Effects of wave function correlations on scaling violation in quasi-free electron scattering

1981 ◽  
Vol 107 (4) ◽  
pp. 259-262 ◽  
Author(s):  
V. Tornow ◽  
D. Drechsel ◽  
G. Orlandini ◽  
M. Traini
Author(s):  
D.E. Jesson ◽  
S. J. Pennycook

It is well known that conventional atomic resolution electron microscopy is a coherent imaging process best interpreted in reciprocal space using contrast transfer function theory. This is because the equivalent real space interpretation involving a convolution between the exit face wave function and the instrumental response is difficult to visualize. Furthermore, the crystal wave function is not simply related to the projected crystal potential, except under a very restrictive set of experimental conditions, making image simulation an essential part of image interpretation. In this paper we present a different conceptual approach to the atomic imaging of crystals based on incoherent imaging theory. Using a real-space analysis of electron scattering to a high-angle annular detector, it is shown how the STEM imaging process can be partitioned into components parallel and perpendicular to the relevant low index zone-axis.It has become customary to describe STEM imaging using the analytical treatment developed by Cowley. However, the convenient assumption of a phase object (which neglects the curvature of the Ewald sphere) fails rapidly for large scattering angles, even in very thin crystals. Thus, to avoid unpredictive numerical solutions, it would seem more appropriate to apply pseudo-kinematic theory to the treatment of the weak high angle signal. Diffraction to medium order zero-layer reflections is most important compared with thermal diffuse scattering in very thin crystals (<5nm). The electron wave function ψ(R,z) at a depth z and transverse coordinate R due to a phase aberrated surface probe function P(R-RO) located at RO is then well described by the channeling approximation;


2019 ◽  
Vol 99 (11) ◽  
Author(s):  
Z. M. Abd El-Fattah ◽  
M. A. Kher-Elden ◽  
I. Piquero-Zulaica ◽  
F. J. García de Abajo ◽  
J. E. Ortega

The Kapur-Peierls resonance formalism adapted for electron scattering by atomic systems is modified to allow for the exclusion principle, and a variational principle is derived for calculating the complex resonance energies. The theory is applied to calculate the first four resonance levels in the 1 S state of the electron/atomic hydrogen system by using a trial wave function made up from singleparticle functions which are modified (1 s ), (2 s ) and (2 p ) hydrogen wave functions. We find two levels (at approximately — 13 and — 10 eV) whose widths are of the order of a few volts. There are also two levels (at about — 3 and 0 eV) which have very narrow widths, less than 10 -2 eV, if they occur below the inelastic threshold, shooting up to widths of several volts at threshold. Such a narrow level occurs if the resonant state is energetically unable to decay to a state of the residual atom of which it contains a substantial component.


1998 ◽  
Vol 63 (8) ◽  
pp. 1264-1284 ◽  
Author(s):  
Petr Čársky ◽  
Tomáš Reschel

We present formulas for two-electron free-free exchange integrals and integrals with three Gaussians and one plane-wave function that are required in calculations of electron scattering by polyatomic molecules. The formulas of integrals with p- and d-type Gaussians were obtained by differentiation of the fundamental integrals (sk'|sk) and (ss|sk) that contain s-type Gaussians only and that may be evaluated by means of the Faddeeva function w. Explicit formulas are given for the two types of integrals in the spd Gaussian basis.


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