Positron lifetimes in quenched Al+0.09 at.−% Mn crystals

Measurements of positron lifetimes in quenched aluminum +0.09 at.?% Mn single crystals reveal the existence of a long-lived component whose lifetime and intensity increases and decreases with increasing temperature, respectively. The component is attributed to the annihilation of positrons at voids in the sample formed during quenching.     

Relationship between positron bulk lifetime and lattice constants-research on NaCl-type crystals

The positron lifetimes of some compounds with NaCl-type crystal structure are calculated with the method of atomic superposition approximation (ATSUP) based on the theories of local-density-approximation (LDA) and generalgradient-approximation (GGA).The systematical results are fitted to a curve as a function of lattice constants.The positron bulk lifetimes of some other compounds with NaCl-type crystal structure,which are deduced from the systematical results,are in agreement with the experimental results given in other literature.     

氘化对KH2PO4晶体微观缺陷影响的正电子湮没研究

采用传统降温法从不同程度氘化(x=0, 0.51, 0.85)的生长溶液中生长氘化KH₂PO₄(KDP) 晶体, 利用正电子湮没技术(正电子寿命谱和多普勒展宽谱)、结合X射线衍射谱(XRD) 结构分析, 对KDP晶体氘化生长的微观缺陷进行了研究, 讨论了氘化程度对晶体内部微观结构特性、缺陷类型和浓度的影响. XRD结果显示晶胞参数a, b值随氘含量的增加而增加, c值无明显变化; 正电子寿命谱结果发现随着氘化浓度的提高, KDP晶体内部中性填隙缺陷以及氧缺陷不断增加, 引起晶体晶格畸变; 氢空位、K空位、杂质替位缺陷不断发生缔合反应形成复合缺陷, 缺陷浓度不断减少; 团簇、微空洞等大尺寸缺陷也在不断发生聚合反应, 缺陷浓度表现为不断减少. 多普勒实验结果表明随着氘化程度的提升, 晶体内部各类缺陷表现为同步变化. 实验结果表明, KDP晶体在低浓度氘化生长(50%以内)下缺陷反应较弱, 而在高浓度氘化(50%以上)下的缺陷反应显著增强.     

Statistical approach to calculation of lifetime with respect to annihilation of a positron-anion system

The lifetimes with respect to annihilation of bound positron-anion systems are calculated in the framework of a statistical model of an atom with consideration of anion electrons. To find the positron wave function, a variational procedure with allowance for the explicit form of the potential that acts on the positron in the anion is used. Calculated lifetimes are compared with Hartree-Fock calculations for some halogen ions. Ways of comparing the results of the theory with experiment are noted.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 49–53, February, 1991.     

元素周期表中元素单晶基于局域密度理论的正电子寿命计算

在局域密度近似理论（LDA）的基础上用中性原子叠加模型和有限插分方法（SNA-FD）计算了元素周期表中各种元素单晶的正电子体寿命和单空位寿命.分析了不同结构的单晶中自由正电子的分布信息和湮没信息.元素单晶的正电子寿命计算值与文献中的实验测量值相符合,表明LDA基础上的SNA-FD方法可以作为单晶中正电子湮没理论计算的有效研究手段. 关键词： 局域密度近似理论 正电子寿命     

Vacancy-solute complexes in aluminum

Several vacancy-solute complexes in the Al matrix are examined theoretically. In particular, these are V-Cu, V-Cd, V-In, V-Sn, V-Si and V-Fe. We concentrate on coincidence Doppler broadening (high momentum) profiles and positron lifetimes that bring complementary information about these defects. Positron calculations are carried out utilizing the atomic superposition method employing realistic atomic configurations obtained using an ab initio pseudopotential method. In this study we inspect to what extent such defects are detectable and differentiable using positron annihilation techniques. The influence of lattice relaxations around defects on the positron properties turns out to be important and is also debated. The obtained results are discussed in connection with experimental data published in literature.     

The application of artificial neural networks to the inversion of the positron lifetime spectrum

A new method of processing positron annihilation lifetime spectra is proposed.It is based on an artificial neural network(ANN)-back propagation network(BPN).By using data from simulated positron lifetime spectra which are generated by a simulation program and tested by other analysis programs,the BPN can be trained to extract lifetime and intensity from a positron annihilation lifetime spectrum as an input.In principle,the method has the potential to unfold an unknown number of lifetimes and their intensities from a measured spectrum.So far,only a proof-of-principle type preliminary investigation was made by unfolding three or four discrete lifetimes.The present study aims to design the network.Besides,the performance of this method requires both the accurate design of the BPN structure and a long training time.In addition,the performance of the method in practical applications is dependent on the quality of the simulation model.However,the chances of satisfying the above criteria appear to be high.When appropriately developed,a trained network could be a very efficient alternative to the existing methods,with a very short identification time.We have used the artificial neural network codes to analyze data such as the positron lifetime spectra for single crystal materials and monocrystalline silicon.Some meaningful results are obtained.     

