Structure refinement using precession electron diffraction tomography and dynamical diffraction: theory and implementation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F15%3A10318481" target="_blank" >RIV/00216208:11320/15:10318481 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/15:00455910

Výsledek na webu

<a href="http://dx.doi.org/10.1107/S2053273315001266" target="_blank" >http://dx.doi.org/10.1107/S2053273315001266</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S2053273315001266" target="_blank" >10.1107/S2053273315001266</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Structure refinement using precession electron diffraction tomography and dynamical diffraction: theory and implementation

Popis výsledku v původním jazyce

Accurate structure refinement from electron-diffraction data is not possible without taking the dynamical-diffraction effects into account. A complete three-dimensional model of the structure can be obtained only from a sufficiently complete three-dimensional data set. In this work a method is presented for crystal structure refinement from the data obtained by electron diffraction tomography, possibly combined with precession electron diffraction. The principle of the method is identical to that used in X-ray crystallography: data are collected in a series of small tilt steps around a rotation axis, then intensities are integrated and the structure is optimized by least-squares refinement against the integrated intensities. In the dynamical theory ofdiffraction, the reflection intensities exhibit a complicated relationship to the orientation and thickness of the crystal as well as to structure factors of other reflections. This complication requires the introduction of several specia

Název v anglickém jazyce

Structure refinement using precession electron diffraction tomography and dynamical diffraction: theory and implementation

Popis výsledku anglicky

Accurate structure refinement from electron-diffraction data is not possible without taking the dynamical-diffraction effects into account. A complete three-dimensional model of the structure can be obtained only from a sufficiently complete three-dimensional data set. In this work a method is presented for crystal structure refinement from the data obtained by electron diffraction tomography, possibly combined with precession electron diffraction. The principle of the method is identical to that used in X-ray crystallography: data are collected in a series of small tilt steps around a rotation axis, then intensities are integrated and the structure is optimized by least-squares refinement against the integrated intensities. In the dynamical theory ofdiffraction, the reflection intensities exhibit a complicated relationship to the orientation and thickness of the crystal as well as to structure factors of other reflections. This complication requires the introduction of several specia

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

—

Projekt

<a href="/cs/project/GA13-25747S" target="_blank" >GA13-25747S: Nanoobjekty ternárních silicid-germanidů přechodných kovů pro využití ve fotovoltaice: morfologie, strukturní a fázové vztahy, fyzikální vlastnosti</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Acta Crystallographica Section A: Foundations of Crystallography

ISSN

0108-7673

e-ISSN

—

Svazek periodika

71

Číslo periodika v rámci svazku

A71

Stát vydavatele periodika

DK - Dánské království

Počet stran výsledku

10

Strana od-do

235-244

Kód UT WoS článku

000350544400013

EID výsledku v databázi Scopus

2-s2.0-84924025545