Towards quantitative treatment of electron pair distribution function.

Zhongbo Lee 1
Xiaoke Mu 4
Christoph Jung 5, 6
Timo Jacob 5, 6, 7
Ute Kaiser 1
Publication typeJournal Article
Publication date2019-08-01
scimago Q2
wos Q3
SJR0.300
CiteScore2.8
Impact factor1.3
ISSN20525192, 20525206
Materials Chemistry
Metals and Alloys
Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Abstract

The pair distribution function (PDF) is a versatile tool to describe the structure of disordered and amorphous materials. Electron PDF (ePDF) uses the advantage of strong scattering of electrons, thus allowing small volumes to be probed and providing unique information on structure variations at the nano-scale. The spectrum of ePDF applications is rather broad: from ceramic to metallic glasses and mineralogical to organic samples. The quantitative interpretation of ePDF relies on knowledge of how structural and instrumental effects contribute to the experimental data. Here, a broad overview is given on the development of ePDF as a structure analysis method and its applications to diverse materials. Then the physical meaning of the PDF is explained and its use is demonstrated with several examples. Special features of electron scattering regarding the PDF calculations are discussed. A quantitative approach to ePDF data treatment is demonstrated using different refinement software programs for a nanocrystalline anatase sample. Finally, a list of available software packages for ePDF calculation is provided.

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GOST Copy
Gorelik T. E. et al. Towards quantitative treatment of electron pair distribution function. // Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2019. Vol. 75. No. 4. pp. 532-549.
GOST all authors (up to 50) Copy
Gorelik T. E., Neder R. B., Terban M. W., Lee Z., Mu X., Jung C., Jacob T., Kaiser U. Towards quantitative treatment of electron pair distribution function. // Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2019. Vol. 75. No. 4. pp. 532-549.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1107/S205252061900670X
UR - https://doi.org/10.1107/S205252061900670X
TI - Towards quantitative treatment of electron pair distribution function.
T2 - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
AU - Gorelik, Tatiana E.
AU - Neder, Reinhard B.
AU - Terban, Maxwell W.
AU - Lee, Zhongbo
AU - Mu, Xiaoke
AU - Jung, Christoph
AU - Jacob, Timo
AU - Kaiser, Ute
PY - 2019
DA - 2019/08/01
PB - International Union of Crystallography (IUCr)
SP - 532-549
IS - 4
VL - 75
PMID - 32830711
SN - 2052-5192
SN - 2052-5206
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2019_Gorelik,
author = {Tatiana E. Gorelik and Reinhard B. Neder and Maxwell W. Terban and Zhongbo Lee and Xiaoke Mu and Christoph Jung and Timo Jacob and Ute Kaiser},
title = {Towards quantitative treatment of electron pair distribution function.},
journal = {Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials},
year = {2019},
volume = {75},
publisher = {International Union of Crystallography (IUCr)},
month = {aug},
url = {https://doi.org/10.1107/S205252061900670X},
number = {4},
pages = {532--549},
doi = {10.1107/S205252061900670X}
}
MLA
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MLA Copy
Gorelik, Tatiana E., et al. “Towards quantitative treatment of electron pair distribution function..” Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 75, no. 4, Aug. 2019, pp. 532-549. https://doi.org/10.1107/S205252061900670X.