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Eriksson, Olle
Alternative names
Publications (10 of 480) Show all publications
Poluektov, M., Eriksson, O. & Kreiss, G. (2018). Coupling atomistic and continuum modelling of magnetism. Computer Methods in Applied Mechanics and Engineering, 329, 219-253
Open this publication in new window or tab >>Coupling atomistic and continuum modelling of magnetism
2018 (English)In: Computer Methods in Applied Mechanics and Engineering, ISSN 0045-7825, E-ISSN 1879-2138, Vol. 329, p. 219-253Article in journal (Refereed) Published
National Category
Computational Mathematics Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-331985 (URN)10.1016/j.cma.2017.10.010 (DOI)000422806100010 ()
Projects
eSSENCE
Available from: 2017-10-16 Created: 2017-10-20 Last updated: 2018-05-11Bibliographically approved
Paul, S., Iusan, D., Thunström, P., Kvashnin, Y., Hellsvik, J., Pereiro, M., . . . Eriksson, O. (2018). Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory. Physical Review B, 97(12), Article ID 125120.
Open this publication in new window or tab >>Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory
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2018 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 97, no 12, article id 125120Article in journal (Refereed) Published
Abstract [en]

Using the local density approximation plus dynamical mean-field theory (LDA+DMFT), we have computed the valence-band photoelectron spectra and magnetic excitation spectra of BiFeO3, one of the most studied multiferroics. Within the DMFT approach, the local impurity problem is tackled by the exact diagonalization solver. The solution of the impurity problem within the LDA+DMFT method for the paramagnetic and magnetically ordered phases produces result in agreement with the experimental data on electronic and magnetic structures. For comparison, we also present results obtained by the LDA+U approach which is commonly used to compute the physical properties of this compound. Our LDA+DMFT derived electronic spectra match adequately with the experimental hard x-ray photoelectron spectroscopy and resonant photoelectron spectroscopy for Fe 3d states, whereas the LDA+U method fails to capture the general features of the measured spectra. This indicates the importance of accurately incorporating the dynamical aspect of electronic correlation among Fe 3d orbitals to reproduce the experimental excitation spectra. Specifically, the LDA+DMFT derived density of states exhibits a significant amount of Fe 3d states at the position of Bi lone pairs, implying that the latter are not alone in the spectral scenario. This fact might modify our interpretation about the origin of ferroelectric polarization in this material. Our study demonstrates that the combination of orbital cross sections for the constituent elements and broadening schemes for the spectral functions are crucial to explain the detailed structures of the experimental electronic spectra. Our magnetic excitation spectra computed from the LDA+DMFT result conform well with the inelastic neutron scattering data.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC, 2018
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-351431 (URN)10.1103/PhysRevB.97.125120 (DOI)000427602000002 ()
Funder
Swedish Research CouncilCarl Tryggers foundation
Available from: 2018-06-01 Created: 2018-06-01 Last updated: 2018-06-01Bibliographically approved
Shaw, J. M., Delczeg-Czirjak, E. K., Edwards, E. R. J., Kvashnin, Y., Thonig, D., Schoen, M. A. W., . . . Nembach, H. T. (2018). Magnetic damping in sputter-deposited Co2MnGe Heusler compounds with A2, B2, and L2(1) orders: Experiment and theory. Physical Review B, 97(9), Article ID 094420.
Open this publication in new window or tab >>Magnetic damping in sputter-deposited Co2MnGe Heusler compounds with A2, B2, and L2(1) orders: Experiment and theory
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2018 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 97, no 9, article id 094420Article in journal (Refereed) Published
Abstract [en]

