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Oxygen incorporation in Ti2AlC thin films studied by electron energy loss spectroscopy and ab initio calculations
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.ORCID iD: 0000-0001-5036-2833
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-2837-3656
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.ORCID iD: 0000-0001-9140-6724
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2013 (English)In: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 48, no 10, 3686-3691 p.Article in journal (Refereed) Published
Abstract [en]

Substitution of C with O in hexagonal inherently nanolaminated Ti2AlC has been studied experimentally and theoretically. Ti2Al(C1−x O x ) thin films with x ≤ 0.52 are synthesized by both cathodic arc deposition with the uptake of residual gas O, and solid-state reaction between understoichiometric TiC y and Al2O3(0001) substrates. The compositional analysis is made by analytical transmission electron microscopy, including electron energy loss spectroscopy. Furthermore, predictive ab initio calculations are performed to evaluate the influence of substitutional O on the shear stress at different strains for slip on the (0001) basal plane in the [−1010] and [1−210] directions.

Place, publisher, year, edition, pages
Springer Verlag (Germany) , 2013. Vol. 48, no 10, 3686-3691 p.
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-90742DOI: 10.1007/s10853-013-7165-4ISI: 000315518400009OAI: oai:DiVA.org:liu-90742DiVA: diva2:614712
Note

Funding Agencies|European Research Council under the European Community|258509227754|Swedish Research Council (VR)||

On the day of the defence date of the Licentiate Thesis, the status of this article was Manuscript.

Available from: 2013-04-19 Created: 2013-04-05 Last updated: 2017-12-06Bibliographically approved
In thesis
1. Thin Film Synthesis and Characterization of New MAX Phase Alloys
Open this publication in new window or tab >>Thin Film Synthesis and Characterization of New MAX Phase Alloys
2012 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

The objective of this Thesis is synthesis and characterization of new MAX phase alloys (M = early transition metal, A = A-group element, and X = C or N) based on incorporation of M and X elements previously not used in any known MAX phases. This is motivated by a search for optimized and unique materials properties, such as different magnetic states.

Two synthesis routes have been used to attain Ti2AlC1-xOx: deposition of Ti2AlCy under high vacuum conditions with residual gas acting as O source, and solid-state reactions following deposition of understoichiometric TiCy on Al2O3. Detailed local quantification by analytical transmission electron microscopy (TEM) including electron energy loss spectroscopy (EELS) shows up to 13 at.% O within high quality MAX phase structure. According to previous theoretical work, the range of experimentally obtained O content is enough to observe drastic changes in the materials anisotropic electronic properties. Calculations on effect of substitutional O on shear deformation have also been performed.

In a recent theoretical study by Dahlqvist et al., (Cr,Mn)2AlC has been predicted as a new stable magnetic nanoscale laminate. Inspired by this work, thin films of (Cr,Mn)2AlC, as well as of a neighboring system (Cr,Mn)2GeC, have been synthesized by magnetron sputtering. Incorporation of 8 and 12.5 at.% of Mn, respectively, has been detected by analytical TEM including EELS and energy dispersive X-ray spectroscopy (EDX). The total saturation moment of 0.36μB per Mn atom at 50 K has been measured by vibrating sample magnetometry (VSM) for a (Cr,Mn)2GeC sample, providing the first experimental evidence of a magnetic MAX phase.