The effect of impurities on the lifetime of positrons in voids in molybdenum

Following the work of Thrane, Petersen and Evans which showed that positron lifetimes for voids in molybdenum were independent of void size, it seemed necessary to re-examine earlier results where larger positron lifetimes had been obtained during the annealing of specimens containing voids. This paper outlines the problem and presents the result of an experiment pointing strongly to impurity effects being responsible for the increased values of τ₂.     

Vacancy-solute complexes and their clusters in iron

In this contribution, several vacancy-solute complexes in iron are investigated theoretically from the viewpoint of positron annihilation. In particular, V-Si, V-P, V-Cr, V-Mn, V-Ni, V-Cu and V-Mo complexes are examined. In addition, nano-sized vacancy-Cu clusters in the Fe matrix are also studied. We concentrate on positron lifetimes and coincidence Doppler broadening profiles that bring complementary information about the studied complexes and their clusters. Positron calculations are carried out using the atomic superposition method employing realistic atomic configurations obtained recently using an ab initio pseudopotential method (vacancy-solute complexes) and Monte Carlo/molecular dynamics methods (vacancy-Cu clusters). The main aim of this study is to predict as to what extent such defects are detectable and differentiable using positron annihilation techniques. The results obtained are discussed in the context of experimental data available in the literature.     

Temperature dependence of positron annihilation characteristics on the surfaces of graphite powders

Positron lifetime measurements have been made on graphite powders, grafoils, and pyrolytic graphite crystals with different surface areas in the temperature range between 25° and 600 °C. Three positron lifetimes were found in these systems: a short-lived component (0.2 ns) due to positrons in the bulk; a component (0.45 ns) due to surface-trapped positrons; and a long-lived component (2 ns) ofo-Ps in the voids or the interfacial spaces of powders. Both bulk and surface positron lifetimes increase as a function of temperature. Correlations between the intensity of surface-trapped positrons and the surface area and between Ps formation and the surface area of graphite are found. The Ps formation probability increases as a function of temperature. A thermal desorption model interprets the emission process of Ps atoms from the surface of graphite to the vacuum and gives an activation energy of 0.23±0.02 eV.Preliminary results of this paper were presented at the March Meeting of American Physical Society, Los Angeles. Bull. Am. Phys. Soc.28, 347 (1983)     

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.     

Positron annihilation spectroscopic studies of Mn substitution-induced cubic to tetragonal transformation in ZnFe2–xMnxO4 (x = 0.0–2.0) spinel nanocrystallites

The replacement of cations at the B-sites in the spinel ferrite ZnFe₂O₄ by Mn³⁺ ions brings in several interesting changes, the most striking among them being a transformation from the spinel cubic structure to a body-centered tetragonal one. Concomitantly, there are variations in the nanocrystallite sizes and also in the lattice parameters. These are examined through high-precision X-ray diffraction measurements and transmission electron microscopic analysis. A more interesting aspect is the success of positron annihilation spectroscopy comprising of the measurements of positron lifetime and coincidence Doppler broadening measurements in understanding the effects of cation replacement and the resultant generation of vacancy-type defects. There are definite changes in the positron lifetimes and intensities which show positron trapping in trivacancy-type defect clusters and the nanocrystallite surfaces. The presence of ortho-positronium atoms within the extended intercrystallite region is also identified, although in small concentrations. The cubic to tetragonal transformation is indicated through definite decrease in the values of the positron lifetimes. We also performed a model analysis to predict the expected effect of substitution on the positron lifetime in the bulk of the sample and the experimentally obtained positron lifetimes significantly differed, indirectly hinting at the possibility of a structural transformation. Finally, Mössbauer spectroscopic studies have indicated a ferromagnetic nature for one of the samples, i.e. the one with Mn³⁺ doping concentration x = 0.4, which incidentally had the lowest crystallite size ~10 nm.     

