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Träfflista för sökning "WAKA:ref ;pers:(Eriksson Olle);pers:(Iusan Diana)"

Sökning: WAKA:ref > Eriksson Olle > Iusan Diana

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1.
  • Brucas, R., et al. (författare)
  • Magnetic anisotropy and evolution of ground-state domain structures in bcc Fe81Ni19/Co(001) superlattices
  • 2008
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : The American Physical Society. - 1098-0121 .- 1550-235X. ; 78:2, s. 024421-
  • Tidskriftsartikel (refereegranskat)abstract
    • The magnetic anisotropy and evolution of striped magnetic domain structures in bcc Fe81Ni19/Co(001) superlattices with the total thickness ranging from 85 to 1370 nm has been studied by magneto-optical Kerr effect and magnetic force microscopy. At a thickness of about 85 nm [25 bilayers (BL)] the domains appear as stripe domains, typical for perpendicular anisotropy films, with the weak cubic anisotropy of the in-plane magnetization component stabilizing the stripe direction. The magnetic domain period strongly depends on the thickness of the superlattice. As the thickness increases, the equilibrium magnetization orients at oblique angles with respect to the film plane and continuously varies with the thickness from in-plane to out-of-plane. We first apply a simple phenomenological model which correctly predicts the transition from in-plane to out-of-plane magnetization as well as increasing domain period and saturation field with increasing BL number. The results indicate the presence of partial flux-closure domains at the film surface with the tilt angle continuously varying with the superlattice thickness. By solving a linearized Landau–Lifshitz equation together with Maxwell’s equations in magnetostatic approximation for samples consisting of up to 1000 individual layers, we calculate the spin-wave dispersion and determine the stability conditions for the saturated ferromagnetic state. From these results the dependence of the saturation field on the number of layers is inferred and agrees well with the experiment. The uniaxial bulk anisotropy is attributed to distortions along the c axis and the results further show evidence for the presence of an easy-plane interface anisotropy in these samples.
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2.
  • Edström, Alexander, et al. (författare)
  • Magnetic properties of (Fe1-xCox)(2)B alloys and the effect of doping by 5d elements
  • 2015
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 92:17
  • Tidskriftsartikel (refereegranskat)abstract
    • We have explored, computationally and experimentally, the magnetic properties of (Fe1-xCox)(2)B alloys. Calculations provide a good agreement with experiment in terms of the saturation magnetization and the magnetocrystalline anisotropy energy with some difficulty in describing Co2B, for which it is found that both full potential effects and electron correlations treated within dynamical mean field theory are of importance for a correct description. The material exhibits a uniaxial magnetic anisotropy for a range of cobalt concentrations between x = 0.1 and x = 0.5. A simple model for the temperature dependence of magnetic anisotropy suggests that the complicated nonmonotonic behavior is mainly due to variations in the band structure as the exchange splitting is reduced by temperature. Using density functional theory based calculations we have explored the effect of substitutionally doping the transition metal sublattice by the whole range of 5d transition metals and found that doping by Re or W elements should significantly enhance the magnetocrystalline anisotropy energy. Experimentally, W doping did not succeed in enhancing the magnetic anisotropy due to formation of other phases. On the other hand, doping by Ir and Re was successful and resulted in magnetic anisotropies that are in agreement with theoretical predictions. In particular, doping by 2.5 at.% of Re on the Fe/Co site shows a magnetocrystalline anisotropy energy which is increased by 50% compared to its parent (Fe0.7Co0.3)(2)B compound, making this system interesting, for example, in the context of permanent magnet replacement materials or in other areas where a large magnetic anisotropy is of importance.
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3.
  • Eriksson, Olle, et al. (författare)
  • Ordering in diluted magnetic semiconductors : A magnetic percolation phenomenon (invited)
  • 2007
  • Ingår i: Journal of Applied Physics. - : AIP Publishing. - 0021-8979 .- 1089-7550. ; 101:9, s. 09H114-
  • Tidskriftsartikel (refereegranskat)abstract
    • We report on first principles calculations that describe the electronic structure, magnetic exchange interactions, and ordering temperatures of diluted magnetic semiconductors. The calculated interatomic exchange couplings are used in a Heisenberg Hamiltonian, and ordering temperatures are calculated with the use of Monte Carlo simulations. The accuracy of the method is analyzed by comparing observed and calculated ordering temperatures of several Mn and Cr doped III-V and II-VI semiconductors. The effect of magnetic percolation is discussed along with clustering phenomena and the effect of strong electron-electron interaction.
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4.
