Transmission low-energy electron diffraction (TLEED) and its application to the low-voltage point-projection microscope

Qian, W.; Spence, John C. H.; Zuo, Jian‐Min

doi:10.1107/s0108767392010705

Cited by 17 publications

(5 citation statements)

References 26 publications

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“…where N is the number of included Fourier coefficients of the crystal potential 31 . We expect that backscattering will have a higher effect at lower energies and along directions with strong multiple scattering, e.g.…”

Section: Theorymentioning

confidence: 99%

“…Inclusion of backscattering in the theory results in eigenvalue problems of size 2N × 2N as compared with N × N when neglecting backscattering, where N is the number of included Fourier coefficients of the crystal potential [31]. We expect that backscattering will have a higher effect at lower energies and along directions with strong multiple scattering, e.g.…”

Section: Theorymentioning

confidence: 99%

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High-energy photoelectron diffraction: model calculations and future possibilities

2008

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We discuss the theoretical modelling of x-ray photoelectron diffraction (XPD) with hard xray excitation at up to 20 keV, using the dynamical theory of electron diffraction to illustrate the characteristic aspects of diffraction patterns resulting from such localized emission sources in a multi-layer crystal. We show via dynamical calculations for diamond, Si, and Fe that the dynamical theory well predicts available current data for lower energies around 1 keV, and that the patterns for energies above about 1 keV are dominated by Kikuchi bands which are created by the dynamical scattering of electrons from lattice planes. The origin of the fine structure in such bands is discussed from the point of view of atomic positions in the unit cell. The profiles and positions of the element-specific photoelectron Kikuchi bands are found to be sensitive to lattice distortions (e.g. a 1% tetragonal distortion) and the position of impurities or dopants with respect to lattice sites. We also compare the dynamical calculations to results from a cluster model that is more often used to describe lower-energy XPD. We conclude that hard XPD (HXPD) should be capable of providing unique bulk-sensitive structural information for a wide variety of complex materials in future experiments.

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Section: Theorymentioning

confidence: 99%

Section: Theorymentioning

confidence: 99%

High-energy photoelectron diffraction: model calculations and future possibilities

2008

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“…f (e) ( s ) is the electron atomic scattering factor, which can be obtained by a fitting formula, , where s = g /4π, exp(− Bs 2 ) is the Debye–Waller factor, and the fitting parameters a i and b i can be found in ref . The dynamical equation of eq is very typical; it can be converted into an eigenvalue equation and there have been suitable methods to solve it. − Thereby, one can obtain C g ( j ) and k ( j ) from eq . Then, A ( j ) can be calculated using the formula A ( j ) = C j –1 , where C j –1 is the j th element of the first column of C –1 , which is the inverse of the matrix C whose elements are C g ( j ) .…”

Section: Methodsmentioning

confidence: 99%

Theoretical Perspective of Atomic Resolution Secondary Electron Imaging

et al. 2021

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Atomic resolution secondary electron imaging (ARSEI) has become an alternative tool for material characterization; however, its application potential is still underestimated due to insufficient understanding of the imaging mechanism. In this work, a robust quantum trajectory Monte Carlo method is developed to theoretically investigate the physical processes of ARSEI and thereby establish a new imaging mechanism. The new mechanism suggests that ARSEI can even identify the atoms of the same element in different atomic layers near the surface with a depth difference <2 Å. Thus, ARSEI can be expected to greatly promote the development of material characterization. For example, it may help to directly observe the AA, AB, and BA stacking in few-layer two-dimensional materials and to determine in which layer of a multilayer material an atom is adsorbed.

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“…where n is the unit normal vector of the surface. By substituting equation (5) into equation (4), the equation is converted into an eigenvalue equation [35] in the form of…”

Section: Bloch Wave Theorymentioning

confidence: 99%

Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal

Cheng

Ding

2018

New J. Phys.

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The Bohmian trajectory method is employed to study electron diffraction in crystalline materials. It provides a fresh understanding of the process of electron diffraction, including traveling channels of electrons and formation of diffraction patterns. By combining it with the Bloch wave method, the electron trajectories can be calculated more efficiently than the traditional wave-packet propagation algorithm. Meanwhile, we propose a momentum expectation approach which is a good approximation method with even higher computational efficiency. Both methods result in intuitive and accurate electron trajectories for the simulation of the electron backscatter diffraction (EBSD) pattern. Excellent agreement has been obtained between the simulated trajectory distributions and the experimental EBSD pattern from Mo (001) at 20 kV, where the Kikuchi patterns and higher order Laue zone rings are characterized.

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Transmission low-energy electron diffraction (TLEED) and its application to the low-voltage point-projection microscope

Cited by 17 publications

References 26 publications

High-energy photoelectron diffraction: model calculations and future possibilities

High-energy photoelectron diffraction: model calculations and future possibilities

Theoretical Perspective of Atomic Resolution Secondary Electron Imaging

Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal

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