SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data

被引：44

作者：

Dung Trung Tran ^{[1
,2
]}

Svensson, Gunnar ^{[1
]}

Tai, Cheuk-Wai ^{[1
]}

机构：

[1] Stockholm Univ, Arrhenius Lab, Dept Mat & Environm Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden

[2] Johnson Matthey Technol Ctr, Blounts Court Rd, Reading RG4 9NH, Berks, England

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2017年 / 50卷

关键词：

pair distribution functions; electron diffraction; transmission electron microscopy; disorder; AMORPHOUS MATERIALS; STRUCTURAL-ANALYSIS;

D O I：

10.1107/S160057671601863X

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electron microscopes. It is based on the physics of electron scattering as well as the total scattering methodology. A method of background modeling is introduced to treat the intensity tail of the direct beam, inelastic scattering and incoherent multiple scattering. Kinematical electron scattering intensity is scaled using the electron scattering factors. The PDFs obtained after Fourier transforms are normalized with respect to number density, nanoparticle form factor and the non-negativity of probability density. SUePDF is distributed as free software for academic users.

引用

页码：304 / 312

页数：9

共 33 条

[1] Quantitative nanostructure characterization using atomic pair distribution functions obtained from laboratory electron microscopes [J].

Abeykoon, Milinda ;

Malliakas, Christos D. ;

Juhas, Pavol ;

Bozin, Emil S. ;

Kanatzidis, Mercouri G. ;

Billinge, Simon J. L. .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 2012, 227 (05) :248-256

[2] Quantitative electron diffraction data of amorphous materials [J].

Ankele, JE ;

Mayer, J ;

Lamparter, P ;

Steeb, S .

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2005, 60 (06) :459-468

[3] INVESTIGATION OF AMORPHOUS MATERIALS BY ELECTRON-DIFFRACTION - THE EFFECTS OF MULTIPLE-SCATTERING [J].

ANSTIS, GR ;

LIU, Z ;

LAKE, M .

ULTRAMICROSCOPY, 1988, 26 (1-2) :65-69

[4]

Brown P.J., 2006, International Tables for Crystallography, VC, P554, DOI DOI 10.1107/97809553602060000600

[5] The technique of RDF of nanovolumes using electron diffraction [J].

Cockayne, David ;

Chen, Yixin ;

Li, Guoqiang ;

Borisenko, Konstantin .

ELECTRON MICROSCOPY AND ANALYSIS GROUP CONFERENCE 2009 (EMAG 2009), 2010, 241

[6] The study of nanovolumes of amorphous materials using electron scattering [J].

Cockayne, David J. H. .

ANNUAL REVIEW OF MATERIALS RESEARCH, 2007, 37 :159-187

[7] ELECTRON-DIFFRACTION ANALYSIS OF POLYCRYSTALLINE AND AMORPHOUS THIN-FILMS [J].

COCKAYNE, DJH ;

MCKENZIE, DR .

ACTA CRYSTALLOGRAPHICA SECTION A, 1988, 44 :870-878

[8]

Cowley J.M., 1992, Electron Diffraction Techniques, V1

[9] DETERMINATION OF STRUCTURE FACTORS FROM DYNAMICAL EFFECTS IN ELECTRON DIFFRACTION [J].

COWLEY, JM .

ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1969, A 25 :129-&

[10]

Egami T, 2003, PERGAMON MATER SER, V7, pVII

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