| 1. |
- Brucas, Rimantas, 1965, et al.
(författare)
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Tunneling and charging effects in discontinuous superparamagnetic Ni81Fe19/Al2O3 multilayers
- 2010
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Ingår i: Physical Review B - Condensed Matter and Materials Physics. - : American Physical Society. - 2469-9950 .- 2469-9969 .- 1098-0121 .- 1550-235X. ; 81:22, s. 224437-
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Tidskriftsartikel (refereegranskat)abstract
- The magnetic and transport properties of films based on discontinuous layers of Ni81Fe19 (Py) embedded in Al2O3 were investigated. In films with nominal Py thicknesses 6 and 8 angstrom superparamagnetic particles with median diameters D-med = 2.8 and 3.1 nm and distribution widths sigma(D)= 1.2 and 1.3 nm were formed. Current voltage (IU) curves were measured with the current perpendicular to the film plane. The analyses show that the charge transport occurs via tunneling; with the charging energy supplied by thermal fluctuations at high temperature, T >= 100 K, and by the electric field at low temperature, T
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| 2. |
- Caron, L., et al.
(författare)
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Magnetocrystalline anisotropy and the magnetocaloric effect in Fe2P
- 2013
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 88:9, s. 094440-
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Tidskriftsartikel (refereegranskat)abstract
- Magnetic and magnetocaloric properties of high-purity, giant magnetocaloric polycrystalline and single-crystalline Fe2P are investigated. Fe2P displays a moderate magnetic entropy change, which spans over 70 K and the presence of strong magnetization anisotropy proves this system is not fully itinerant but displays a mix of itinerant and localized magnetism. The properties of pure Fe2P are compared to those of giant magnetocaloric (Fe,Mn)2(P,A) (where A = As, Ge, Si) compounds helping understand the exceptional characteristics shown by the latter, which are so promising for heat pump and energy conversion applications.
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| 3. |
- Choudhury, Debraj, et al.
(författare)
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Tuning of dielectric properties and magnetism of SrTiO3 by site-specific doping of Mn
- 2011
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 84:12, s. 125124-
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Tidskriftsartikel (refereegranskat)abstract
- Combining experiments with first-principles calculations, we show that site-specific doping of Mn into SrTiO(3) has a decisive influence on the dielectric properties of these doped systems. We find that phonon contributions to the dielectric constant invariably decrease sharply on doping at any site. However, a sizable, random dipolar contribution only for Mn at the Sr site arises from a strong off-centric displacement of Mn in spite of Mn being in a non-d(0) state; this leads to a large dielectric constant at higher temperatures and gives rise to a relaxor ferroelectric behavior at lower temperatures. We also investigate magnetic properties in detail and critically reevaluate the possibility of a true multiglass state in such systems.
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| 4. |
- Costa, Marcio, et al.
(författare)
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Large magnetic anisotropy of Fe2P investigated via ab initio density functional theory calculations
- 2012
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 86:8, s. 085125-
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Tidskriftsartikel (refereegranskat)abstract
- We present an investigation of the large magnetic anisotropy of Fe2P, based on ab initio density functional theory calculations, with a full-potential linear muffin-tin orbital basis. We obtain a uniaxial magnetic anisotropy energy (MAE) of 664 mu eV/f.u., which is in decent agreement with experimental observations. Based on a band structure analysis the microscopic origin of the large magnetic anisotropy is explained. We also show that by straining the crystal structure, the MAE can be enhanced further.
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| 5. |
- Delczeg-Czirjak, Erna K., et al.
(författare)
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Magnetic exchange interactions in B-, Si-, and As-doped Fe2P from first-principles theory
- 2012
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 85:22, s. 224435-
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Tidskriftsartikel (refereegranskat)abstract
- Di-iron phosphide (Fe2P) is a parent system for a set of magnetocaloric materials. Although the magnetic ordering temperature (T-C = 215 K) of the stoichiometric composition is too low for room-temperature magnetic refrigeration, the partial replacement of P with B, Si, or As elements results in a steep increase in the magnetic ordering temperature. Doping leads to different equilibrium volumes and hexagonal axial ratios (c/a) within the same crystallographic phase over a wide concentration range. Here, using first principles theory, we decompose the change in the total magnetic exchange interaction upon doping into chemical and structural contributions, the latter including the c/a-ratio and volume effects. We demonstrate that for the investigated alloys the structural effect can be ascribed mainly to the decrease in the c/a ratio that strengthens the magnetic exchange interactions between the two Fe sublattices.
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| 6. |
- Delczeg-Czirjak, Erna Krisztina, et al.
