The trapping of K and Na atoms by a clean W(110) surface trajectory calculations

The fraction of K and Na atoms initially trapped by the W(110) surface has been measured as a function of the incident energy (0.5–15 eV) and as a function of the incident angle. The trapping probability equals one at low incident energies (E_i ? 0.5 eV) and decreases with increasing energy. The measurements show an increase of trapping with increasing angle of incidence θ_i (measured from the surface normal). Simultaneously the desorption energies Q_i were determined from the temperature dependence of the measured mean residence time on the W(110) surface. We obtained for K: Q_i = 2.05 ± 0.02 eV, and for Na: Q_i = 2.60 ± 0.04 eV.The trapping phenomenon at a solid surface was approximated in a theoretical way by calculating the in-plane trajectory of a projectile scattered from a diatomic surface-molecule. The important feature which showed up was the conversion of tangential to normal momentum of the projectile, and thus the inapplicability of cube models. As a function of the angle of incidence two regimes can be distinguished: at the smaller angles the scattering is governed by simultaneous interaction of the projectile with two neighbouring surface atoms, and at the higher angles of incidence the single particle interaction contributes most to the momentum transfer.     

The scattering of ions from a clean solid surface in the 1 to 10 eV range

We have proposed a surface model which consists of partially screened spherical caps oscillating in a direction normal to the undisturbed surface to correlate measurements of the trapping probability of sodium and potassium ions on clean (110) tungsten surfaces at energies of 1 to 15 eV and incidence of 10° to 70° from the normal to the surface. The trapping probability may be represented as a relatively simple function of angle, mass ratio, surface temperature and beam energy to ionization potential ratio, with good agreement with experimental data. The model depends on some assumptions about elevation and azimuthal screening of lattice sites which cannot fully be justified from first principles. Further analysis of the data, particularly with respect to scattered particle distribution and additional data for the scattering of lithium and cesium might help refine those assumptions.     

低能氢粒子沿不同角度轰击钨(001)表面的反射概率及入射深度分布的分子动力学研究

采用分子动力学方法对低能(0.5–50.0 eV)氢粒子 与钨表面的相互作用进行了模拟研究.研究发现, 当氢粒子垂直入射, 能量为0.5–20.0 eV时, 粒子滞留在钨内部的概率急速增加, 在整个模拟能量区间内, 发生反射过程的概率逐渐减少, 但反射过程始终占主导. 改变粒子的入射角度, 在某些能量范围内滞留概率虽有所增加, 但氢原子被反射现象仍然占主导. 通过进一步观察低能氢粒子在钨块内的入射深度和能量变化, 计算出其在钨块中的能量沉积分布. 这些结果对理解聚变反应中 钨材料的选用优势以及氢或氢同位素滞留有重大意义. 此外, 在所研究的能量范围内, 分子动力学方法的模拟结果与以二体理论为基础的TRIM程序的模拟结果之间有明显差异, 说明传统的二体碰撞理论不能很好地描述低能碰撞问题. 关键词： 面向等离子体材料 分子动力学方法 钨 氢     

��ԭ���ڵ�һ�ڲ��������ɢ����Ϊ�ķ��Ӷ���ѧģ��

The scattering behaviour of H atoms on Be surface by molecular dynamics simulations was reported in this paper. When the incident energy increases from 1 to 9eV, the outcome shows the H atoms scattering rate decrease with incident energy increasing, and increase with incident angle increasing. When incident energy is 1eV, all of incident H atoms scatter above the Be surface. When incident energy are 5 and 9eV, 14.7% and 35.8% of H atoms inject into the Be sample and then scatter, respectively, and incident depths increase with energy increasing. Scattering density and energy as function of scattering angle were also discussed.     

