| 1. |
- Dahlqvist, Martin, et al.
(författare)
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Complex magnetism in nanolaminated Mn2GaC
- 2014
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- We have used first-principles calculations and Heisenberg Monte Carlo simulations to search for the magnetic ground state of Mn2GaC, a recently synthesized magnetic nanolaminate. We have, independent on method, identified a range of low energy collinear as well as non-collinear magnetic configurations, indicating a highly frustrated magnetic material with several nearly degenerate magnetic states. An experimentally obtained magnetization of only 0.29 per Mn atom in Mn2GaC may be explained by canted spins in an antiferromagnetic configuration of ferromagnetically ordered sub-layers with alternating spin orientation, denoted AFM[0001]. Furthermore, low temperature X-ray diffraction show a new basal plane peak appearing upon a magnetic transition, which is consistent with the here predicted change in inter-layer spacing for the AFM[0001] configuration.
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| 2. |
- Dahlqvist, Martin, et al.
(författare)
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Magnetically driven anisotropic structural changes in the atomic laminate Mn2GaC
- 2016
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 93:1
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Tidskriftsartikel (refereegranskat)abstract
- Inherently layered magnetic materials, such as magnetic M(n+1)AX(n) (MAX) phases, offer an intriguing perspective for use in spintronics applications and as ideal model systems for fundamental studies of complex magnetic phenomena. The MAX phase composition M(n+1)AX(n) consists of M(n+1)AX(n) blocks separated by atomically thin A-layers where M is a transition metal, A an A-group element, X refers to carbon and/or nitrogen, and n is typically 1, 2, or 3. Here, we show that the recently discovered magnetic Mn2GaC MAX phase displays structural changes linked to the magnetic anisotropy, and a rich magnetic phase diagram which can be manipulated through temperature and magnetic field. Using first-principles calculations and Monte Carlo simulations, an essentially one-dimensional (1D) interlayer plethora of two-dimensioanl (2D) Mn-C-Mn trilayers with robust intralayer ferromagnetic spin coupling was revealed. The complex transitions between them were observed to induce magnetically driven anisotropic structural changes. The magnetic behavior as well as structural changes dependent on the temperature and applied magnetic field are explained by the large number of low energy, i.e., close to degenerate, collinear and noncollinear spin configurations that become accessible to the system with a change in volume. These results indicate that the magnetic state can be directly controlled by an applied pressure or through the introduction of stress and show promise for the use of Mn2GaC MAX phases in future magnetoelectric and magnetocaloric applications.
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| 3. |
- Ingason, Arni Sigurdur, et al.
(författare)
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A Nanolaminated Magnetic Phase: Mn2GaC
- 2014
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Ingår i: Materials Research Letters. - : Taylor & Francis. - 2166-3831. ; 2:2, s. 89-93
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Tidskriftsartikel (refereegranskat)abstract
- Layered magnetic materials are fascinating from the point of view of fundamental science as well as applications. Discoveries such as giant magnetoresistance (GMR) in magnetic multilayers have revolutionized data storage and magnetic recording, and concurrently initiated the search for new layered magnetic materials. One group of inherently nanolaminated compounds are the so called Mn+1AXn (MAX) phases. Due to the large number of isostructural compositions, researchers are exploring the wide range of interesting properties, and not primarily functionalization through optimization of structural quality. Magnetic MAX phases have been discussed in the literature, though this is hitherto an unreported phenomenon. However, such materials would be highly interesting, based on the attractive and useful properties attained with layered magnetic materials to date. Here we present a new MAX phase, (Cr1–xMnx)2GeC, synthesized as thin film in heteroepitaxial form, showing single crystal material with unprecedented structural MAX phase quality. The material was identified using first-principles calculations to study stability of hypothetical MAX phases, in an eort to identify a potentially magnetic material. The theory predicts a variety of magnetic behavior depending on the Mn concentration and Cr/Mn atomic conguration within the sublattice. The analyzed thin films display a magnetic signal well above room temperature and with partly ferromagnetic ordering. These very promising results open up a field of new layered magnetic materials, with high potential for electronics and spintronics applications.
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| 4. |
- Ingason, Arni Sigurdur, et al.
(författare)
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Magnetic Self-Organized Atomic Laminate from First Principles and Thin Film Synthesis
- 2013
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 110
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Tidskriftsartikel (refereegranskat)abstract
- he first experimental realization of a magnetic Mn+1AXn (MAX) phase, (Cr0.75Mn0.25)2GeC, is presented, synthesized as a heteroepitaxial single crystal thin film, exhibiting excellent structural quality. This self-organized atomic laminate is based on the well-known Cr2GeC, with Mn, a new element in MAX phase research, substituting Cr. The compound was predicted using first-principles calculations, from which a variety of magnetic behavior is envisaged, depending on the Mn concentration and Cr/Mn atomic configuration within the sublattice. The analyzed thin films display a magnetic signal at room temperature.
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| 5. |
- Karlsson, Linda, et al.
