| 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. |
- Ekman, Diana, et al.
(författare)
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Stratified genetic analysis reveals sex differences in MPO-ANCA-associated vasculitis
- 2023
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Ingår i: Rheumatology. - : Oxford University Press. - 1462-0324 .- 1462-0332. ; 62:9, s. 3213-3218
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Tidskriftsartikel (refereegranskat)abstract
- Objective: To identify and genetically characterize subgroups of patients with ANCA-associated vasculitides (AAV) based on sex and ANCA subtype. Methods: A previously established SNP dataset derived from DNA sequencing of 1853 genes and genotyping of 1088 Scandinavian cases with AAV and 1589 controls was stratified for sex and ANCA subtype and analysed for association with five top AAV SNPs. rs9274619, a lead variant at the HLA-DQB1/HLA-DQA2 locus previously associated with AAV positive for myeloperoxidase (MPO)-ANCA, was analysed for association with the cumulative disease involvement of ten different organ systems. Results: rs9274619 showed a significantly stronger association to MPO-ANCA-positive females than males [P = 2.0 × 10-4, OR = 2.3 (95% CI 1.5, 3.5)], whereas proteinase 3 (PR3)-ANCA-associated variants rs1042335, rs9277341 (HLA-DPB1/A1) and rs28929474 (SERPINA1) were equally associated with females and males with PR3-ANCA. In MPO-ANCA-positive cases, carriers of the rs9274619 risk allele were more prone to disease engagement of eyes [P = 0.021, OR = 11 (95% CI 2.2, 205)] but less prone to pulmonary involvement [P = 0.026, OR = 0.52 (95% CI 0.30, 0.92)]. Moreover, AAV with both MPO-ANCA and PR3-ANCA was associated with the PR3-ANCA lead SNP rs1042335 [P = 0.0015, OR = 0.091 (95% CI 0.0022, 0.55)] but not with rs9274619. Conclusions: Females and males with MPO-ANCA-positive AAV differ in genetic predisposition to disease, suggesting at least partially distinct disease mechanisms between the sexes. Double ANCA-positive AAV cases are genetically similar to PR3-ANCA-positive cases, providing clues to the clinical follow-up and treatment of these patients.
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| 3. |
- Meshkian, Rahele, et al.
(författare)
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W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering
- 2018
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Ingår i: Advanced Materials. - : Wiley. - 0935-9648 .- 1521-4095. ; 30:21
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Tidskriftsartikel (refereegranskat)abstract
- Structural design on the atomic level can provide novel chemistries of hybrid MAX phases and their MXenes. Herein, density functional theory is used to predict phase stability of quaternary i-MAX phases with in-plane chemical order and a general chemistry (W 2/3 M 2 1/3 ) 2 AC, where M 2 = Sc, Y (W), and A = Al, Si, Ga, Ge, In, and Sn. Of over 18 compositions probed, only two—with a monoclinic C2/c structure—are predicted to be stable: (W 2/3 Sc 1/3 ) 2 AlC and (W 2/3 Y 1/3 ) 2 AlC and indeed found to exist. Selectively etching the Al and Sc/Y atoms from these 3D laminates results in W 1.33 C-based MXene sheets with ordered metal divacancies. Using electrochemical experiments, this MXene is shown to be a new, promising catalyst for the hydrogen evolution reaction. The addition of yet one more element, W, to the stable of M elements known to form MAX phases, and the synthesis of a pure W-based MXene establishes that the etching of i-MAX phases is a fruitful path for creating new MXene chemistries that has hitherto been not possible, a fact that perforce increases the potential of tuning MXene properties for myriad applications.
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| 4. |
- Anasori, Babak, et al.
