The determination of atomic positions in high-resolution electron micrographs

W. O. Saxton; David Smith

doi:10.1016/0304-3991(85)90120-2

The determination of atomic positions in high-resolution electron micrographs

W. O. Saxton, David Smith

Research output: Contribution to journal › Article › peer-review

49 Scopus citations

Abstract

The accuracy with which atomic positions might be determined by means of high-resolution electron microscopy has been investigated. Extensive calculations have been undertaken for a 1D model structure as a function of various factors, including resolution, atomic separation, focus and incident beam alignment. These reveal that experimental shifts of up to 30 pm may be encountered even near optimum focus with axial imaging conditions. Full 2D multislice calculations for a recurrent intergrowth structure have broadly confirmed these results. It is concluded that compensation of the imaging conditions by digital focal series restoration must be undertaken before accurate atomic positions can be deduced from micrographs with any reliability.

Original language	English (US)
Pages (from-to)	39-47
Number of pages	9
Journal	Ultramicroscopy
Volume	18
Issue number	1-4
DOIs	https://doi.org/10.1016/0304-3991(85)90120-2
State	Published - 1985

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Instrumentation

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10.1016/0304-3991(85)90120-2

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title = "The determination of atomic positions in high-resolution electron micrographs",

abstract = "The accuracy with which atomic positions might be determined by means of high-resolution electron microscopy has been investigated. Extensive calculations have been undertaken for a 1D model structure as a function of various factors, including resolution, atomic separation, focus and incident beam alignment. These reveal that experimental shifts of up to 30 pm may be encountered even near optimum focus with axial imaging conditions. Full 2D multislice calculations for a recurrent intergrowth structure have broadly confirmed these results. It is concluded that compensation of the imaging conditions by digital focal series restoration must be undertaken before accurate atomic positions can be deduced from micrographs with any reliability.",

author = "Saxton, {W. O.} and David Smith",

note = "Funding Information: One of us (W.O.S.) is grateful for support from a Royal Society Fellowship.",

year = "1985",

doi = "10.1016/0304-3991(85)90120-2",

language = "English (US)",

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AU - Saxton, W. O.

AU - Smith, David

N1 - Funding Information: One of us (W.O.S.) is grateful for support from a Royal Society Fellowship.

PY - 1985

Y1 - 1985

N2 - The accuracy with which atomic positions might be determined by means of high-resolution electron microscopy has been investigated. Extensive calculations have been undertaken for a 1D model structure as a function of various factors, including resolution, atomic separation, focus and incident beam alignment. These reveal that experimental shifts of up to 30 pm may be encountered even near optimum focus with axial imaging conditions. Full 2D multislice calculations for a recurrent intergrowth structure have broadly confirmed these results. It is concluded that compensation of the imaging conditions by digital focal series restoration must be undertaken before accurate atomic positions can be deduced from micrographs with any reliability.

AB - The accuracy with which atomic positions might be determined by means of high-resolution electron microscopy has been investigated. Extensive calculations have been undertaken for a 1D model structure as a function of various factors, including resolution, atomic separation, focus and incident beam alignment. These reveal that experimental shifts of up to 30 pm may be encountered even near optimum focus with axial imaging conditions. Full 2D multislice calculations for a recurrent intergrowth structure have broadly confirmed these results. It is concluded that compensation of the imaging conditions by digital focal series restoration must be undertaken before accurate atomic positions can be deduced from micrographs with any reliability.

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The determination of atomic positions in high-resolution electron micrographs

Abstract

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