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An incommensurately modulated structure of eta '-phase of Cu.sub.3+x./sub.Si determined by quantitative electron diffraction tomography
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SYSNO ASEP 0365488 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title An incommensurately modulated structure of eta '-phase of Cu3+xSi determined by quantitative electron diffraction tomography Author(s) Palatinus, Lukáš (FZU-D) RID, ORCID
Klementová, Mariana (FZU-D) RID, ORCID
Dřínek, Vladislav (UCHP-M) RID, ORCID, SAI
Jarošová, Markéta (FZU-D) RID, ORCID
Petříček, Václav (FZU-D) RID, ORCID, SAISource Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 50, č. 8 (2011), s. 3743-3751Number of pages 9 s. Language eng - English Country US - United States Keywords copper silicide ; incommensurate structure ; electron diffraction tomography ; ab inition structure solution ; superspace Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GA203/09/1088 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z10100521 - FZU-D (2005-2011) AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000290457700067 DOI 10.1021/ic200102z Annotation The diffraction data of eta´-Cu(3+x)(Si,Ge) were collected by 3D quantitative electron diffraction tomography on a submicrometer-sized sample, and the structure was solved by the charge-flipping algorithm in superspace. The modulation functions of some atoms are very complicated and reach amplitudes comparable with the unit cell dimensions. The modulated structure can be described as sheets of Cu clusters separated by honeycomb layers of mixed Si/Ge positions. The shape of the Cu clusters in the sheets strongly varies with the modulation phase, and the predominant form is an icosahedron. The striving of the Cu layers to form icosahedral clusters is deemed to be the main driving force of the modulation. The combination of methods used in this work can be applied to other structures that are difficult to crystallize in large crystals and opens new perspectives, especially for investigations of aperiodic or otherwise complex metallic alloys. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2012
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