We show that very low values of the magnetic damping parameter can be achieved in sputter deposited polycrystalline films of Co2MnGe annealed at relatively low temperatures ranging from 240 degrees C to 400 degrees C. Damping values as low as 0.0014 are obtained with an intrinsic value of 0.0010 after spin-pumping contributions are considered. Of importance to most applications is the low value of inhomogeneous linewidth that yields measured linewidths of 1.8 and 5.1 mT at 10 and 40 GHz, respectively. The damping parameter monotonically decreases as the B2 order of the films increases. This trend is reproduced and explained by ab initio calculations of the electronic structure and damping parameter. Here, the damping parameter is calculated as the structure evolves from A2 to B2 to L2(1) orders. The largest decrease in the damping parameter occurs during the A2 to B2 transition as the half-metallic phase becomes established.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC, 2018
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-351424 (URN)10.1103/PhysRevB.97.094420 (DOI)000427798500002 ()
Funder
Swedish Research Council, 2016-04524Swedish Research Council, 2016-06955Swedish Research Council, 2013-08316Knut and Alice Wallenberg Foundation, 2012.0031Knut and Alice Wallenberg Foundation, 2013.0030
Available from: 2018-06-01 Created: 2018-06-01 Last updated: 2018-06-01Bibliographically approved
Keshavarz, S., Kontos, S., Wardecki, D., Kvashnin, Y., Pereiro, M., Panda, S. K., . . . Svedlindh, P. (2018). Magnetic properties of Ruddlesden-Popper phases Sr3-&: A combined experimental and theoretical investigation. Physical Review Materials, 2(4), Article ID 044005.
Open this publication in new window or tab >>Magnetic properties of Ruddlesden-Popper phases Sr3-&: A combined experimental and theoretical investigation
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2018 (English)In: Physical Review Materials, ISSN 2475-9953, Vol. 2, no 4, article id 044005Article in journal (Refereed) Published
Abstract [en]

We present a comprehensive study of the magnetic properties of Sr3-xYx(Fe1.25Ni0.75)O-7(-delta )(0 <= x <= 0.75). Experimentally, the magnetic properties are investigated using superconducting quantum interference device (SQUID) magnetometry and neutron powder diffraction (NPD). This is complemented by a theoretical study based on density functional theory as well as the Heisenberg exchange parameters. Experimental results show an increase in the Ned temperature (T-N) with an increase of Y concentrations and O occupancy. The NPD data reveal that all samples are antiferromagnetically ordered at low temperatures, which has been confirmed by our theoretical simulations for the selected samples. Our first-principles calculations suggest that the three-dimensional magnetic order is stabilized due to finite interlayer exchange couplings. The latter give rise to finite interlayer spin-spin correlations, which disappear above T-N.

National Category
Condensed Matter Physics Engineering and Technology
Identifiers
urn:nbn:se:uu:diva-354116 (URN)10.1103/PhysRevMaterials.2.044005 (DOI)000430385300001 ()
Funder
Swedish Research CouncilKnut and Alice Wallenberg Foundation
Available from: 2018-06-19 Created: 2018-06-19 Last updated: 2018-07-04Bibliographically approved
Huang, S., Holmstrom, E., Eriksson, O. & Vitos, L. (2018). Mapping the magnetic transition temperatures for medium- and high-entropy alloys. Intermetallics (Barking), 95, 80-84
Open this publication in new window or tab >>Mapping the magnetic transition temperatures for medium- and high-entropy alloys
2018 (English)In: Intermetallics (Barking), ISSN 0966-9795, E-ISSN 1879-0216, Vol. 95, p. 80-84Article in journal (Refereed) Published
Abstract [en]

Tailorable magnetic state near room temperature is very promising for several technological, including magnetocaloric applications. Here using first-principle alloy theory, we determine the Curie temperature (T-C) of a number of equiatomic medium- and high-entropy alloys with solid solution phases. All calculations are performed at the computed lattice parameters, which are in line with the available experimental data. Theory predicts a large crystal structure dependence of T-C, which explains the experimental observations under specified conditions. The sensitivity of the magnetic state to the crystal lattice is reflected by the magnetic exchange interactions entering the Heisenberg Hamiltonian. The analysis of the effect of composition on T-C allows researchers to explore chemistry-dependent trends and design new multi-component alloys with pre-assigned magnetic properties.

Keywords
Curie temperature, High-entropy alloys, First-principle calculations, Monte-Carlo simulations
National Category
Metallurgy and Metallic Materials Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-351640 (URN)10.1016/j.intermet.2018.01.016 (DOI)000428975100010 ()
Funder
Swedish Research CouncilVINNOVA, 2014-03374Swedish Foundation for Strategic Research Carl Tryggers foundation The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Swedish Energy Agency
Available from: 2018-06-07 Created: 2018-06-07 Last updated: 2018-06-07Bibliographically approved
Thonig, D., Kvashnin, Y., Eriksson, O. & Pereiro, M. (2018). Nonlocal Gilbert damping tensor within the torque-torque correlation model. Physical review materials, 2(1), Article ID 013801.
Open this publication in new window or tab >>Nonlocal Gilbert damping tensor within the torque-torque correlation model
2018 (English)In: Physical review materials, ISSN 2475-9953, Vol. 2, no 1, article id 013801Article in journal (Refereed) Published
Abstract [en]

