Direct observation of incommensurate structure in Mo3Si

Ahmet Gulec; Xiaoxiang Yu; Matthew Taylor; John H. Perepezko; Laurence Marks

doi:10.1107/S2053273316012286

Direct observation of incommensurate structure in Mo₃Si

Ahmet Gulec, Xiaoxiang Yu, Matthew Taylor, John H. Perepezko, Laurence Marks^*

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo₃Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo₃Si has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.Mo₃Si with a small off-stoichiometry in composition has an incommensurate crystal structure with a non-cubic unit cell. Atom-probe tomography and atomic resolution Z-contrast imaging suggest that site substitution causes the development of split atomic positions, disorder and vacancies.

Original language	English (US)
Pages (from-to)	660-666
Number of pages	7
Journal	Acta Crystallographica Section A: Foundations and Advances
Volume	72
Issue number	6
DOIs	https://doi.org/10.1107/S2053273316012286
State	Published - Nov 1 2016

Keywords

MoSi
atom-probe tomography
electron diffraction
incommensurate structure
transmission electron microscopy

ASJC Scopus subject areas

Structural Biology
Biochemistry
Materials Science(all)
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry

Access to Document

10.1107/S2053273316012286

Cite this

@article{3469e277f9054f15aada5d8833109064,

title = "Direct observation of incommensurate structure in Mo3Si",

abstract = "Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo3Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo3Si has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.Mo3Si with a small off-stoichiometry in composition has an incommensurate crystal structure with a non-cubic unit cell. Atom-probe tomography and atomic resolution Z-contrast imaging suggest that site substitution causes the development of split atomic positions, disorder and vacancies.",

keywords = "MoSi, atom-probe tomography, electron diffraction, incommensurate structure, transmission electron microscopy",

author = "Ahmet Gulec and Xiaoxiang Yu and Matthew Taylor and Perepezko, {John H.} and Laurence Marks",

note = "Publisher Copyright: {\textcopyright} International Union of Crystallography, 2016.",

year = "2016",

month = nov,

day = "1",

doi = "10.1107/S2053273316012286",

language = "English (US)",

volume = "72",

pages = "660--666",

journal = "Acta Crystallographica Section A: Foundations and Advances",

issn = "0108-7673",

publisher = "John Wiley and Sons Inc.",

number = "6",

}

TY - JOUR

T1 - Direct observation of incommensurate structure in Mo3Si

AU - Gulec, Ahmet

AU - Yu, Xiaoxiang

AU - Taylor, Matthew

AU - Perepezko, John H.

AU - Marks, Laurence

N1 - Publisher Copyright: © International Union of Crystallography, 2016.

PY - 2016/11/1

Y1 - 2016/11/1

N2 - Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo3Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo3Si has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.Mo3Si with a small off-stoichiometry in composition has an incommensurate crystal structure with a non-cubic unit cell. Atom-probe tomography and atomic resolution Z-contrast imaging suggest that site substitution causes the development of split atomic positions, disorder and vacancies.

AB - Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo3Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo3Si has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.Mo3Si with a small off-stoichiometry in composition has an incommensurate crystal structure with a non-cubic unit cell. Atom-probe tomography and atomic resolution Z-contrast imaging suggest that site substitution causes the development of split atomic positions, disorder and vacancies.

KW - MoSi

KW - atom-probe tomography

KW - electron diffraction

KW - incommensurate structure

KW - transmission electron microscopy

UR - http://www.scopus.com/inward/record.url?scp=84994236063&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84994236063&partnerID=8YFLogxK

U2 - 10.1107/S2053273316012286

DO - 10.1107/S2053273316012286

M3 - Article

C2 - 27809205

AN - SCOPUS:84994236063

VL - 72

SP - 660

EP - 666

JO - Acta Crystallographica Section A: Foundations and Advances

JF - Acta Crystallographica Section A: Foundations and Advances

SN - 0108-7673

IS - 6

ER -