(författare)
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Experimental and theoretical characterization of ordered MAX phases Mo2TiAlC2 and Mo2Ti2AlC3
- 2015
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Ingår i: Journal of Applied Physics. - : AMER INST PHYSICS. - 0021-8979 .- 1089-7550. ; 118:9, s. 094304-
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Tidskriftsartikel (refereegranskat)abstract
- Herein, we report on the phase stabilities and crystal structures of two newly discovered ordered, quaternary MAX phases-Mo2TiAlC2 and Mo2Ti2AlC3-synthesized by mixing and heating different elemental powder mixtures of mMo:(3-m) Ti:1.1Al:2C with 1.5 less than= m less than= 2.2 and 2Mo: 2Ti:1.1Al:2.7C to 1600 degrees C for 4 h under Ar flow. In general, for m greater than= 2 an ordered 312 phase, (Mo2Ti) AlC2, was the majority phase; for mless than 2, an ordered 413 phase (Mo2Ti2)AlC3, was the major product. The actual chemistries determined from X-ray photoelectron spectroscopy (XPS) are Mo2TiAlC1.7 and Mo2Ti1.9Al0.9C2.5, respectively. High resolution scanning transmission microscopy, XPS and Rietveld analysis of powder X-ray diffraction confirmed the general ordered stacking sequence to be Mo-Ti-Mo-Al-Mo-Ti-Mo for Mo2TiAlC2 and Mo-Ti-Ti-Mo-Al-Mo-Ti-Ti-Mo for Mo2Ti2AlC3, with the carbon atoms occupying the octahedral sites between the transition metal layers. Consistent with the experimental results, the theoretical calculations clearly show that M layer ordering is mostly driven by the high penalty paid in energy by having the Mo atoms surrounded by C in a face-centered configuration, i.e., in the center of the Mn+1Xn blocks. At 331 GPa and 367 GPa, respectively, the Youngs moduli of the ordered Mo2TiAlC2 and Mo2Ti2AlC3 are predicted to be higher than those calculated for their ternary end members. Like most other MAX phases, because of the high density of states at the Fermi level, the resistivity measurement over 300 to 10K for both phases showed metallic behavior. (C) 2015 AIP Publishing LLC.
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| 5. |
- Eklund, Per, et al.
(författare)
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Discovery of the Ternary Nanolaminated Compound Nb2GeC by a Systematic Theoretical-Experimental Approach
- 2012
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 109:3, s. 035502-
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Tidskriftsartikel (refereegranskat)abstract
- Since the advent of theoretical materials science some 60 years ago, there has been a drive to predict and design new materials in silicio. Mathematical optimization procedures to determine phase stability can be generally applicable to complex ternary or higher-order materials systems where the phase diagrams of the binary constituents are sufficiently known. Here, we employ a simplex-optimization procedure to predict new compounds in the ternary Nb-Ge-C system. Our theoretical results show that the hypothetical Nb2GeC is stable, and excludes all reasonably conceivable competing hypothetical phases. We verify the existence of the Nb2GeC phase by thin film synthesis using magnetron sputtering. This hexagonal nanolaminated phase has a and c lattice parameters of similar to 3.24 angstrom and 12.82 angstrom.
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| 6. |
- Fashandi, Hossein, et al.
(författare)
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Ti2Au2C and Ti3Au2C2 formed by solid state reaction of gold with Ti2AlC and Ti3AlC2
- 2017
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Ingår i: Chemical Communications. - : Royal Society of Chemistry. - 1359-7345 .- 1364-548X. ; 53:69, s. 9554-9557
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Tidskriftsartikel (refereegranskat)abstract
- Incorporation of layers of noble metals in non-van der Waals layered materials may be used to form novel layered compounds. Recently, we demonstrated a high-temperature-induced exchange process of Au with Si in the layered phase Ti3SiC2, resulting in the formation of Ti3AuC2 and Ti3Au2C2. Here, we generalize this technique showing that Au/Ti2AlC and Au/Ti3AlC2 undergo an exchange reaction at 650 [degree]C to form Ti2Au2C and Ti3Au2C2 and determine their structures by electron microscopy, X-ray diffraction, and ab initio calculations. These results imply that noble-metal-containing layered phases should be possible to synthesize in many systems. The metal to be introduced should be inert to the transition-metal carbide layers, and exhibit negative heat of mixing with the initial A element in a liquid phase or two-phase liquid/solid region at the annealing temperature.
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| 7. |
- Lai, Chung-Chuan, et al.
(författare)
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Structural and chemical determination of the new nanolaminated carbide Mo2Ga2C from first principles and materials analysis
- 2015
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Ingår i: Acta Materialia. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-6454 .- 1873-2453. ; 99, s. 157-164
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Tidskriftsartikel (refereegranskat)abstract
- 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.
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| 8. |
- AHLBERG, PER, et al.
