| 1. |
- Kádas, Krisztina, et al.
(författare)
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AlM2B2 (M = Cr, Mn, Fe, Co, Ni) : a group of nanolaminated materials
- 2017
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 29:15
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Tidskriftsartikel (refereegranskat)abstract
- Combining theory with experiments, we study the phase stability, elastic properties, electronic structure and hardness of layered ternary borides AlCr2B2, AlMn2B2, AlFe2B2, AlCo2B2, and AlNi2B2. We find that the first three borides of this series are stable phases, while AlCo2B2 and AlNi2B2 are metastable. We show that the elasticity increases in the boride series, and predict that AlCr2B2, AlMn2B2, and AlFe2B2 are more brittle, while AlCo2B2 and AlNi2B2 are more ductile. We propose that the elasticity of AlFe2B2 can be improved by alloying it with cobalt or nickel, or a combination of them. We present evidence that these ternary borides represent nanolaminated systems. Based on SEM measurements, we demonstrate that they exhibit the delamination phenomena, which leads to a reduced hardness compared to transition metal mono-and diborides. We discuss the background of delamination by analyzing chemical bonding and theoretical work of separation in these borides.
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| 2. |
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| 3. |
- Borisov, Vladislav, et al.
(författare)
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Tuning skyrmions in B20 compounds by 4d and 5d doping
- 2022
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Ingår i: Physical Review Materials. - : American Physical Society (APS). - 2475-9953. ; 6:8
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Tidskriftsartikel (refereegranskat)abstract
- Skyrmion stabilization in novel magnetic systems with the B20 crystal structure is reported here, primarily based on theoretical results. The focus is on the effect of alloying on the 3d sublattice of the B20 structure by substitution of heavier 4d and 5d elements, with the ambition to tune the spin-orbit coupling and its influence on magnetic interactions. State-of-the-art methods based on density functional theory are used to calculate both isotropic and anisotropic exchange interactions. Significant enhancement of the Dzyaloshinskii-Moriya interaction is reported for 5d-doped FeSi and CoSi, accompanied by a large modification of the spin stiffness and spiralization. Micromagnetic simulations coupled to atomistic spin-dynamics and ab initio magnetic interactions reveal the spin-spiral nature of the magnetic ground state and field-induced skyrmions for all these systems. Especially small skyrmions similar to 50 nm are predicted for Co0.75Os0.25Si, compared to similar to 148 nm for Fe0.75Co0.25Si. Convex-hull analysis suggests that all B20 compounds considered here are structurally stable at elevated temperatures and should be possible to synthesize. This prediction is confirmed experimentally by synthesis and structural analysis of the Ru-doped CoSi systems discussed here, both in powder and in single-crystal forms.
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| 4. |
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| 5. |
- Cedervall, Johan, et al.
(författare)
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Influence of cobalt substitution on the magnetic properties of Fe5PB2
- 2018
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 57:2, s. 777-784
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Tidskriftsartikel (refereegranskat)abstract
- In this study the effects of cobalt substitutions in Fe5PB2 have been studied. An increased cobalt content reduces the magnetic exchange interactions. This has been concluded from a large, linear decrease in both the Curie temperature as well as the saturated magnetic moment. At high cobalt concentrations, cobalt prefers to order at the M(2) position in the crystal structure. A tunable Curie transition like this shows some prerequisites for magnetic cooling applications.The substitutional effects of cobalt in (Fe1–xCox)5PB2 have been studied with respect to crystalline structure and chemical order with X-ray diffraction and Mössbauer spectroscopy. The magnetic properties have been determined from magnetic measurements, and density functional theory calculations have been performed for the magnetic properties of both the end compounds, as well as the chemically disordered intermediate compounds. The crystal structure of (Fe1–xCox)5PB2 is tetragonal (space group I4/mcm) with two different metal sites, with a preference for cobalt atoms in the M(2) position (4c) at higher cobalt contents. The substitution also affects the magnetic properties with a decrease of the Curie temperature (TC) with increasing cobalt content, from 622 to 152 K for Fe5PB2 and (Fe0.3Co0.7)5PB2, respectively. Thus, the Curie temperature is dependent on composition, and it is possible to tune TC to a temperature near room temperature, which is one prerequisite for magnetic cooling materials.
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| 6. |
- Cedervall, Johan, et al.
(författare)
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Low temperature magneto-structural transitions in Mn3Ni20P6
- 2016
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Ingår i: Journal of Solid State Chemistry. - : Academic Press Inc.. - 0022-4596 .- 1095-726X. ; 237, s. 343-348
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Tidskriftsartikel (refereegranskat)abstract
- X-ray and neutron powder diffraction has been used to determine the crystal and magnetic structure of Mn3Ni20P6. The crystal structure can be described as cubic with space group Fm3¯m (225) without any nuclear phase transformation within studied temperature interval from room temperature down to 4 K. The magnetic structure of Mn3Ni20P6 is complex with two independent magnetic positions for the Mn atoms and the compound passes three successive magnetic phase transitions during cooling. At 30 K the spins of the Mn atoms on the Wyckoff 4a site (Mn1) order to form a primitive cubic antiferromagnetic structure with propagation vector k=(0 0 1). Between 29 and 26 K the Mn atoms on the Wyckoff 8c site (Mn2) order independently on already ordered Mn1 magnetic structure forming a commensurate antiferromagnetic structure with propagation vector k=(0 0 12) and below 26 K, both Mn positions order to form an incommensurate helical structure with propagation vector k=(0 0 ~0.45). Magnetization vs. temperature curve of Mn3Ni20P6 shows a steep increase indicating some magnetic ordering below 230 K and a sharp field dependent anomaly in a narrow temperature range around 30 K.
