ADF STEM imaging of screw dislocations viewed end-on

This paper presents annular dark-field scanning transmission electron microscope image simulations of a screw dislocation viewed end-on in a thin single crystal of Mo, taking into account surface relaxation (the Eshelby twist). The image contrast can be understood in terms of the effects of the displacements normal to the dislocation arising from the Eshelby twist on the channelling behaviour and interband scattering of the incident beam. With the beam focussed at the entrance surface, the image peak positions reflect the positions of the atoms at the entrance surface. For atomic columns at distances from the core less than the foil thickness, the image peak positions are predicted to lie between the perfect crystal and actual surface atom positions. The predicted intensity distribution of the image is qualitatively similar to that of a published experimental image of a screw dislocation in GaN [Phys. Rev. Lett. 91 (2003) p. 165501]. An assessment is made of the possibility of imaging core displacements by focussing near the foil centre, where surface relaxation effects should be minimised.     

Direct observation of local distortion of a crystal lattice with picometer accuracy using atomic resolution neutron holography

We demonstrate that neutron holography permits us to extend the determination of atomic positions beyond nearest neighbors at least up to the fourth neighboring shell around cadmium probe atoms alloyed into a lead crystal. The accuracy achieved is sufficient to allow quantitative determination of displacements of atoms due to elastic distortions induced by impurity atoms. The atomic positions derived from the holographic data are in good agreement with those expected theoretically due to Friedel oscillations in this system. In addition, the atomic positions are in qualitative agreement with results obtained in an independent experiment studying the diffuse distortion scattering around Bragg peaks.     

Effect of Eshelby twist on core structure of screw dislocations in molybdenum: atomic structure and electron microscope image simulations

This paper addresses the question as to whether the core structure of screw dislocations in Mo in the bulk can be obtained from high-resolution electron microscopy (HREM) images of such dislocations viewed end-on in a thin foil. Atomistic simulations of the core structure of screw dislocations in elastically anisotropic Mo were carried out using bond order potentials. These simulations take account automatically of the effects of the surface relaxation displacements (anisotropic Eshelby twist). They show that the differential displacements of the atoms at the surface are different with components perpendicular to the Burgers vector about five times larger than those in the middle of the foil, the latter being characteristic of the bulk. Nye tensor plots show that the surface relaxation stresses strongly affect the incompatible distortions. HREM simulations of the computed structure reflect the displacements at the exit surface, modified by interband scattering and the microscope transfer function. Nye tensor plots obtained from the HREM images show that interband scattering also affects the incompatible distortions. It is concluded that it would be very difficult to obtain information on the core structure of screw dislocations in the bulk Mo from HREM images, even under ideal experimental conditions, and that quantitative comparisons between experimental and simulated images from assumed model structures would be essential.     

Quantum transport for Bloch electrons in homogeneous time dependent electric fields

Quantum Transport Equations for Bloch electrons interacting with randomly distributed impurities in the presence of a homogeneous electric field of arbitrary strength and time dependence are derived. The equations account for all possible quantum effects to lowest nonzero order in the scattering strength, including intra and interband scattering, interband Zener tunneling and non-linear transient transport, and contain effects previously not anticipated, such as coherent impurity scattering, and field and time dependent scattering matrix elements.     

Rabi oscillations between dissipative Bloch bands

Within a two-band tight-binding model driven by DC–AC electric fields, we investigate the dynamics of electrons with Markoffian dephasing. We find that Rabi oscillations between the Bloch bands under the resonant condition may be destroyed by scattering from lattice imperfections. Through a perturbative calculation, we also obtain the effective decay time for the approach to equal Bloch band populations under conditions of small interband coupling and in the long-time limit. The decay rate shows characteristic sharp peaks at values of the parameters that give a signature of Rabi oscillations, and quasienergy spectra display avoided crossings at the same time.     

