Positron surface states bound by the Newns-Barton potential

The binding energies and eigenfunctions of the surface states of positrons outside materials with negative positron affinity are considered. When the material is represented by a continuum hydrodynamic model with finite dispersion the potential takes the Newns-Barton form. The characteristic material parameter is B = ω_p/β where ω_p is the bulk plasma frequency and $\text{β ? √}\text{3}\text{5}\text{x}$ the Fermi velocity. For aluminium B ? 0.6a^?1 (a is the Bohr radius) and the Newns-Barton potential yields a ground state binding energy E⁽¹⁾ ? 0.46 ev - considerably smaller than the binding energy of the pure image (or non dispersive) potential for which E⁽¹⁾ ? 0.85 ev.     

分子XH(X=O,S, Se和 Te)中的正电子能级与正电子原子

基于全对称群的Dirac方程, 研究当存在核场时的正电子能级及其与核场的关系, 即计算在分子OH, SH, SeH和 TeH的核场下的正电子能级. 这时正电子的能量约为 e⁺=-1.022 MeV. 对于低能级, 当核场强增大时, 其能量有所升高, 而对较高能级, 核场强增大时, 其能量无明显变化. 正负电子的湮没过程为三光子湮没过程(the three-photon annihilation). 而当生成e⁺- e^-< 关键词： Dirac方程 三光子湮没过程 正态的正电子原子 电荷宇称守衡     

Positron scattering from hydrocarbons

The total cross sections for positron impact on hydrocarbons have been calculated using the additivity rule in which the total cross section for a molecule is the sum of the total cross section for the constituent atoms. The energy range considered is from a few eV to several thousand eV. The total cross sections for positron impact on an atom are calculated by employing a complex spherical potential which comprises of a static, polarization and an absorption potential. We have good agreement with the experimental results for hydrocarbons for positron energy ⩾100 eV. Our results also agree with the available calculations for CH₄ and C₂H₂ which employed full molecular wavefunctions beyond 100 eV. Our absorption cross sections also agree with molecular wave-function calculations for C₂H₂ and CH₄ beyond 100 eV. We have shown the Bethe plots fore ⁺−C ande ⁺−H scattering systems and Bethe parameters have been extracted. We have fitted the cross section for positron impact on hydrocarbons in the formσ _t(C _n H _m )=naE ⁻ b+mcE ⁻ d in the energy range 300–5000 eV wherea=195.0543,b=0.7986,c=371.1757 andd=1.1379 withE in eV andσ _t in 10⁻¹⁶ cm².     

Correlations between electron and positron workfunctions on copper surfaces

We have performed contact potential difference measurements on low-index faces of copper in ultrahigh vacuum using positrons as positive test particles in a retarding field analyzer. For negative positron affinity surfaces bombarded with keV positrons we also measured energy distributions of reemitted slow positrons and found them to sharply peaked in energy about a value which we label ?φ⁺. Both adsorbing sulfur on a Cu(111) sample and raising its temperature cause changes in φ⁺ which are equal and opposite to the contact potential change of the sample, i.e. the electron workfunction change. This result is in complete accordance with φ⁺ being a measure of the negative positron workfunction of the sample and high temperature or adsorbates inducing a change only in the electrostatic surface dipole layer.     

Helium/hydrogen synergistic effect in reduced activation ferritic/martensitic steel investigated by slow positron beam

Here, we investigated the irradiation defect in reduced activation ferritic/martensitic steels by slow positron beam. Three ion-irradiation experiments were carried out: (i) He²⁺ irradiation, (ii) H⁺ irradiation and (iii) He²⁺ irradiation followed by H⁺ irradiation, at temperature 450?°C. The presences of vacancy defects, represented by ?S_He+H parameter, induced by sequential irradiations was larger than the sum of defects, ?S_He parameter + ?S_H parameter, caused by single He ions and single H ions. The synergistic effect of He and H was confirmed clearly from the perspective of positron annihilation spectroscopy.     