分子动力学模拟粒子在表面上的俘获过程

采用分子动力学方法研究了粒子在金属衬底上的俘获过程。发现粒子垂直入射时,俘获概率随入射能量的增加而减小,而45°入射时,俘获概率表现出非单调行为,这些结果与实验观察相一致。同时还研究了俘获概率对入射角的依赖。     

Point-defect properties of,and sputtering events in,the {001} surfaces of Ni3Al. II. Sputtering events at and near surfaces

Atomic recoil events at and near {001} surfaces of Ni₃Al due to elastic collisions between electrons and atoms have been simulated by molecular dynamics to obtain the sputtering threshold energy as a function of atomic species, recoil direction and atomic layer of the primary recoil atom. The minimum sputtering energy occurs for adatoms and is 3.5 and 4.5?eV for Al and Ni adatoms on the Ni–Al surface (denoted ‘M’), respectively, and 4.5?eV for both species on the pure Ni surface (denoted ‘N’). For atoms within the surface plane, the minimum sputtering energy is 6.0?eV for Al and Ni atoms in the M plane and for Ni atoms in the N surface. The sputtering threshold energy increases with increasing angle, θ, between the recoil direction and surface normal, and is almost independent of azimuthal angle, ?, if θ<60°; it varies strongly with ? when θ>60°, with a maximum at ??=?45° due to ?{110}? close-packed atomic chains in the surface. The sputtering threshold energy increases significantly for subsurface recoils, except for those that generate efficient energy transfer to a surface atom by a replacement collision sequence. The implications of the results for the prediction of the mass loss due to sputtering during microanalysis in a FEG STEM are discussed.     

Possible excitation of a fast sodium beam by laser irradiation

We present results of model calculations concerning the fraction of excited atoms obtained by laser irradiation of a fast sodium atom beam (100–400 eV kinetic energy). We calculated relative absorption probabilities as a function of the intersection angle between the two beams, the atom-beam energy, the atom-beam energy spread and the atom-beam divergence. The fraction of excited atoms that can be obtained at 300 eV is at least a factor of 5 smaller than in the case of a thermal beam, due to the divergence and energy spread of the fast atom beam giving rise to a large Doppler broadening.     

Simulation of the removal of a lead film from graphene by the irradiation of a target with a beam of xenon clusters

The removal of a lead film from graphene by irradiating a target with a beam of xenon clusters at an incidence angle of 60° was studied by the molecular dynamics method. The complete purification of graphene was achieved at beam energies of 10 and 15 eV. Visual observation and the calculated density profiles and mobility components of the lead atoms indicate the predominantly collective nature of the separation of Pb from graphene in the course of bombardment. When a beam of clusters with an energy of 15 eV acts on the target, the detached film of lead takes a torch shape and has strong internal stresses. The graphene sheet acquires maximum roughness at a beam energy of 10 eV as a result of a large number of the direct hits of xenon clusters on its surface.     

Trapping probabilities and desorption energies of alkali atoms on a clean and an oxygen covered tungsten (110) surface

Alkali atoms were scattered with hyperthermal energies from a clean and an oxygen covered (θ ≈ 0.5 ML) W(110) surface. The trapping probability of K and Na atoms on oxygen covered W(110) has been measured as a function of incoming energy (0–30 eV) and incident angle. A considerable enhancement of trapping on the oxygen covered surface compared to a clean surface was observed. At energies above 25 eV there are still K and Na atoms being trapped by the oxygen covered surface. From the temperature dependence of the mean residence time τ of the initially trapped atoms the pre-exponential factor τ₀ and the desorption energy Q were derived using the relation: $\text{τ = τ}{}_0\text{exp}\text{(}\text{Q}\text{kT}{}_{\mathrm{<mtext>s</mtext>}}\text{)}$. On clean W(110) we obtained for Li: $\text{τ}{}_0\text{= (8 ±}\text{8}\text{4}\text{) × 10}{}^{\mathrm{?14}}\text{sec}$, Q = (2.78 ± 0.09) eV; for Na: τ₀ = (9 ± 3) × 10^?14 sec, Q = (2.55 ± 0.04) eV; and for K: τ₀ = (4 ± 1) × 10^?13 sec, Q = (2.05 ± 0.02) eV. Oxygen covered W(110) gave for Na: τ₀ = (7 ±3) × 10^?15 sec, Q = (2.88 ± 0.05) eV; and for K: $\text{τ}{}_0\text{= (1.3 ±}\text{0.9}\text{0.6}\text{) × 10}{}^{\mathrm{?14}}\text{sec}$, Q = (2.48 ±0.05) eV. The adsorption on clean W(110) has the features of a supermobile two-dimentional gas; on the oxygen covered W(110) adsorbed atoms have the partition function of a one-dimen-sional gas. The binding of the adatoms to the surface has a highly ionic character in the systems of the present experiment. An estimate is given for the screening length of the non-perfect conductor W(110):k_s^?1≈ 0.5 Å.     