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| 7. |
- Cedervall, Johan, et al.
(författare)
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Magnetic and mechanical effects of Mn substitutions in AlFe2B2
- 2019
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Ingår i: Journal of Magnetism and Magnetic Materials. - : Elsevier BV. - 0304-8853 .- 1873-4766. ; 482, s. 54-60
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Tidskriftsartikel (refereegranskat)abstract
- The mechanical and magnetic properties of the newly discovered MAB-phase class of materials based upon AlFe2B2 were investigated. The samples were synthesised from stoichiometric amounts of all constituent elements. X-ray diffraction shows that the main phase is orthorhombic with an elongated b-axis, similar to AlFe2B2. The low hardness and visual inspection of the samples after deformation indicate that these compounds are deformed via a delamination process. When substituting iron in AlFe2B2 with manganese, the magnetism in the system goes from being ferro- to antiferromagnetic via a disordered ferrimagnetic phase exhibited by AlFeMnB2. Density functional theory calculations indicate a weakening of the magnetic interactions among the transitions metal ions as iron is substituted by manganese in AlFe2B2. The Mn-Mn exchange interactions in AlMn2B2 are found to be very small.
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| 8. |
- Cedervall, Johan
(författare)
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Magnetic Materials for Cool Applications : Relations between Structure and Magnetism in Rare Earth Free Alloys
- 2017
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- New and more efficient magnetic materials for energy applications are a big necessity for sustainable future. Whether the application is energy conversion or refrigeration, materials based on sustainable elements should be used, which discards all rare earth elements. For energy conversion, permanent magnets with high magnetisation and working temperature are needed whereas for refrigeration, the entropy difference between the non-magnetised and magnetised states should be large. For this reason, magnetic materials have been synthesised with high temperature methods and structurally and magnetically characterised with the aim of making a material with potential for large scale applications. To really determine the cause of the physical properties the connections between structure (crystalline and magnetic) and, mainly, the magnetic properties have been studied thoroughly.The materials that have been studied have all been iron based and exhibit properties with potential for the applications in mind. The first system, for permanent magnet applications, was Fe5SiB2. It was found to be unsuitable for a permanent magnet, however, an interesting magnetic behaviour was studied at low temperatures. The magnetic behaviour arose from a change in the magnetic structure which was solved by using neutron diffraction. Substitutions with phosphorus (Fe5Si1-xPxB2) and cobalt (Fe1-xCox)5PB2 were then performed to improve the permanent magnet potential. While the permanent magnetic potential was not improved with cobalt substitutions the magnetic transition temperature could be greatly controlled, a real benefit for magnetic refrigeration. For this purpose AlFe2B2 was also studied, and there it was found, conclusively, that the material undergoes a second order transition, making it unsuitable for magnetic cooling. However, the magnetic structure was solved with two different methods and was found to be ferromagnetic with all magnetic moments aligned along the crystallographic a-direction. Lastly, the origin of magnetic cooling was studied in Fe2P, and can be linked to the interactions between the magnetic and atomic vibrations.
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| 9. |
- Cedervall, Johan, et al.
(författare)
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Magnetic property changes of NdGa upon hydrogen absorption
- 2024
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Ingår i: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 109:13
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Tidskriftsartikel (refereegranskat)abstract
- Rare earth monogallide (REGa) Zintl phases are attractive for their properties in hydrogen storage and magnetic cooling. However, the magnetic effects upon hydrogen additions in REGa are not well understood. This study aims to explore the magnetic effects in REGaHx using SQUID magnetometry and neutron powder diffraction. To avoid challenges due to absorption and high incoherent scattering in the neutron diffraction experiments, the compound NdGaDx (x = 0, 0.9, or 1.6) was chosen for examination. It was found that NdGa exhibits two ferromagnetic structures below the Curie temperature of 42 K. Just below 42 K the magnetic moments are oriented along the crystallographic c axis, and at 20 K a spin reorientation occurs where the moments turn similar to 30 degrees toward the a axis. Upon partial deuteration (x = 0.9), the magnetization decreases and two magnetic phases are observed, one intermediate incommensurate phase, and one canted ferromagnetic phase with the net magnetization aligning along the b axis. For the full deuteride (x = 1.6) only one incommensurate magnetic phase is observed at low temperatures. Magnetometry also reveals that there are no isotope effects when absorbing H or D. The absorption of H or D changes the Nd-Nd distances as well as the electronic structure, which results in a drastic change in the magnetic properties as compared to NdGa.
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| 10. |
- Cedervall, Johan, et al.
(författare)
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Magnetic structure of the magnetocaloric compound AlFe2B2
- 2016
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Ingår i: Journal of Alloys and Compounds. - : Elsevier. - 0925-8388 .- 1873-4669. ; 664, s. 784-791
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Tidskriftsartikel (refereegranskat)abstract
- The crystal and magnetic structures of AlFe2B2 have been studied with a combination of X-ray and neutron diffraction and electronic structure calculations. The magnetic and magnetocaloric properties have been investigated by magnetisation measurements. The samples have been produced using high temperature synthesis and subsequent heat treatments. The compound crystallises in the orthorhombic crystal system Cmmm and it orders ferromagnetically at 285 K through a second order phase transition. At temperatures below the magnetic transition the magnetic moments align along the crystallographic a-axis. The magnetic entropy change from 0 to 800 kA/m was found to be - 1.3 J/K kg at the magnetic transition temperature.
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