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Thin Film Synthesis of New Nanolaminated Ternary Carbides
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
2016 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

Ternary transition metal carbides with inherently nanolaminated crystal structure are a class of materials with typically higher damage tolerance, better machinability and lower brittleness compared to the binary counterparts, yet retaining their satisfactory electrical and thermal conductivity. Their interesting properties can be related to the laminated structure. Though studies of their properties based on calculations and bulk materials have suggested potential thin film applications, such as high temperature hard coatings and electrical contacts, a relatively small number of these phases have been synthesized as thin films.  Investigation of thin film deposition of these inherently nanolaminated materials further the understanding of their phase formation and crystal growth.

Motivated by predicted superconductivity and thermoelectric properties of molybdenum carbides and related layered molybdenum compounds, nanolaminated materials in the Mo-Ga-C ternary system were studied. Apart from the previously reported Mo2GaC, a new layered carbide, Mo2Ga2C, was synthesized in both thin film and bulk form with a postulated crystal structure related to Mo2GaC. The proposed structure was further validated by first principles calculations, showing higher stability compared to other crystal structure as well as other competing phases. The calculated lattice parameters were consistent with values from Rietveld analysis of X-ray and neutron diffraction patterns. In addition, both scanning transmission electron microscopy and X-ray photoelectron spectroscopy showed experimental evidence of the close structural-chemical relation between Mo2Ga2C and Mo2GaC.

Driven by a need of high temperature protective coatings in nuclear applications, Zr-based nanolaminated carbides have become more attractive. In this work, another nanolaminated carbide, Zr2Al3C4, was synthesized in thin film form by pulsed cathodic arc deposition. Formation of the Zr2Al3C4 phase and its competing phases was studied with X-ray diffraction of thin films deposited with varying incoming flux compositions, temperatures and substrate materials. On 4H-SiC(001) substrates, highly phase-pure epitaxial Zr2Al3C4 films were formed, whereas depositions on Al2O3(001) substrates resulted in competing phases. A growth behavior similar to that of nanolaminated Mn+1AXn phases (M is a group 3-7 transition metal; A is commonly a group 13-14 element; X is C or N; n = 1 - 3) was observed, despite the structuraland chemical differences between Zr2Al3C4 and MAX phases.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2016. , 41 p.
Series
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 1728
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:liu:diva-125289DOI: 10.3384/lic.diva-125289ISBN: 978-91-7685-960-5 (print)OAI: oai:DiVA.org:liu-125289DiVA: diva2:904660
Presentation
2015-10-02, Jordan/Fermi, J402, Fysikhuset, Campus Valla, Linköping, 10:15 (English)
Opponent
Supervisors
Note

The series name Linköping Studies in Science and Technology Licentiate Thesis is incorrect. Correct series name is Linköping Studies in Science and Technology. Thesis.

Available from: 2016-02-19 Created: 2016-02-19 Last updated: 2016-02-24Bibliographically approved
List of papers
1. Mo2Ga2C: a new ternary nanolaminated carbide
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2015 (English)In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 51, no 30, 6560-6563 p.Article in journal (Refereed) Published
Abstract [en]

We report the discovery of a new hexagonal Mo2Ga2C phase, wherein two Ga layers - instead of one - are stacked in a simple hexagonal arrangement in between Mo2C layers. It is reasonable to assume this compound is the first of a larger family.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2015
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-117813 (URN)10.1039/c5cc00980d (DOI)000352269000022 ()25768789 (PubMedID)
Note

Funding Agencies|Swedish Research Council [621-2011-4420, 642-2013-8020, 621-2014-4890]; Swedish Foundation for Strategic Research through the Synergy Grant FUNCASE Functional Carbides for Advanced Surface Engineering; Future Research Leaders 5 Program; ERC [258509]; Ningbo Natural Science Foundation [2013A610128]; National Natural Science Foundation of China [U1232136]; Knut and Alice Wallenberg Foundation

Available from: 2015-05-11 Created: 2015-05-08 Last updated: 2017-12-04
2. Structural and chemical determination of the new nanolaminated carbide Mo2Ga2C from first principles and materials analysis
Open this publication in new window or tab >>Structural and chemical determination of the new nanolaminated carbide Mo2Ga2C from first principles and materials analysis
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2015 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 99, 157-164 p.Article in journal (Refereed) Published
Abstract [en]

Following our recent discovery of a new nanolaminated carbide, Mo2Ga2C, we herein present a detailed structural and chemical analysis of this phase based on ab initio calculations, X-ray photoelectron spectroscopy, high resolution scanning transmission electron microscopy, and neutron powder diffraction. Calculations suggest an energetically and dynamically stable structure for C in the octahedral sites between the Mo layers, with Ga bilayers - stacked in a simple hexagonal arrangement - between the Mo2C layers. The predicted elastic properties are below those of the related nanolaminate Mo2GaC. The predicted structure, including lattice parameters and atomic positions, is experimentally confirmed. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD, 2015
Keyword
First principles; Phase stability; Nanolaminated material; Crystal structure; Mo2Ga2C
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-122193 (URN)10.1016/j.actamat.2015.07.063 (DOI)000362145400017 ()
Note

Funding Agencies|Swedish Research Council [621-2011-4420, 642-2013-8020, 621-2014-4890]; Swedish Foundation for Strategic Research through the Synergy Grant FUNCASE Functional Carbides for Advanced Surface Engineering; Future Research Leaders 5 Program; ERC [258509]; Knut and Alice Wallenberg Foundation

Available from: 2015-10-26 Created: 2015-10-23 Last updated: 2017-12-01
3. Synthesis and characterization of Zr2Al3C4 thin films
Open this publication in new window or tab >>Synthesis and characterization of Zr2Al3C4 thin films
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2015 (English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 595, 142-147 p.Article in journal (Refereed) Published
Abstract [en]

Zr2Al3C4 is an inherently nanolaminated carbide where layers of ZrC alternate with layers of Al3C2. Characterization of bulk samples has shown it has improved damage tolerance and oxidation resistance compared to its binary counterpart ZrC. Though a potential candidate for coatings applied for use in harsh environments, thin films of Zr2Al3C4 have not been reported. We have synthesized epitaxial Zr2Al3C4 thin films by pulsed cathodic arc deposition from three elemental cathodes, and have studied the effect of incident atomic flux ratio, deposition temperature, and choice of substrate on material quality. X-ray diffraction analysis showed that Zr2Al3C4 of the highest structural quality was obtained for growth on 4 H-SiC(001) substrate at 800 degrees C. Also, suppression of competing phases could be achieved on alpha-Al2O3(001) at elevated substrate temperatures. Very similar growth behavior to that of the well-known M(n+1)AX(n) phases - Al supersaturation, binary carbide intergrowth and high sensitivity to choice of substrate - indicates a strong connection between the two families of materials, despite their differences in structure and in chemistry. (C) 2015 Elsevier B.V. All rights reserved.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA, 2015
Keyword
Thin film; Cathodic arc deposition; Zr2Al3C4; Nanolaminate; Zirconium carbide
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-123798 (URN)10.1016/j.tsf.2015.10.079 (DOI)000365812400024 ()
Note

Funding Agencies|European Research Council under the European Community Seventh Framework Program (FP7)/ERC [258509]; KAW Foundation; Swedish Research Council (VR) [642-2013-8020, 621-2012-4425]; KAW Fellowship program

Available from: 2016-01-11 Created: 2016-01-11 Last updated: 2017-11-30Bibliographically approved

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