Probability of ionization of sputtered particles as a function of their energy: Part I: Negative Si ions

In this study we have investigated how the probability of ionization of sputtered Si atoms to form negative ions depends on the energy of the atoms. We have determined the ionization probability from experimental SIMS energy distributions using a special experimental technique, which included de-convolution of the energy distribution with an instrumental transmission function, found by separate measurements.We found that the ionization probability increases as a power law ∼E^0.677 for particles sputtered with energies of 0-10 eV, then becomes a constant value (within the limits of experimental error) for particles sputtered with energies of 30-100 eV. The energy distributions of Si⁻ ions, measured under argon and cesium ion sputtering, confirmed this radical difference between the yields from low and high-energy ions.To explain these results we have considered ionization mechanisms that are different for the low energy atoms (<10 eV) and for the atoms emitted with higher energy (>30 eV).     

The scattering of hydrogen from a cesiated tungsten surface

The reflection of protons from a partially cesiated tungsten surface is studied in the energy domain between 100 and 2000 eV and in the angular domain between 75° and 85° with respect to the surface normal. The study is performed by measuring the angular and energy distribution of the scattered negative ions. The reflection can take place along two paths. One path is reflection from the cesium surface layer, the other one is reflection from the tungsten substrate. A dependence of the final charge state on the path is observed. It is inferred that this phenomenon is due to incomplete neutralization of the protons scattered from the cesium layer. The energy loss of the reflected ions cannot be accounted for by using only the binary collision model. Also the electronic stopping of the atoms by the metal electrons is shown to be an important energy loss mechanism. Total conversion measurements of H⁺ to H^- combined with the measurements of the negatively charged fraction of the scattered particles, as reported in the proceeding paper, yield the particle reflection coefficient as a function of the angle of incidence. These reflection coefficients show that for angles of incidence less than 75° already more than 50% of the particles do not reflect from the surface. Total conversion efficiency measurements with H^- ions as primary ions show that the influence of the initial charge state on the total conversion is very small.     

Work function dependence of the Li(2p) formation in slow collisions of Li atoms with partially cesiated tungsten surfaces

The reflection of Li atoms from partially cesiated polycrystalline tungsten is studied at impact energies between 100 and 1000 eV at near-grazing incidence angles. The work function dependence of the yield for Li(2p) formation is studied between φ = 1.27 and 4.8 eV together with the probability for Li⁺ formation. While Li⁺ formation is only important for φ > 3.5 eV, the probability for Li(2p) excitation has its maximum of several percents near (at φ = 1.7±0.1 eV), but not exactly at the minimum of the work function. The dependence of the absolute photon yield is given as a function of the impact energy. The polarization properties of the Li(2p → 2s) photons are also studied. The angular distribution of the excited Li(2p) atoms for various φ values is obtained by applying photon-scattered atom coincidence techniques. An effort is made to understand the Li(2p) formation on cesiated metal surfaces on the basis of the nonadiabatic coupling between different Li states induced by the motion of the Li atom relative to the surface.     