Scattering by Cu adatoms between image-potential bands on Cu(001)

With the increasing resolution and sensitivity of photoelectron spectroscopy, the influence of defects is becoming more and more obvious. Scattering processes induced by adsorbate atoms can be studied by time- and angle-resolved two-photon photoemission. We have examined the dynamics of electrons in image-potential states on the Cu(001) surface for statistically distributed Cu adatoms and have identified different scattering mechanisms. Scattering of electrons from the second (n=2) to the bottom of the first (n=1) image-potential band is observed, which we attribute to inelastic interband scattering with electrons in the bulk. At energies above the bottom of the n=2 band, resonant interband scattering from the n=2 to the n=1 image-potential band is found. The rate for these processes can be determined by modeling the time-resolved measurements via optical Bloch equations of a four-level system. Comparison of the transition and decay rates reveals that the decay rate of the n=2 electrons is almost exclusively changed by additional resonant interband-scattering processes upon adsorption. PACS 73.20.At; 79.60.Ht; 68.49.Jk     

Energy spectrum of ejected electrons in ionization of hydrogen atoms by electrons

Energy spectrum of ejected electrons in ionization of hydrogen atoms has been calculated following a multiple scattering theory of Das and Seal [15]. The results show peaks around two to three Rydbergs of energies of the ejected electrons, for incident electron energy of 250 eV and 500 eV, considered here, and for different combinations of the angular variables of the scattered and the ejected electrons, for scattering in a plane. The peaks are very similar to those observed in relativistic K-shell ionization of Ag atoms by electrons at 500 KeV energy [6]. The physical origin of these peaks may be traced to the second order scatterings, scattering first by the atomic nucleus (or the atomic electron) and then a second time by the atomic electron. These peaks are, however, absent in the first Born results. Experimental verification of the present results and theoretical calculation by some other well-known methods will be interesting.     

Atom scattering as a probe of the surface electron-phonon interaction at conducting surfaces

An atomic projectile colliding with a surface at kinetic energies in the thermal or hyperthermal range interacts with and is reflected by the electronic density well in front of the first layer of target atoms, and it is generally accepted that the repulsive interaction potential is proportional to the density of electrons extending outside the surface. This review develops a complete treatment of the elastic and inelastic scattering of atoms from a conducting surface in which the interaction with the electron density and its vibrations is treated using electron-phonon coupling theory. Starting from the basic principles of formal scattering theory, the elastic and inelastic scattering intensities are developed in a manner that identifies the small overlap region in the surface electron density where the projectile atom is repelled. The effective vibrational displacements of the electron gas, which lead to energy transfer through excitation of phonons, are directly related to the vibrational displacements of the atomic cores in the target crystal via electron-phonon coupling. The effective Debye-Waller factor for atom-surface scattering is developed and related to the mean square displacements of the atomic cores. The complex dependence of the Debye-Waller factor on momentum and energy of the projectile, including the effects of the attractive adsorption well in the interaction potential, are clearly defined. Applying the standard approximations of electron-phonon coupling theory for metals to the distorted wave Born approximation leads to expressions which relate the elastic and inelastic scattering intensities, as well as the Debye-Waller factor, to the well known electron-phonon coupling constant λ. This treatment reproduces the previously obtained result that the intensities for single phonon inelastic peaks in the scattered spectra are proportional to the mode specific mass correction components λ_Q,ν defined by the relationship λ = 〈λ_Q,ν〉. The intensities of elastic diffraction peaks are shown to be a weighted sum over the λ_Q,ν, and the Debye-Waller factor can also be expressed in terms of a similar weighted summation. In the simplest case the Debye-Waller exponent is shown to be proportional to λ and for simple metals, metal overlayers, and other kinds of conducting surfaces values of λ are extracted from available experimental data. This dependence of the elastic and inelastic scattering, and that of the Debye-Waller factor, on the electron-phonon coupling constant λ shows that measurements of elastic and inelastic spectra of atomic scattering are capable of revealing detailed information about the electron-phonon coupling mechanism in the surface electron density.     

基于YOLOv3框架的高分辨电镜图像原子峰位置检测

高分辨电镜图像中原子峰位置的检测具有十分重要的现实意义,通过精确定量化原子峰位置可以分析物质在微观尺度上的结构形变、电极化矢量分布等重要信息.近年来深度学习技术在图像目标检测领域取得了巨大突破,这一技术可用在高分辨电镜图像处理上,因为原子位置的检测可以看作是一个目标检测问题.本文利用先进的机器学习方法,通过制作高质量原子图像样本集,使用YOLOv3目标识别框架对原子图像进行自动检测,达到预期效果,实现了深度学习技术在高分辨电镜图像处理领域的应用.该方法的运用有望突破自动处理动态、大量电镜图片的瓶颈问题.     

