conduction electrons as well as core electrons take part in this process. The conduction electron densities and Fermi energies have been determined. It is found that the electron density in the vicinity of a positron is significantly higher than the density of the free electron gas. We believe that this is due to the formation of Wheeler complexes and we estimate its charge. We have analyzed various means of measuring the conduction electron density and conclude that the positron method gives the most reliable information. Fiz. Tverd. Tela (St. Petersburg) 41, 929–934 (June 1999)     

Positron Energy Levels in Cd-Based Semiconductors

Using the full potential linearized augmented plane wave FP-LAPW method within local density ap-proximation LDA, we have studied positron diffusion and surface emission in Cd-based semiconductors. This requires the calculation of electron and positron band structures. In the absence of experimental and theoretical data for CdX (X=S,Se,Te) we have treated the Si, which has been studied by several authors, as a test case. Predictive results on positron effective masses, deformation potentials, positron work functions, diffusion constants and positron mobilities are presented for CdX (X=S, Se, Te). Our calculated data for Si are compared with experimental and recent theoretical results.     

Electrical properties of MOS structures on nitrogen-doped Czochralski-grown silicon: A positron annihilation study

Measurements of interface trap density, effective generation lifetime (GL) and effective surface generation velocity have been performed using different methods on selected MOS structures prepared on nitrogen-doped Czochralski-grown (NCz) silicon. The application of the positron annihilation technique using a pulsed low energy positron system (PLEPS) focused on the detection of nitrogen-related defects in NCz silicon in the near surface region. In the case of p-type Cz silicon, all the results could be used for the testing of homogeneity. In n-type Cz silicon, positron annihilation was found insensitive to nitrogen doping.     

Motion of positrons in metals

In this review we discuss the different aspects of positron annihilation in metals that involve the dynamics of positron motion before annihilation. The emphasis is on the theory, but also some experimental evidence is quoted. The topics covered are: slowing down and thermalization, effective mass, temperature dependence of positron vacancy trapping, positron channeling, and escape of low energy positrons from metal surfaces.     

Systematics of the rare-gas core contributions to the positron annihilation spectra of some simple and transition metals

Taking into account the core electron enhancement factor the rare-gas core contribution to the angular correlation positron annihilation spectra and to the total annihilation rate in some simple and transition metals are calculated. It is shown that the valence high-momentum part of the Gaussian fraction is not negligible in simple metals. In 3d and 4d metals, the rare-gas core part of the total annihilation rate amounts from 9 to 37%. The results are expected to help in the correct interpretation of the positron annihilation data.     

Positron trapping at dislocations in metals

The trapping rate of positrons at dislocations in metals, and its temperature dependence, are calculated. Two different trapping processes, with the excess energy absorbed in either electron-hole pair formation or by phonon creation, are considered and the former is found to be the most important. An extension of the theory to include depletion of the positron density around the dislocations in a diffusion approximation is included. The trapping is found to be transition limited if the temperature is low or the trap potential shallow. At room temperature diffusion is important for deep traps.