  • Haferman, H., et al. (författare)
  • Competing anisotropies in bcc Fe81Ni19/Co(001) superlattices
  • 2009
  • Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 94:7, s. 073102-073102-3
  • Tidskriftsartikel (refereegranskat)abstract
    • Amagnetization reorientation transition has been observed in Fe81Ni19/Co(001) superlattices bymeans of magneto-optical Kerr effect and magnetic force microscopy measurements.The transition is driven by the variation of the interfacedensity. First-principles calculations are combined with a linear stability analysisof the Landau–Lifshitz equation to clarify the mechanism that drivesthe transition. We are able to identify it as beingdriven by competing interface in-plane and uniaxial bulk out-of-plane anisotropies.The origin of the bulk anisotropy is attributed to tetragonaldistortions experimentally observed in these superlattices.
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5.
  • Hellsvik, Johan, et al. (författare)
  • General method for atomistic spin-lattice dynamics with first-principles accuracy
  • 2019
  • Ingår i: Physical Review B. - : American Physical Society. - 2469-9969 .- 2469-9950. ; 99:10
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a computationally efficient and general first-principles based method for spin-lattice simulations for solids and clusters. The method is based on a coupling of atomistic spin dynamics and molecular dynamics simulations, expressed through a spin-lattice Hamiltonian, where the bilinear magnetic term is expanded up to second order in displacement. The effect of first-order spin-lattice coupling on the magnon and phonon dispersion in bcc Fe is reported as an example, and we observe good agreement with previous simulations. We also illustrate the coupled spin-lattice dynamics method on a more conceptual level, by exploring dissipation-free spin and lattice motion of small magnetic clusters (a dimer, trimer, and tetramer). The method discussed here opens the door for a quantitative description and understanding of the microscopic origin of many fundamental phenomena of contemporary interest, such as ultrafast demagnetization, magnetocalorics, and spincaloritronics.
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6.
  • Herper, Heike C., et al. (författare)
  • Combining electronic structure and many-body theory with large databases : A method for predicting the nature of 4 f states in Ce compounds
  • 2017
  • Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 1:3
  • Tidskriftsartikel (refereegranskat)abstract
    • Recent progress in materials informatics has opened up the possibility of a new approach to accessing properties of materials in which one assays the aggregate properties of a large set of materials within the same class in addition to a detailed investigation of each compound in that class. Here we present a large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic structure and 4f-hybridization function of a large body of Ce compounds. We systematically study the electronic structure and 4f-hybridization function of a large body of Ce compounds with the goal of elucidating the nature of the 4f states and their interrelation with the measured Kondo energy in these compounds. The hybridization function has been analyzed for more than 350 data sets (being part of the IMS database) of cubic Ce compounds using electronic structure theory that relies on a full-potential approach. We demonstrate that the strength of the hybridization function, evaluated in this way, allows us to draw precise conclusions about the degree of localization of the 4f states in these compounds. The theoretical results are entirely consistent with all experimental information, relevant to the degree of 4f localization for all investigated materials. Furthermore, a more detailed analysis of the electronic structure and the hybridization function allows us to make precise statements about Kondo correlations in these systems. The calculated hybridization functions, together with the corresponding density of states, reproduce the expected exponential behavior of the observed Kondo temperatures and prove a consistent trend in real materials. This trend allows us to predict which systems may be correctly identified as Kondo systems. A strong anticorrelation between the size of the hybridization function and the volume of the systems has been observed. The information entropy for this set of systems is about 0.42. Our approach demonstrates the predictive power of materials informatics when a large number of materials is used to establish significant trends. This predictive power can be used to design new materials with desired properties. The applicability of this approach for other correlated electron systems is discussed.
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7.
  • Iusan, Diana, et al. (författare)
  • Effect of diffusion and alloying on the magnetic and transport properties of Fe/V/Fe trilayers
  • 2007
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 75:2, s. 024412-
  • Tidskriftsartikel (refereegranskat)abstract
    • The magnetic and transport properties of the Fe/V/Fe(001) trilayers were studied using the self-consistent Green's function technique based on the tight-binding linear muffin-tin orbital method in the atomic-sphere approximation. The coherent potential approximation was used to describe the effects of interdiffusion and alloying at the interfaces on the properties of the semi-infinite bcc Fe(001)/mFe/nV/mFe/Fe(001) trilayers. The electric conductance was calculated using the Kubo-Landauer formalism, in the current-perpendicular-to-plane geometry. It is shown that a dipole moment is created at the Fe/V interface due to the charge transfer from vanadium to iron, and a small induced magnetic moment is present in the first vanadium layer and is antiparallel to that of iron. The interlayer exchange coupling shows rapid oscillations for small spacer thicknesses, and the interdiffusion and alloying at the interface stabilize the ferromagnetic coupling. Moreover, the interdiffusion reduces the vanadium-induced magnetic moment and increases the iron magnetic moment at the interface. The giant magnetoresistance (GMR) ratio presents damped oscillations as a function of the vanadium spacer thickness. The interdiffusion and the presence of Mn impurities at the interface reduce considerably the GMR ratio and produce results that are in agreement with experimental data.