(författare)
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Microscopic theory of magnetism in the magnetocaloric material Fe2P1-xTx (T = B and Si)
- 2012
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 86:4, s. 045126-
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Tidskriftsartikel (refereegranskat)abstract
- Landau phenomenological theory in combination with first-principles calculations was used to reveal the origin of the metamagnetic nature and the unusually strong dependence of the ordering temperature with doping of the Fe2P compound. We show that the magnetism of the two sublattices occupied by Fe atoms has an entwined codependency, which is strongly influenced by alloying. We furthermore demonstrate that a constrained disordered local moment approach combined with Monte Carlo simulations can only reproduce the experimental ordering temperatures in these technologically important prototype alloys for magnetocaloric refrigeration.
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| 7. |
- Eriksson, Therese, et al.
(författare)
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Crystal and magnetic structure of Mn3IrSi
- 2004
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 69:5, s. 054422-
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Tidskriftsartikel (refereegranskat)abstract
- A new ternary Ir-Mn-Si phase with stoichiometry Mn3IrSi has been synthesized and found to crystallize in the cubic AlAu4-type structure, space group P213 with Z=4, which is an ordered form of the β-Mn structure. The unit cell dimension was determined by x-ray powder diffraction to a=6.4973(3)Å. In addition to the crystal structure, we have determined the magnetic structure and properties using superconducting quantum interference device magnetometry and Rietveld refinements of neutron powder diffraction data. A complex noncollinear magnetic structure is found, with magnetic moments of 2.97(4)μB at 10 K only on the Mn atoms. The crystal structure consists of a triangular network built up by Mn atoms, on which the moments are rotated 120° around the triangle axes. The magnetic unit cell is the same as the crystallographic and carries no net magnetic moment. The Néel temperature was determined to be 210 K. A first-principles study, based on density functional theory in a general noncollinear formulation, reproduces the experimental results with good agreement. The observed magnetic structure is argued to be the result of frustration of antiferromagnetic couplings by the triangular geometry.
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| 8. |
- Eriksson, Therese, et al.
(författare)
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Cycloidal magnetic order in the compound IrMnSi
- 2005
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 71:17
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Tidskriftsartikel (refereegranskat)abstract
- A new compound, IrMnSi, has been synthesized, and its crystal structure and magnetic properties have been investigated by means of neutron powder diffraction, magnetization measurements, and first-principles theory. The crystal structure is found to be of the TiNiSi type (ordered Co2P, space groupPnma). The Mn-projected electronic states are situated at the Fermi level, giving rise to metallic binding, whereas a certain degree of covalent character is observed for the chemical bond between the Ir and Si atoms. A cycloidal, i.e., noncollinear, magnetic structure was observed below 460 K, with the propagation vector q=[0,0,0.4530(5)] at 10 K. The magnetism is dominated by large moments on the Mn sites, 3.8μB∕atom from neutron diffraction. First-principles theory reproduces the propagation vector of the experimental magnetic structure as well as the angles between the Mn moments. The calculations further result in a magnetic moment of 3.2μB for the Mn atoms, whereas the Ir and Si moments are negligible, in agreement with observations. A calculation that more directly incorporates electron-electron interactions improves the agreement between the theoretical and experimental magnetic moments. A band mechanism is suggested to explain the observed magnetic order.
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| 9. |
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| 10. |
- Hellsvik, Johan, et al.
(författare)
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Dynamics of diluted magnetic semiconductors from atomistic spin-dynamics simulations : Mn-doped GaAs
- 2008
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 78:14, s. 144419-
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Tidskriftsartikel (refereegranskat)abstract
- The dynamical behavior of the magnetism of diluted magnetic semiconductors (DMSs) has been investigated by means of atomistic spin-dynamics simulations. The conclusions drawn from the study are argued to be general for DMS systems in the low-concentration limit, although all simulations are done for 5% Mn-doped GaAs with various concentrations of As antisite defects. The magnetization curve M(T) and the Curie temperature T-C have been calculated and are found to be in good correspondence to the results from Monte Carlo simulations and experiments. Furthermore, equilibrium and nonequilibrium behaviors of the magnetic pair-correlation function have been extracted. The dynamics of DMS systems reveals a substantial short-ranged magnetic order even at temperatures at or above the ordering temperature, with a nonvanishing pair-correlation function extending up to several atomic shells. For the high As antisite concentrations the simulations show a short-ranged antiferromagnetic coupling and a weakened long-ranged ferromagnetic coupling. For sufficiently large concentrations we do not observe any long-ranged ferromagnetic correlation. A typical dynamical response shows that starting from a random orientation of moments, the spin correlation develops very fast (similar to 1 ps) extending up to 15 atomic shells. Above similar to 10 ps in the simulations, the pair correlation is observed to extend over some 40 atomic shells. The autocorrelation function has been calculated and compared with ferromagnets such as bcc Fe and spin-glass materials. We find no evidence in our simulations for a spin-glass behavior for any concentration of As antisites. Instead the magnetic response is better described as slow dynamics, at least when compared to that of a regular ferromagnet such as bcc Fe.
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