Divacancy complexes induced by Cu diffusion in Zn-doped GaAs

Positron annihilation spectroscopy was applied to investigate the nature and thermal behavior of defects induced by Cu diffusion in Zn-doped p-type GaAs crystals. Cu atoms were intentionally introduced in the GaAs lattice through thermally activated diffusion from a thin Cu capping layer at 1100 °C under defined arsenic vapor pressure. During isochronal annealing of the obtained Cu-diffused GaAs in the temperature range of 450?850 K, vacancy clusters were found to form, grow and finally disappear. We found that annealing at 650 K triggers the formation of divacancies, whereas further increasing in the annealing temperature up to 750 K leads to the formation of divacancy-copper complexes. The observations suggest that the formation of these vacancy-like defects in GaAs is related to the out-diffusion of Cu. Two kinds of acceptors are detected with a concentration of about 10¹⁶ ? 10¹⁷ cm^?3, negative ions and arsenic vacancy copper complexes. Transmission electron microscopy showed the presence of voids and Cu precipitates which are not observed by positron measurements. The positron binding energy to shallow traps is estimated using the positron trapping model. Coincidence Doppler broadening spectroscopy showed the presence of Cu in the immediate vicinity of the detected vacancies. Theoretical calculations suggested that the detected defect is V _Ga V _As-2Cu_Ga.     

Toward the theory of electron and positron states in dielectric clusters

Analytical expressions for the binding energy of electrons and positrons in dielectric clusters, analyzed in this work, neglect the elastic effects. Therefore, we present the density-functional theory for neutral liquid clusters that experience the spontaneous deformation. Using the 1/R-expansion, R being the cluster radius, the exact analytical expressions for the size corrections to the chemical potential, surface tension, and atomic density are derived from the condition of mechanical equilibrium. The problem of calculating these corrections is reduced to calculating the quantities for a liquid with a flat surface. The size compression and tension of density occur in the 1/R and 1/R ² orders respectively. The sizes of charged rigid and elastic critical clusters, for which the electron or positron binding energy is close to zero, are calculated for Xe _N ^? , Kr _N ^? , Ar _N ^? , Ne _N ⁺ , He _N ⁺ . The calculations show significant contribution of self-compression to the binding energy of the excess electron in contrast to the positron.     

Positron trapping and self-diffusion activation energies in chromium

The activation energy for self-diffusion in chromium is found to be 3.51±0.13 eV from positron trapping measurements. The 4.51 eV activation energy seen in tracer diffusion work is therefore ascribed to divacancies, theQ ₂/Q ₁ ratio being typical of the bcc refractory group. The positron data give 0.55 for the ratioH _1v ^M /H _1v ^F of vacancy migration and formation energies, in agreement with quenching data for tungsten.     

Chemical pumping of the far infrared HCN laser

This paper reports the observation of 337 μm and 311 μm stimulated emission from HCN in which the (11¹0)?(04⁰0) inversion has been established by photopumping of HCN and by chemical pumping with reactions between CN and H₂ or saturated hydrogen-rich organic compounds. Similarities in output pulse behavior between the discharge and chemical versions of the HCN laser are suggestive that the pumping mechanism in the discharge is the chemical reaction, CN + H₂ → HCN² + H. The well-known inefficiency of this laser is then due to the fact that the reaction is a slow one and its exothermicity does not match the energy of the upper lasing level, but depends for inversion on (randomizing) relaxation into (11¹0) among others. Substantial improvements in the power of the HCN laser cannot be made from this route.     

Positron annihilation in electron-irradiated n-type gap crystals

Abstract

The defects in n-GaP crystals irradiated by 2.3 MeV electrons up to 1 × 10¹⁹ cm^?2 at RT were studied by means of positron annihilation (angular correlation) and electrical property measurements. It was found that positrons are trapped in some radiation-induced vacancy-type defects (acceptors) but that the effect saturates at high electron fluences (D1 × 10¹⁸ cm^?2). The trapping rate in irradiated samples increases with temperature in the range 77–300 K. Post-irradiation isochronal annealing reveals the positron traps clustering at about 200–280°C. All positron sensitive radiation-induced defects disappear upon annealing up to 500°C.     