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8.
  • Iusan, Diana, et al. (författare)
  • Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3
  • 2013
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 87:1, s. 014403-
  • Tidskriftsartikel (refereegranskat)abstract
    • We explore how the ferroelectric polarization of antiferromagnetic E-type orthorhombic HoMnO3 can be increased, by investigating the effects of in-plane strain on both the magnetic properties and the ferroelectric polarization, using combined density functional theory calculations and a model Hamiltonian technique. Our results show that the net polarization is strongly enhanced under compressive strain, due to an increase of the electronic contribution to the polarization. In contrast, the ionic contribution is found to decrease. We identify the electron-lattice coupling, due to Jahn-Teller (JT) distortions, and its response to strain, to be responsible for the observed behavior. The JT-induced orbital ordering of occupied Mn-e(g)(1) electrons in alternating 3x(2)-r(2)/3y(2)-r(2) orbital states in the unstrained structure, changes under in-plane compressive strain to a mixture with x(2)-z(2)/y(2)-Z(2) states. The asymmetric hopping of e(g) electrons between Mn ions along zigzag spin chains (typical of the AFM-E spin configuration) is therefore enhanced under strain, explaining the large value of the polarization. Using a degenerate double-exchange model including electron-phonon interaction, we reproduce the change in the orbital ordering pattern. In this picture, the orbital ordering change is related to a change of the Berry phase of the e(g) electrons. This causes an increase of the electronic contribution to the polarization.
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9.
  • Iusan, Diana, et al. (författare)
  • Electronic structure and chemical and magnetic interactions in ZnO doped with Co and Al : Experiments and ab initio density-functional calculations
  • 2008
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 78:8, s. 085319-
  • Tidskriftsartikel (refereegranskat)abstract
    • We present results of electronic structure and magnetization measurements of Co:ZnO and Co:ZnO codoped with Al thin-film samples fabricated by solution-based methods together with ab initio electronic structure calculations. Electronic structure measurements indicate that the Co states lie close to the valence-band edge with pinning of the Fermi level primarily due to native defects yielding a heavily n-doped material. The findings in the electronic structure measurements are corroborated by results from theoretical calculations. We find that it is necessary to go beyond the local-density approximation to achieve agreement with experiments. Moreover, the theoretical calculations indicate a tendency for the formation of Co clusters, giving rise to an antiferromagnetic exchange interaction between the Co atoms. The magnetization measurements are well in line with the theoretical predictions, showing a dominating superparamagnetic behavior arising from small antiferromagnetic clusters containing uncompensated spins.
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10.
  • Iusan, Diana, et al. (författare)
  • Influence of defects on the magnetism of Mn-doped ZnO
  • 2007
  • Ingår i: Journal of Applied Physics. - : AIP Publishing. - 0021-8979 .- 1089-7550. ; 101:9, s. 09H101-
  • Tidskriftsartikel (refereegranskat)abstract
    • The properties of dilute magnetic semiconductors are usually strongly influenced by the defects present in the system. Ab initio calculations may provide valuable insight for the microscopic understanding of the interactions with defects. Here, we present studies of Mn-doped ZnO in the presence of several defects by a combined approach of ab initio electronic structure calculations using Korringa-Kohn-Rostoker-coherent potential approximation and Monte Carlo simulations (MCSs). Electronic structure and magnetic interactions have similar trends for wurtzite and zinc-blende crystal structures. A weak antiferromagnetic interaction has been found for 5% Mn doping in defect-free ZnO. Defects such as O vacancies and Zn interstitials lead to antiferromagnetic interactions between the Mn atoms, while Zn vacancies and oxygen substitution by nitrogen yield ferromagnetic interactions. As the concentration of Mn is low and the exchange interactions are short ranged, MCSs show small values of Curie temperatures (not more than 50 K). However, for a few cases with codoping of Mn and defects, we obtained higher Curie temperatures (around 130 K). Estimates of the Curie temperatures, assuming an average separation of the Mn atoms in the mean-field solution of Heisenberg model, are in very good agreement with the results obtained from MCS.
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