| 1. |
- Kádas, Krisztina, et al.
(author)
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AlM2B2 (M = Cr, Mn, Fe, Co, Ni) : a group of nanolaminated materials
- 2017
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In: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 29:15
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Journal article (peer-reviewed)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. |
- Cedervall, Johan, et al.
(author)
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Influence of cobalt substitution on the magnetic properties of Fe5PB2
- 2018
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In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 57:2, s. 777-784
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Journal article (peer-reviewed)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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| 3. |
- Cedervall, Johan, et al.
(author)
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Low temperature magneto-structural transitions in Mn3Ni20P6
- 2016
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In: Journal of Solid State Chemistry. - : Academic Press Inc.. - 0022-4596 .- 1095-726X. ; 237, s. 343-348
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Journal article (peer-reviewed)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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| 4. |
- Cedervall, Johan, et al.
(author)
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Magnetic and mechanical effects of Mn substitutions in AlFe2B2
- 2019
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In: Journal of Magnetism and Magnetic Materials. - : Elsevier BV. - 0304-8853 .- 1873-4766. ; 482, s. 54-60
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Journal article (peer-reviewed)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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| 5. |
- Cedervall, Johan
(author)
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Magnetic Materials for Cool Applications : Relations between Structure and Magnetism in Rare Earth Free Alloys
- 2017
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Doctoral thesis (other academic/artistic)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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| 6. |
- Cedervall, Johan, et al.
(author)
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Magnetic structure of the magnetocaloric compound AlFe2B2
- 2016
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In: Journal of Alloys and Compounds. - : Elsevier. - 0925-8388 .- 1873-4669. ; 664, s. 784-791
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Journal article (peer-reviewed)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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| 7. |
- Cedervall, Johan, et al.
(author)
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Magnetocaloric effect in Fe2 P: Magnetic and phonon degrees of freedom
- 2019
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In: Physical Review B. - 2469-9969 .- 2469-9950. ; 99:17
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Journal article (peer-reviewed)abstract
- Devices based on magnetocaloric materials provide great hope for environmentally friendly and energy efficient cooling that does not rely on the use of harmful gasses. Fe2P based compounds are alloys that have shown great potential for magnetocaloric devices. The magnetic behavior in Fe2P is characterized by a strong magnetocaloric effect that coexists with a first-order magnetic transition (FOMT). Neutron diffraction and inelastic scattering, Mossbauer spectroscopy, and first-principles calculations have been used to determine the structural and magnetic state of Fe2P around the FOMT. The results reveal that ferromagnetic moments in the ordered phase are perturbed at the FOMT such that the moments cant away from the principle direction within a small temperature region. The acoustic-phonon modes reveal a temperature-dependent nonzero energy gap in the magnetically ordered phase that falls to zero at the FOMT. The interplay between the FOMT and the phonon energy gap indicates hybridization between magnetic modes strongly affected by spin-orbit coupling and phonon modes leading to magnon-phonon quasiparticles that drive the magnetocaloric effect.
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| 8. |
- Cedervall, Johan, et al.
(author)
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Magnetostructural transition in Fe5SiB2 observed with neutron diffraction
- 2016
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In: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 235, s. 113-118
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Journal article (peer-reviewed)abstract
- The crystal and magnetic structure of Fe5SiB2 has been studied by a combination of X-ray and neutron diffraction. Also, the magnetocrystalline anisotropy energy constant has been estimated from magnetisation measurements. High quality samples have been prepared using high temperature synthesis and subsequent heat treatment protocols. The crystal structure is tetragonal within the space group I4/mcm and the compound behaves ferromagnetically with a Curie temperature of 760 K. At 172 K a spin reorientation occurs in the compound and the magnetic moments go from aligning along the c-axis (high T) down to the ab-plane (low T). The magnetocrystalline anisotropy energy constant has been estimated to 0.3 MJ/m3 at 300 K.
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| 9. |
- Cedervall, Johan, et al.
(author)
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Mössbauer study of the magnetocaloric compound AlFe2B2
- 2016
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In: Hyperfine Interactions. - : Springer Science and Business Media LLC. - 0304-3843 .- 1572-9540. ; 237
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Journal article (peer-reviewed)abstract
- Mössbauer spectroscopy in the ferromagnetic AlFe2B2 reveals Tc=299 K and shows good agreement with magnetic measurements. The crystals are plate-shaped. The flakes are found from X-ray diffraction to be in the crystallographic ac-plane in the orthorhombic system. The axes of the principle electric field gradient tensor are, by symmetry, colinear with the crystal a-, b- and c-axes. By using information about the quadrupole splitting and line asymmetry in the paramagnetic regime together with the quadrupole shift of the resonance lines in the ferromagnetic regime the magnetic hyperfine field direction is found to be in the ab-plane having an angle =40° to the b-axis.
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| 10. |
- Cedervall, Johan, et al.
(author)
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On the structural and magnetic properties of the double perovskite Nd2NiMnO6Nd2NiMnO6
- 2019
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In: Journal of Materials Science: Materials in Electronics. - : Springer Science and Business Media LLC. - 1573-482X .- 0957-4522. ; 30:17, s. 16571-16578
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Journal article (peer-reviewed)abstract
- The structural, electronic and magnetic properties of phase pure and stoichiometric samples of the double perovskite Nd 2NiMnO 6 have been investigated with a combination of X-ray and neutron diffraction, X-ray photoelectron spectroscopy and magnetometry. It is found that the monoclinic space group P2 1/ n best describes the crystal structure of Nd 2NiMnO 6. Photoectron spectroscopy revels a mixed valence of the transition metal sites where Ni has 3+/2+ oxidation states and Mn has 3+/4+. The compound orders ferromagnetically at ∼195 K. The magnetic structure was determined from the refinement of the neutron diffraction data. The results suggests that the B-site magnetic moments align along the crystallographic a-direction.
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