高次激发相关能在构建HCN-He亚光谱精度势能面中的角色:通过实验高分辨率光谱进行严格检测

Interpreting high-resolution rovibrational spectra of weakly bound complexes commonly requires spectroscopic accuracy (<1 cm^-1) potential energy surfaces (PES). Constructing high-accuracy ab initio PES relies on the high-level electronic structure approaches and the accurate physical models to represent the potentials. The coupled cluster approaches including single and double excitations with a perturbational estimate of triple excitations (CCSD(T)) have been termed the "gold standard" of electronic structure theory, and widely used in generating intermolecular interaction energies for most van der Waals complexes. However, for HCN-He complex, the observed millimeter-wave spectroscopy with high-excited resonance states has not been assigned and interpreted even on the ab initio PES computed at CCSD(T) level of theory with the complete basis set (CBS) limit. In this work, an effective three-dimensional ab initio PES for HCN-He, which explicitly incorporates dependence on the Q₁ (C-H) normal-mode coordinate of the HCN monomer has been calculated at the CCSD(T)/CBS level. The post-CCSD(T) interaction energy has been examined and included in our PES. Analytic two-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies for v₁(C-H)=0, and 1 to the Morse/Long-Range potential function form with root-mean-square deviations (RMSD) smaller than 0.011 cm^-1. The role and significance of the post-CCSD(T) interaction energy contribution are clearly illustrated by comparison with the predicted rovibrational energy levels. With or without post-CCSD(T) corrections, the value of dissociation limit (D₀) is 8.919 or 9.403 cm^-1, respectively. The predicted millimeter-wave transitions and intensities from the PES with post-CCSD(T) excitation corrections are in good agreement with the available experimental data with RMS discrepancy of 0.072 cm^-1. Moreover, the infrared spectrum for HCN-He complex is predicted for the first time. These results will serve as a good starting point and provide reliable guidance for future infrared studies of HCN doped in (He)_n clusters.     

Weakly interacting molecular clusters of CO with H2O,SO2, and NO+

Intermolecular interactions in three dimers, CO···H₂O, CO···SO₂, and CO···NO⁺, were studied at the CCSD(T) level of theory, using a series of the augmented correlation consistent polarised basis sets. Interaction energy and its components as well as vibrational spectra for local minima were computed using both harmonic and anharmonic approximations. While CO···H₂O and CO···SO₂ are weakly bound with the binding energies ?7.4 and ?6.4 kJ/mol, CO···NO⁺ is much more stable with the binding energy of ?32.8 kJ/mol corresponding to ΔG = ?4.7 kJ/mol at 254 K.     

Electron and positron work functions of Cr(100)

We report measurements of the electron and positron work functions of submonolayer contaminated single crystal surfaces of Cr(100) in ultra high vacuum. The positron work function ø₊ is obtained by measuring the spectrum of slow positrons reemitted by the Cr(100) surface when it is bombarded with keV energy positrons. The electron work function ø_- is measured relative to Al(100) by comparing the target biases at which the slowest emitted positrons are recollected by the target. We obtain ø₊ = ?1.76(10) eV and ø_- = 4.46(6) eV for our Cr(100) surface using the value ø_- = 4.41(3) eV for Al(100) reported by Grepstad, Gartland and Slagsvold. The ø₊ value is in agreement with the ?2.2 eV calculated by Nieminen and Hodges. The positronium work function for Cr implied by these results is ?4.10(10) eV; the positronium negative ion (Ps^-) work function for this surface is calculated to be + 0.37(7) eV. A search for Ps^- showed that at a 90% confidence level less than one in 10³ thermalized positrons reaching the Cr surface are emitted as Ps^-. The slow positron emission spectrum was observed not to change over the 70–300 K range in contrast to recent theoretical predictions.     

Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCN

Dipole moment functions, both perpendicular and parallel to the molecular axis, are calculated from the SCF and MRD-CI results of a previous study for the normal ν₂ bending vibrations of HCN and DCN. Vibrationally averaged dipole moments and the infrared transition matrix elements are then obtained from the dipole moment functions and vibrational wave functions. MRD-CI results, with known experimental values in parentheses, for HCN are 〈0|μ|0〉 = ?2.954(?2.985) D, 〈1|μ|1〉 = ?2.915(±2.942) D, 〈0|μ|1〉 = 0.148(0.147) D, 〈0|μ|2〉 = ?0.027 D, 〈1|μ|2〉 = 0.210 D. Calculated absolute intensities at 1 atm and 0°C for the (02⁰0) ← (000), (02⁰0) ← (010), and (02²0) ← (010) bands of HCN are 25 (40 ± 10 as estimated from spectra), 8.5, and 17.0 atm^?1 cm^?2, respectively. Results for DCN are also reported.     

Positron studies of hydrogen-defect interactions in proton irradiated molybdenum

Molybdenum single crystals are irradiated at 20 K with 6 MeV protons. The radiation damage and lattice defect annealing is studied by positron lifetime spectroscopy in the temperature range from 15 to 720 K. Loss of vacancies due to recombination with mobile interstitials is observed at 40 K (Stage I) in agreement with resistivity measurements. This is the first time Stage I is observed by positrons below 77 K. The implanted hydrogen decorates the vacancies around 100 K, which is consistent with a hydrogen migration energy in molybdenum:E _M ^H = 0.3–0.4 eV. Clustering of spatially correlated vacancies takes place in a wide temperature region below the usual vacancy clustering stage (Stage III). Stage III is observed at rather low temperatures (400–480 K) due to the very high vacancy concentration. Hydrogen bound to vacancies and vacancy clusters is released above 540 K, which puts an upper limit to the hydrogen binding energy:E _B ^H 1.4 eV. The present work emphasizes the advantage of employing a vacancy sensitive technique to study hydrogen in metals, where its intrinsic solubility is low. In such metals (as molybdenum) both the effective solubility and the effective mobility of hydrogen are strongly influenced by the presence of vacancies.     

Formation of the 255-keV annihilation line near the magnetic poles of pulsars

The possibility of existance is discussed for pulsars emitting soft γ radiation near their magnetic poles upon the annihilation of ultrarelativistic positrons from the magnetosphere and electrons from the surface of a star. With an increase in the energy of incident positrons, the photon energy of this backward radiation tends to a constant value m _e c ²/2=255 keV. This radiation is shown to be directed opposite to the positron flux direction.

     

Improved slow-positron yield using a single crystal tungsten moderator

A well-annealed W(110) single crystal was used as a fast-to-slow positron moderator. The measured moderator efficiency at room temperature using a⁵⁸Co positron source in the backscattering geometry is =(3.2±0.4)×10^–3, roughly a factor of three better than for the best previously reported Cu(111)+S moderator. We find a stable positron moderation efficiency over a period of several weeks when maintained at pressures around 10^–9 Torr and an energy spreadE = 0.7 eV of the emitted slow positrons. An initial attempt was made to fabricate a hybrid Cu on W(110) moderator, which yielded of about 1.2×10^–3 after annealing.     

Registration of hydrogen-like leptonic bound states ( e-μ+) and ( e+μ-) in reactions of high-energy scattering of polarized electrons and positrons by nuclei with Z ～ 100 and analysis of CPT invariance

The cross-sections for the reactions of muonium (anti-muonium) production in the high-energy electron (positron) scattering by nuclei e ^-(e ⁺) + Z↦Z + M ⁰(ˉM) + μ^-(μ⁺) are calculated in dependence on energy and polarization of the initial electron (positron) and polarization of the final μ^-(μ⁺)-meson. Since this is a coherent phenomenon the cross-sections are proportional to Z². For Z ∼ 100, due to the factor Z², the cross-sections are large enough to be measured at the energies available for the HERA Collider at DESY. The results are discussed in connection with a test of CPT invariance. Received: 24 September 2002 / Accepted: 12 March 2003 / Published online: 27 May 2003