Experimental study of surface and bulk plasmon losses induced in Al(001) by low energy electrons

We have measured the relative intensity of the elastic peak, and of the surface and bulk plasmon loss peaks, for electrons backscattered from an Al(001) single crystal surface. The exciting beam has an energy between 100 and 2000 eV, and impiges on the surface in an high symmetry plane of incidence with a colatitude angle of incidence varying between 0° and 80°. In a first series of experiments called “angle integrated experiment”, all the backscattered electrons are collected in a 2π solid angle retarding field analyser as a function of the primary beam energy and colatitude angle of incidence. In a second series called “angle resolved experiment”, the acceptance angle of the detector is set at 10° or $\text{1}\text{2}\text{°}$ and the variable parameters are colatitude angles of incidence and emission. We observe mainly that very clean aluminum exhibits large plasmon loss peaks with a negligible background. The results cannot be accounted for without sophisticated models, but “angular resolved experiments” are more suitable for a simple discussion than the “angle integrated experiment” and show mainly the phonon-plasmon coupling plus a θ dependent creation probability.     

Pt(111)表面低能溅射现象的分子动力学模拟

利用嵌入原子方法的原子间相互作用势，通过分子动力学模拟，详细研究了贵金属原子在Pt (111)表面的低能溅射现象.模拟结果显示：对于垂直入射情况，入射原子的质量对Pt (11 1)表面的溅射阈值影响不大.当入射原子的能量小于溅射阈值时，入射原子基本以沉积为主 ；当入射原子的能量大于溅射阈值时，溅射产额随入射原子能量的增加而线性增大；当入射 原子能量达到200 eV时，各种入射原子的溅射产额都达到或接近1，此时入射原子主要起溅 射作用.溅射原子发射的角分布概率和溅射花样与高能溅射相类似.研究表明：与基于二体碰 撞近似的线性级联溅射理论不同，当入射原子能量大于溅射阈值时，低能入射原子的溅射产 额正比于入射原子的约化能量和入射原子与基体原子的质量比.通过对低能入射原子的钉扎 能力分析，提出了支配低能溅射的入射原子反射物理机理. 关键词： 分子动力学模拟、低能溅射     

Trinal Nature of the Excitation of Bulk Plasmons by a Fast Charged Particle at Grazing Incidence on the Interface between Vacuum and a Metal with Strong Spatial Dispersion

The excitation and propagation of bulk and surface (surface waves of transition radiation of plasmons at frequencies above the plasma frequency) plasma waves by incident electrons moving both in vacuum toward the surface of a metal and inside the metal whose boundary elastically and spectacularly reflects internal nonequilibrium electrons have been analyzed. In contrast to work [B. N. Libenson, J. Exp. Theor. Phys. 113, 553 (2011)], attention in this work is focused on the influence of surface effects on bulk-plasmon excitation by incident electrons. The probabilities and spectra of single characteristic energy loss of an intermediate- energy electron (50–500 eV) moving at an angle to the surface of the medium in three regions: in vacuum, in the medium, and again in vacuum after the electron leaves the medium are calculated. The kinetic approximation is used for the dielectric function, where the entire range of the plasmon spectrum is taken into account correctly for the problem under consideration. In the indicated energy range of incident electrons, surface effects, on the one hand, significantly reduces the probability of excitation of bulk plasma waves in the medium with strong spatial dispersion, in particular, as compared to the results obtained in [B.N. Libenson, J. Exp. Theor. Phys. 113, 553 (2011)], where surface effects were disregarded and the probability of bulkplasmon excitation by a 200-eV electron incident and emitted perpendicularly to the boundary is about one third of that in the unbounded medium. On the other hand, at grazing incidence from vacuum, the probability of transition radiation of bulk plasmons increases significantly and can lead to a change in the character of the angular dependence of the intensity of bulk plasma energy loss. Thus, the main result of this work is that a decrease in the glancing angle of the fast electron with respect to the vacuum–metal interface is accompanied both by an increase in the contribution from the transition mechanism to the probability of bulk-plasmon excitation in the vacuum region and by a decrease in the contribution from Cherenkov and bremsstrahlung mechanisms of excitation in the medium. The probability of bulk-plasmon excitation in the vacuum region exceeds the probability of excitation at the further motion of the electron in metallic aluminum at angles of incidence larger than 65°, 70°, and 75° at the energies E = 200, 350, and 500 eV, respectively.     