Identification of the pressure-induced phase transition of ZnSe with the positron annihilation method

This paper studies the pressure-induced phase transition between zincblende (B3) and NaCl (B1) structure ZnSe by using the hydrostatic pressure first-principles pseudopotential plane wave method. The energy-volume and enthalpy-pressure curves are employed to estimate the transition pressure. It is found that ZnSe undergoes a first-order phase transition from the B3 structure to the B1 structure at approximately 15 GPa derived from the energy-volume relation and 14 GPa based on deduction from enthalpy-pressure data. The pressure-related positron bulk lifetimes of the two ZnSe structures are calculated with the atomic superposition approximation method. In comparison with the 13.4% reduction in volume of ZnSe at the transition pressure, the positron bulk lifetime decreases more significantly and the relative value declines up to 22.3%. The results show that positron annihilation is an effective technique to identify and characterize the first-order phase transition and can give valuable information about changes in micro-scale, such as volume shrinkage and compressibility.     

Design of a new type positron beam system

A new type positron beam system is being constructed in Wuhan university. The goal of this project is to build a positron beam which can measure positron lifetimes and has high moderation efficiency. The system utilizes a magnetically guided incident positron beam and the sample is biased to a high negative potential to achieve the desired implantation energies. A conventional tungsten moderator is replaced by a solid Ne moderator with high moderation efficiency (about 1%). A multi-functional target chamber for slow beam studies is designed, which can be used for positron annihilation lifetime spectroscopy (PALS), Doppler broadening (DB) and coincidence Doppler broadening (CDB) measurements.     

Positron lifetimes and annihilation lineshape in Cd and au from 4.2 K to the melting points

By means of an integrated source-specimen technique the temperature dependence of positron lifetimes and annihilation lineshapes has been measured, on the same specimens of gold and cadmium from 4.2K to the melting points, and also in electronirradiated and quenched gold. The anomalous temperature dependence of positron annihilation at intermediate temperatures (200 to 350 K in Cd, 270 to 750 K in Au) discovered by Lichtenberger, Schulte, and MacKenzie is confirmed. The data are incompatible with the idea that the intermediate temperature dependence is due to thermal expansion. They are well explained by an extension of the trapping model which includes the formation of metastable self-trapped positrons. From lineshape measurements after electron irradiation at 180 K and after quenching it is deduced that the trapping rate of positrons at vacancy-type defects in Au is temperature independent below room temperature.     

Minority carrier recombination lifetimes in n-type CdMgSe mixed crystals measured by means of the photothermal infrared radiometry

Minority recombination lifetimes of n-type CdMgSe mixed crystals were estimated by using infrared photothermal radiometry (PTR) amplitude and phase frequency spectra. The results obtained by the PTR method indicate that the lifetimes of optically generated carriers in CdSe and Cd_xMg_1?xSe crystals are about 0.1 μs. The diffusion length of minority carrier in n-type CdSe single crystal was found to be 4.42 μm and it is in a good agreement with the literature value. It was found that with the increasing thermal-to-plasma component coefficient A the carrier concentration increases as expected from PTR theory.     

Amorphous hydrogenated silicon studied by positron lifetime spectroscopy

Hydrogenated amorphous silicon (a-Si:H) prepared by dc glow discharge in silane was investigated by positron lifetime measurements at room temperature. The lifetime spectrum shows considerably longer lifetimes than in simultaneously measured Si single crystals. The dominant component with the time constant ₂=402 ps is discussed thoroughly in conjunction with positron trapping at microvoids containing more than 10 to 15 vacancies. Positron trapping at H-saturated dangling bonds cannot be ruled out. The long-lived component with ₃=1800 ps (I ₃=0.06) indicates positronium formation at larger voids.     

Characterization of fullerenes using positrons

Positron distributions and lifetimes in the K_xC₆₀ crystals for x=0, 3, 4, 6 have been calculated using the superposed-atom model and the numerical relaxation technique. It is revealed that positrons are distributed predominantly at the octahedral interstices in the fcc lattice of pure C₆₀. The distributions and lifetimes of positrons are significantly changed by potassium doping. In the fcc K₃C₆₀, the positron density shows its maxima in the interstitial region between the octahedral and tetrahedral interstices and has some amplitude in the inner space of the C₆₀ molecules. In contrast to this, positrons are distributed one-dimensionally along the [001] direction in the bct K₄C₆₀ while positrons are nearly localized into the C₆₀ molecules in the bcc K₆C₆₀.     

Radionuclide emitters for high-temperature measurements on metals using positron annihilation

The fabrication of⁶⁸Ge and⁴⁴Ti positron sources which can withstand temperatures up to 1000°C is described. The sources are designed for use in the measurement of thermally-generated vacancy concentrations by the positron trapping technique. Measurements of positron lifetimes and Doppler-broadened annihilation photon lineshapes indicate that if suitable corrections are made the contribution of source matrix annihilations to experimental data can be reduced to less than 0.5% of the total annihilation events.