(författare)
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Integrated Cambrian biostratigraphy and carbon isotope chemostratigraphy of the Grönhögen-2015 drill core, Öland, Sweden
- 2019
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Ingår i: Geological Magazine. - 0016-7568. ; 156:06, s. 935-949
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Tidskriftsartikel (refereegranskat)abstract
- The Grönhögen-2015 core drilling on southern Öland, Sweden, penetrated 50.15 m of Cambrian Series 3, Furongian and Lower–Middle Ordovician strata. The Cambrian succession includes the Äleklinta Member (upper Stage 5) of the Borgholm Formation and the Alum Shale Formation (Guzhangian–Tremadocian). Agnostoids and trilobites allowed subdivision of the succession into eight biozones, in ascending order: the uppermost Cambrian Series 3 (Guzhangian) Agnostus pisiformis Zone and the Furongian Olenus gibbosus, O. truncatus, Parabolina spinulosa, Sphaerophthalmus? flagellifer, Ctenopyge tumida, C. linnarssoni and Parabolina lobata zones. Conspicuous lithologic unconformities and the biostratigraphy show that the succession is incomplete and that there are several substantial gaps of variable magnitudes. Carbon isotope analyses (δ13Corg) through the Alum Shale Formation revealed two globally significant excursions: the Steptoean Positive Carbon Isotope Excursion (SPICE) in the lower–middle Paibian Stage, and the negative Top of Cambrian Excursion (TOCE), previously referred to as the HERB Event, in Stage 10. The δ13Corg chemostratigraphy is tied directly to the biostratigraphy and used for an improved integration of these excursions with the standard agnostoid and trilobite zonation of Scandinavia. Their relations to that of coeval successions in Baltoscandia and elsewhere are discussed. The maximum amplitudes of the SPICE and TOCE in the Grönhögen succession are comparable to those recorded in drill cores retrieved from Scania, southern Sweden. The results of this study will be useful for assessing biostratigraphic relations between shale successions and carbonate facies on a global scale.
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| 9. |
- Ahlberg, Per, et al.
(författare)
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Miaolingian (Cambrian) trilobite biostratigraphy and carbon isotope chemostratigraphy in the Tingskullen drill core, Öland, Sweden
- 2021
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Ingår i: Estonian Journal of Earth Sciences. - : Estonian Academy Publishers. - 1736-7557 .- 1736-4728. ; 70:1, s. 18-35
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Tidskriftsartikel (refereegranskat)abstract
- The Cambrian succession of the Tingskullen drill core from northern Öland comprises Cambrian Series 2 and Miaolingian (Wuliuan Stage) siliciclastic strata. The major portion of the succession is represented by the Miaolingian Borgholm Formation, which, in ascending order, is subdivided into the Mossberga, Bårstad and Äleklinta members. The Äleklinta Member is barren of body fossils, whereas the Mossberga and Bårstad members are moderately to highly fossiliferous and biostratigraphically reasonably well constrained. Trilobites and agnostoids from the Bårstad Member are indicative of the Acadoparadoxides pinus Zone.The Mossberga Member has not yielded any zonal guide fossils but is tentatively assigned to the Eccaparadoxides insularis Zone. A δ13Corg curve throughout the Borgholm Formation shows a general positive trend upsection without any distinctive excursion, suggesting that the Wuliuan Acadoparadoxides (Baltoparadoxides) oelandicus Superzone (the ‘Oelandicus beds’) of Öland is younger than the negative Redlichiid–Olenellid Extinction Carbon isotope Excursion (ROECE), which is known from near the top of Stage 4 and close to the traditional ‘Lower–Middle Cambrian boundary’ in several parts of the world.
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| 10. |
- Andersson, Per S., et al.
(författare)
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The isotopic composition of Nd in a boreal river : a reflection of selective weathering and colloidal transport
- 2001
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Ingår i: Geochimica et Cosmochimica Acta. - 0016-7037 .- 1872-9533. ; 65:4, s. 521-527
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Tidskriftsartikel (refereegranskat)abstract
- In this study the Nd concentrations (CNd) from 18 months of weekly sampling of filtered water (<0.45 μm) in the Kalix River, northern Sweden, are reported with εNd(0) and 147Sm/144Nd ratios determined in samples representing major flow events as well as maxima and minima in CNd. The CNd varies by a factor of ten, between 200 pmol/L to 2100 pmol/L, and there is a strong relation between high discharge and high CNd. The Nd in the Kalix River is mainly transported on particles (>90%), dominated by a colloidal phase primarily composed of organic C and Fe. The εNd(0) and 147Sm/144Nd only vary within a narrow range, -27.1 to -24.8 and 0.103 to 0.110 respectively, with no obvious relationship to CNd and discharge. The εNd(0) and 147Sm/144Nd in the river water is significantly lower than in the unweathered till and average bedrock in the catchment and show a closer resemblance with the isotopic characteristics found in humic substances and plant material. These data show that the isotopic composition of Nd exported from a large boreal drainage basin does not directly reflect that of the bulk bedrock in the catchment. The isotopic composition is controlled by selective weathering and the Nd transport is dominated by organic colloidal particles.
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