Characteristic energy losses of 8 keV electrons in liquid In-Al and In-Bi alloys

Measurements have been made of the characteristic energy losses of 8 kev electrons in a series of liquid In-Al and In-Bi alloys in order to avoid the confusing effects of phase mixtures present in most similar studies of solid alloy systems. Loss spectra were measured in a reflection-type scattering geometry with total electron scattering angles of 15° and 70°. Two principal energy loss peaks, identified as being due to surface plasmon and to volume plasmon excitation, were found to vary as a function of alloy composition in each system. Deviations from the variation expected from a simple free-electron model could be interpreted in some cases in terms of an interband electronic transition occurring near the measured volume and surface energy-loss peaks. For bismuth-rich In-Bi alloys and for indiumrich In-Al alloys the transmission energy and oscillator strength could be estimated and shown as a function of composition.     

Unelastische Streuung in der dynamischen Theorie der Elektronenbeugung

A general solution to the fundamental equations of inelastic scattering of fast electrons in crystals is obtained by using a Green function constructed of Bloch waves. Inelastic interband transitions are shown to vanish if they are of a direct type, but not when implying simultaneous Bragg reflexion. These selection rules hold for any type of electron-crystal interaction. The resulting imaginary absorption potentials for the different intraband and interband transitions can be calculated separately. They are reduced to a simple form in the two-beam case. The expression measuring the anomalous absorption contains the Yoshioka potential C ₀ ⁱ g and an additional term which gives a small contribution in the case of crystal electron excitation and no contribution in the case of phonon excitation. Numerical calculations for the scattering of 100 keV electrons in Al, Cu, Ge, Si and MgO are made and compared with experimental data. An analytic expression forYoshioka's C ₀ ⁱ g due to plasmon excitation is derived which vanishes in the random phase approximation.     

Impact of dynamical scattering on quantitative contrast for aberration-corrected transmission electron microscope images

Aberration-corrected transmission electron microscope images taken under optimum-defocus conditions or processed offline can correctly reflect the projected crystal structure with atomic resolution. However, dynamical scattering, which will seriously influence image contrast, is still unavoidable. Here, the multislice image simulation approach was used to quantify the impact of dynamical scattering on the contrast of aberration-corrected images for a 3C-SiC specimen with changes in atomic occupancy and thickness. Optimum-defocus images with different spherical aberration (C_S) coefficients, and structure images restored by deconvolution processing, were studied. The results show that atomic-column positions and the atomic occupancy for SiC ‘dumbbells’ can be determined by analysis of image contrast profiles only below a certain thickness limit. This limit is larger for optimum-defocus and restored structure images with negative C_S coefficient than those with positive C_S coefficient. The image contrast of C (or Si) atomic columns with specific atomic occupancy changes differently with increasing crystal thickness. Furthermore, contrast peaks for C atomic columns overlapping with neighboring peaks of Si atomic columns with varied Si atomic occupancy, which is enhanced with increasing crystal thickness, can be neglected in restored structure images, but the effect is substantial in optimum-defocus images.     

Accurate retrieval of structural information from laser-induced photoelectron and high-order harmonic spectra by few-cycle laser pulses

By analyzing accurate theoretical results from solving the time-dependent Schr?dinger equation of atoms in few-cycle laser pulses, we established the general conclusion that laser-generated high-energy electron momentum spectra and high-order harmonic spectra can be used to extract accurate differential elastic scattering and photo-recombination cross sections of the target ion with free electrons, respectively. Since both electron scattering and photoionization (the inverse of photo-recombination) are the conventional means for interrogating the structure of atoms and molecules, this result implies that existing few-cycle infrared lasers can be implemented for ultrafast imaging of transient molecules with temporal resolution of a few femtoseconds.     

The correlation energy of anisotropic metals

The effect of a spatially periodic field on the correlation energy of metallic electrons is studied. The crystal potential is taken to vary in one dimension only. It may be arbitrarily strong, but an implicit form is chosen so as to generate specially simple Bloch states (the ‘sinusoidal electron model’). Electronic motion in the plane normal to the crystal field is assumed free. The constantenergy surfaces are taken to be ellipsoids of revolution. An explicit representation of the crystal field is not required. It is found that specifically crystalline effect—such as Umklapp scattering—do not play an important role, and that the main effect of interband scattering is merely a shift in the constant term in the correlation energy. On the other hand the ellipticity of the energy surfaces does lead to significant modifications to the free-electron expression.     