Accommodation coefficients for low-energy ions on metal surfaces

The interaction of low-energy ions (E = 3 to 100 eV) with the surface of a solid cannot be treated in terms of gas dynamics. The scattering of particles at an energy of E _o > 20 eV may be explained in terms of binary collisions with the atoms of the target. The validity of the single collision model with free surface atoms for medium energies from 10 to 100 eV and even down to 1 eV was confirmed on the basis of both experimental and computational data. This paper describes experimental studies of the secondary ion emission from the (100) and (110) faces of a Mo single crystal and both experimental and theoretical studies of alkaline ion accommodation coefficient on polycrystalline Mo within the energy range E = 3 to 50 eV with a varying direction of the primary ion beam from normal to the glancing angle of incidence (ρ = 0 to 75°). On the basis of the retarding potential method using a spherical condenser whose central electrode was the target, we measured the energy distribution of secondary ions. Calculations have been performed for the energy of scattered ions and the high energy portion of accommodation coefficient on the basis of single and double binary collisions using the Born-Mayer potential and taking into consideration the influence of adsorption forces at the surface of the target.     

Study of the angular and energy distributions of Na+ and K+ ions which have passed through thin copper films

The angular and energy distributions of alkaline Na⁺ and K⁺ ions which have passed through thin Cu films in different crystal states are studied. The ion energy E₀ is varied from 10 to 40 keV, and the incidence angle. ranges from 0° to 60°. The angular aperture of the detector is ～0.5°, which allows the form of the angular distribution of ions which have passed through the solid thin films as a function of the energy, the angle of primary-ion beam incidence, and the layer thickness to be studied in detail. It is shown that, in the range E₀ = 10.40 keV, the energy loss ΔE of those ions that have passed increases linearly as the energy of incident ions increases. The energy loss increases with increasing ion mass in the case of singly charged ions. The surface amorphization of single- and polycrystalline films leads to an increase (by 150–200 eV) in the energy loss caused by the diffuse propagation of ions and to loss-peak broadening. It is probable that surface amorphization is accompanied by an increase in the number of atoms experiencing multiple collisions with atoms of the film, which leads to an increase in the average energy loss by ions that have passed through films.     

Diffraction of fast atomic projectiles during grazing scattering from a LiF(001) surface

Light atoms and molecules with energies from 300 eV to 25 keV are scattered under a grazing angle of incidence from a LiF(001) surface. For impact of neutral projectiles along low index directions for strings of atoms in the surface plane we observe a defined pattern of intensity spots in the angular distribution of reflected particles which is consistently described using concepts of diffraction theory and specific features of grazing scattering of atoms from insulator surfaces. Experimental results for scattering of H, D, 3He, and 4He atoms as well as H2 and D2 molecules can be unequivocally referred to atom diffraction with de Broglie wavelengths as low as about 0.001 Angstroms.     

Hyperthermal scattering of Cs from Pt(1 1 1): the effect of image charge on the ion-surface energy transfer

We have studied the energy exchange between hyperthermal (5-100 eV) Cs⁺ projectiles and a Pt(1 1 1) surface by measuring the kinetic energy of the scattered ions. The scattering geometry was chosen to be in-plane with specular scattering angles, and the energy of the scattered ions was analyzed as functions of incidence energy and angle. For low incidence energy (<40 eV), the energy transfer to the Pt surface is substantially enhanced due to the attractive image charge force between Cs⁺ and the surface. The image charge effects are highlighted by the different energy transfer on Pt(1 1 1) and Si(1 1 1) surfaces. Analysis of the experimental results using two- and three-dimensional theoretical models revealed a well depth of 1 eV for the image charge potential. Hyperthermal Cs⁺ ions scatter from Pt(1 1 1) predominantly via double collisions with Pt atoms, though the scattering phenomena are insensitive to the impact site at the surface.