The experimental results obtained in this Thesis provide a base for expanding the MAX phase definition and materials characteristics into new areas, towards further fundamental understanding and functionalization.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2012. 37 p.
Series
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 1538
National Category
Natural Sciences
Identifiers
urn:nbn:se:liu:diva-77775 (URN)LIU-TEK-LIC-2012:23 (Local ID)978-91-7519-868-2 (ISBN)LIU-TEK-LIC-2012:23 (Archive number)LIU-TEK-LIC-2012:23 (OAI)
Presentation
2012-06-14, Jordan-Fermi, Fysikhuset, Campus Valla, Linköpings universitet, Linköping, 10:15 (English)
Opponent
Supervisors
Available from: 2012-05-29 Created: 2012-05-29 Last updated: 2016-08-31Bibliographically approved
2. Synthesis and Characterization of New MAX Phase Alloys
Open this publication in new window or tab >>Synthesis and Characterization of New MAX Phase Alloys
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This Thesis explores synthesis and characterization of new MAX phase alloys (M = early transition metal, A = A-group element, and X = C or N), based on incorporation of M and X elements previously not considered. My primary focus is on M = Mn for attaining magnetic properties, and on X = O for potential tuning of the transport properties. A recent theoretical study predicted (Cr1-xMnx)2AlC MAX phase to be a stable magnetic nanolaminate. I aimed at realizing this material and through a combinatorial approach based on magnetron sputtering from elemental targets, the first experimental evidence of Mn incorporation (x = 0.16) in a MAX phase is presented. The corresponding MAX phase was also synthesized using cathodic arc film deposition (x = 0.20) and bulk synthesis methods (x = 0.06). The primary characterization techniques were X-ray diffraction and high-resolution (scanning) transmission electron microscopy in combination with energy dispersive X-ray spectroscopy and/or electron energy loss spectroscopy, to obtain a precise local quantification of the MAX phase composition and to perform lattice resolved imaging. For epitaxial film growth of (Cr1-xMnx)2AlC, evidence is presented for the formation of (Cr1-yMny)5Al8, exhibiting a bcc structure with an interplanar spacing matching exactly half a unit cell of the hexagonal MAX phase. Consequently, routinely performed X-ray diffraction symmetric θ-2θ measurements result in peak positions that are identical for the two phases. As (Cr1-yMny)5Al8 is shown to display a magnetic response, its presence needs to be taken into consideration when evaluating the magnetic properties of the MAX phase. Methods  to distinguish between (Cr1-yMny)5Al8 and (Cr1-xMnx)2AlC are also suggested. As different A-element in the MAX phase is theoretically predicted to influence phase stability, attainable level of Mn  incorporation, as well as magnetic properties, thin films of (Cr0.75Mn0.25)2GeC and bulk (Cr0.7Mn0.3)2GaC have also been synthesized. Vibrating sample magnetometry measurements display a magnetic response for all these materials, identifying (Cr,Mn)2AlC, (Cr,Mn)2GeC, and (Cr,Mn)2GaC as the first magnetic MAX phases. The results presented in this Thesis show that A = Al displays the highest magnetic transition temperature (well above room temperature) and A = Ga allows the highest Mn content. The attainable O incorporation in Ti2Al(C1-xOx)MAX phase was explored by arc deposition of Ti2AlC1-y thin films under high vacuum conditions, and solid-state reactions following deposition of understoichiometric TiCz on Al2O3. Ti2Al(C1-xOx)thin films with up to 13 at.% O (x = 0.52) were synthesized, and O was shown to occupy the C lattice site. The obtained O concentration is enough to allow future experimental investigations of the previously suggested (from theory) substantial change in anisotropic electronic properties with increasing O content. The experimental results obtained in this Thesis expand the MAX phase definition and the materials characteristics into new research areas, towards further fundamental understanding and functionalization.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2014. 58 p.
Series
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 1573
National Category
Natural Sciences
Identifiers
urn:nbn:se:liu:diva-104829 (URN)10.3384/diss.diva-104829 (DOI)978-91-7519-407-3 (ISBN)
Public defence
2014-03-20, Planck, Fysikhuset, Campus Valla, Linköpings universitet, Linköping, 10:15 (English)
Opponent
Supervisors
Available from: 2014-02-27 Created: 2014-02-27 Last updated: 2016-12-28Bibliographically approved

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Mockuté, AurelijaDahlqvist, MartinHultman, LarsO A Persson, PerRosén, Johanna

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