Spin-orbit lateral superlattices: Energy bands and spin polarization in 2DEG

The Bloch spinors, energy spectrum, and spin density in energy bands are studied for a two-dimensional electron gas (2DEG) with Rashba spin-orbit (SO) interaction subject to the one-dimensional (1D) periodic electrostatic potential of a lateral superlattice. The space symmetry of the Bloch spinors with spin parity is studied. It is shown that the Bloch spinors at fixed quasi-momentum describe the standing spin waves with the wavelength equal to the superlattice period. The spin projections in these states have components both parallel and transverse to the 2DEG plane. The anticrossing of the energy dispersion curves due to the interplay between the SO and periodic terms is observed, thus, leading to the spin flip. The relation between the spin parity and the interband optical selection rules is discussed, and the effect of magnetization of the SO superlattice in the presence of an external electric field is predicted. The text was submitted by the authors in English.     

Displacement fields around Guinier–Preston 1 zones in Al–Cu alloys: investigations using MD and ADF-STEM image simulations

The displacements of atoms around Guinier–Preston 1 (GP1) zones in Al–Cu alloys at a temperature of 295?K have been investigated using molecular dynamics (MD) simulations. The magnitude of the displacements at the first Al layer adjacent to a GP1 zone reached 24% strain and this value decreased with distance from the zone to zero at about 40th Al layer. Strain fields near a GP1 zone were evaluated by calculating strain tensors around individual atoms. The obtained strain maps suggested that the equilibrium Cu content in a GP1 zone should be 100%. The atomic configurations determined by MD simulations were utilised for multislice image simulations of annular dark-field scanning transmission electron microscopy (ADF-STEM) to investigate the effect of foil thickness and the depth position of a GP1 zone in a foil on ADF-STEM images. The atomic displacements in ADF-STEM images were smaller than the MD result due to foil thickness and electron channelling.     

Semiclassical Calculations of Autoionization Rate for Lithium Atoms in Parallel Electric and Magnetic Fields

By using a semiclassical method, we present theoretical computations of the ionization rate of Rydberg lithium atoms in parallel electric and magnetic fields with different scaled energies above the classical saddle point. The yielded irregular pulse trains of the escape electrons are recorded as a function of emission time, which allows for relating themselves to the terms of the recurrence periods of the photoabsorption. This fact turns to illustrate the dynamic mechanism how the electron pulses are stochastically generated. Comparing our computations with previous investigation results, we can deduce that the complicated chaos under consideration here consists of two kinds of seff-similar fractal structures which correspond to the contributions of the applied magnetic feld and the core scattering events. Furthermore, the effect of the magnetic field plays a major role in the profile of the autoionization rate curves, while the contribution of the core scattering is critical for specifying the positions of the pulse peaks.     

Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekülen im Energieverlustspektrum von 25 keV-Elektronen

The energy loss spectra of 25-keV electrons after interaction with alkali halide vapors were measured. For the energy losses in the energy rangeE?6eV the positions of the peaks are consistent with light absorption measurements considering the energy resolution of the loss spectra. At higher energy peaks were observed, which correspond to the excitation of inner electrons belonging to the alkali atoms. From electron diffraction diagramms it follows, that for the lithium halides the concentration of dimers is considerable.     

Structural deformations of the cubic lattice of the Zn1 ? x Fe x Se (x = 0.001) crystal

The structural state of a Zn_{1 ? x} Fe _x Se (x = 0.001) crystal has been studied using thermal neutron diffraction. The diffraction patterns of the cubic crystal have been found to contain diffuse scattering regions concentrated in the vicinity of the strong Bragg reflections. It has been shown that the diffuse scattering effects are due to local transverse displacements of the crystal lattice atoms, and these displacements are induced by iron ions that demonstrate the static Jahn-Teller effect of the tetragonal type in the ZnSe compound.     

利用扫描隧道谱(STS)对石墨单晶表面局域电子态的研究

利用ＳＴＳ测量并结合扫描隧道显微镜（ＳＴＭ）扫描图象，给出一组沿石墨单晶表面原子分辨的ＳＴＭ图象上某一线段各点处的扫描隧道谱．ｄ（lｎI）／ｄ（lｎＶ）～ｅＶ由测量谱给出的样品表面Ｅ_Ｆ附近局域态密度分布与由体能带结构计算得到的结果在一定程度上相符合，将各条曲线中Ｅ_Ｆ附近的态密度峰能量对相应的空间位置作图，给出石墨表面E_F附近能态密度在测量区域内实空间的变化。通过对表面不等价Ａ，Ｂ类原子处局域电子结构的分析并利用简单模型进行计算，给出了与实验 关键词：