(författare)
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Graphene on graphene formation from PMMA residues during annealing
- 2017
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Ingår i: Vacuum. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0042-207X .- 1879-2715. ; 137, s. 191-194
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Tidskriftsartikel (refereegranskat)abstract
- PMMA is a common support material for transferring graphene between substrates. However, PMMA residues typically remain on the graphene sheet after the transfer process. A high temperature annealing process is commonly applied to reduce the amount of PMMA residues. It is also known that high temperature annealing of PMMA causes the PMMA to graphitize, which has been used as a method to synthesize graphene on metal substrates. In this letter we show the development of additional graphene layers during high temperature annealing, which occurs on a single, clean, graphene sheet. The additional graphene is nucleated from the decomposition products of PMMA residues. (C) 2017 Elsevier Ltd. All rights reserved.
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| 6. |
- Karlsson, Linda, et al.
(författare)
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Residue reduction and intersurface interaction on single graphene sheets
- 2016
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Ingår i: Carbon. - : Pergamon Press. - 0008-6223 .- 1873-3891. ; 100, s. 345-350
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Tidskriftsartikel (refereegranskat)abstract
- Large regions of pristine graphene are essential to applications which rely on the ideal graphene properties. Common methods for transferring chemical vapour deposition grown graphene to suitable substrates leaves metal oxide particles and poly(methyl methacrylate) (PMMA) residues on opposing surfaces, which degrade the properties. A common method to reduce the residues include annealing in vacuum or in argon, however, residues remain on the graphene sheet. The present investigation reports on the metal oxide particle ripening and PMMA decomposition on a single graphene sheet during in-situ annealing up to 1300 degrees C in a transmission electron microscope. It is shown that the PMMA residues are increasingly reduced at elevated temperatures although the reduction is strongly correlated to the metal oxide particle coverage on the opposing graphene surface. This is shown to occur as a consequence of an electrostatic interaction between the residues and that this prevents the establishment of large clean areas. (C) 2016 Elsevier Ltd. All rights reserved.
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| 7. |
- Mockuté, Aurelija, et al.
(författare)
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Age hardening in (Ti1-xAlx)B2+Delta thin films
- 2017
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Ingår i: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 127, s. 122-126
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Tidskriftsartikel (refereegranskat)abstract
- Thin films of (Ti0.71Al0.29)B2+1.08 have been deposited by magnetron sputtering. Post-deposition annealing at 1000 degrees C for 1 h results in increased hardness and elastic modulus, from 32 to 37 GPa and from 436 to 461 GPa, respectively. In both as-deposited and annealed states the films adhere well to the substrate, indicating no considerable internal stress. The initial high hardness is attributed to a columnar microstructure consisting of crystalline (Ti,Al)B-2 columns separated by an amorphous B matrix. The observed age hardening corresponds to phase separation within the (Ti,Al)B-2 columns including the formation of Ti-deficient crystallites within the grain interior upon annealing.
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| 8. |
- Mockuté, Aurelija, et al.
(författare)
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Materials synthesis, neutron powder diffraction, and first-principles calculations of (MoxSc1-x)(2)AlC i-MAX phase used as parent material for MXene derivation
- 2019
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Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 3:11
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Tidskriftsartikel (refereegranskat)abstract
- Research on low-dimensional materials has increased drastically in the last decade, with the discovery of two-dimensional transition metal carbides and nitrides (MXenes) produced by atom-selective chemical etching of laminated parent M(n+1)AX(n) (MAX) phases. Here, we apply density functional theory and subsequent materials synthesis and analysis to explore the phase stability and Mo/Sc intermixing on the M site in the chemically ordered quaternary i-MAX phase (MoxSc1-x)(2)AlC. Transmission electron microscopy confirms the theoretical predictions of preferential in-plane ordering of Mo and Sc, with the highest crystal quality obtained for the ideal Mo:Sc ratio of 2:1 (predicted as the most stable), as well as a retained i-MAX structure even for an increased relative Sc content, with Sc partially occupying Mo sites. The results are supported by refined neutron diffraction data, which show space group C2/c (no. 15), and a C occupancy of 1. Subsequent chemical etching produces MXene for x = 0.66, while for x = 0.33 and 0.5 no MXene is observed. These results demonstrate that a precise control of the i-MAX composition is crucial for derivation of MXene, with a MXene quality optimized for a Mo:Sc ratio of 2:1 with minimal intermixing between Mo and Sc.
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| 9. |
- Mockute, Aurelija, et al.
(författare)
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Nanolaminated (Cr,Mn)2AlC alloys by magnetron sputtering and ab initio calculations
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- We present an ab initio theoretical analysis of the temperature-dependent stability of hexagonal inherently nanolaminated (Cr1-xMnx)2AlC. The results indicate energetic stability over the composition range x = 0.0 to 0.5 for temperatures 600 to 900 K. Corresponding alloy thin films were grown by magnetron sputtering from four elemental targets. X-ray diffraction in combination with analytical transmission electron microscopy including electron energy-loss spectroscopy and energy dispersive X-ray spectroscopy analysis revealed that the films were epitaxial (0001)-oriented single crystals with x up to 0.16.
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| 10. |
- Mockuté, Aurelija, et al.
(författare)
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Oxygen incorporation in Ti2AlC thin films studied by electron energy loss spectroscopy and ab initio calculations
- 2013
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Ingår i: Journal of Materials Science. - : Springer Verlag (Germany). - 0022-2461 .- 1573-4803. ; 48:10, s. 3686-3691
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Tidskriftsartikel (refereegranskat)abstract
- 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.
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