An incommensurately modulated structure of eta '-phase of Cu3+xSi determined by quantitative electron diffraction tomography
Result description
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 sheetsstrongly 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.
Keywords
copper silicideincommensurate structureelectron diffraction tomographyab inition structure solutionsuperspace
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/67985858:_____/11:00365488 RIV/61388980:_____/11:00440189
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
An incommensurately modulated structure of eta '-phase of Cu3+xSi determined by quantitative electron diffraction tomography
Original language description
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 sheetsstrongly 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.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
GA203/09/1088: Preparation of the nanostructured Si/Ge/C deposits
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Inorganic Chemistry
ISSN
0020-1669
e-ISSN
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Volume of the periodical
50
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
3743-3751
UT code for WoS article
000290457700067
EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BM - Solid-state physics and magnetism
Year of implementation
2011