An essential property of magnetic devices is the relaxation rate in magnetic switching, which depends strongly on the damping in the magnetization dynamics. It was recently measured that damping depends on the magnetic texture and, consequently, is a nonlocal quantity. The damping enters the Landau-Lifshitz-Gilbert equation as the phenomenological Gilbert damping parameter a, which does not, in a straightforward formulation, account for nonlocality. Efforts were spent recently to obtain Gilbert damping from first principles for magnons of wave vector q. However, to the best of our knowledge, there is no report about real-space nonlocal Gilbert damping aij. Here, a torque-torque correlation model based on a tight-binding approach is applied to the bulk elemental itinerant magnets and it predicts significant off-site Gilbert damping contributions, which could be also negative. Supported by atomistic magnetization dynamics simulations, we reveal the importance of the nonlocal Gilbert damping in atomistic magnetization dynamics. This study gives a deeper understanding of the dynamics of the magnetic moments and dissipation processes in real magnetic materials. Ways of manipulating nonlocal damping are explored, either by temperature, materials doping, or strain.

National Category
Physical Sciences
Identifiers
urn:nbn:se:uu:diva-341502 (URN)10.1103/PhysRevMaterials.2.013801 (DOI)000419105000001 ()
Available from: 2018-02-13 Created: 2018-02-13 Last updated: 2018-02-13Bibliographically approved
Eriksson, O. (2018). Searching for materials with reduced dimension. Nature Nanotechnology, 13(3), 180-181
Open this publication in new window or tab >>Searching for materials with reduced dimension
2018 (English)In: Nature Nanotechnology, ISSN 1748-3387, E-ISSN 1748-3395, Vol. 13, no 3, p. 180-181Article in journal, Editorial material (Other academic) Published
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-355828 (URN)10.1038/s41565-017-0060-4 (DOI)000427009000007 ()29402978 (PubMedID)
Available from: 2018-07-06 Created: 2018-07-06 Last updated: 2018-07-06Bibliographically approved
Schmitz-Antoniak, C., Schmitz, D., Warland, A., Darbandi, M., Haldar, S., Bhandary, S., . . . Wende, H. (2018). Suppression of the Verwey Transition by Charge Trapping. Annalen der Physik, 530(3), Article ID 1700363.
Open this publication in new window or tab >>Suppression of the Verwey Transition by Charge Trapping
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2018 (English)In: Annalen der Physik, ISSN 0003-3804, E-ISSN 1521-3889, Vol. 530, no 3, article id 1700363Article in journal (Refereed) Published
Abstract [en]

The Verwey transition in Fe3O4 nanoparticles with a mean diameter of 6.3 nm is suppressed after capping the particles with a 3.5 nm thick shell of SiO2. By X-ray absorption spectroscopy and its associated X-ray magnetic circular dichroism this suppression can be correlated to localized Fe2+ states and a reduced double exchange visible in different site-specific magnetization behavior in high magnetic fields. The results are discussed in terms of charge trapping at defects in the Fe3O4/ SiO2 interface and the consequent difficulties in the formation of the common phases of Fe3O4. By comparison to X-ray absorption spectra of bare Fe3O4 nanoparticles in course of the Verwey transition, particular changes in the spectral shape could be correlated to changes in the number of unoccupied d states for Fe ions at different lattice sites. These findings are supported by density functional theory calculations.

Place, publisher, year, edition, pages
WILEY-V C H VERLAG GMBH, 2018
Keywords
magnetite, nanoparticles, Verwey transition, X-ray absorption spectroscopy
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:uu:diva-354514 (URN)10.1002/andp.201700363 (DOI)000428350500010 ()
Funder
German Research Foundation (DFG), WE 2623/3-1
Available from: 2018-07-16 Created: 2018-07-16 Last updated: 2018-07-16Bibliographically approved
Kádas, K., Iusan, D., Hellsvik, J., Cedervall, J., Berastegui, P., Sahlberg, M., . . . Eriksson, O. (2017). AlM2B2 (M =Cr, Mn, Fe, Co, Ni): a group of nanolaminated materials. Journal of Physics: Condensed Matter, 29(15), Article ID 155402.
Open this publication in new window or tab >>AlM2B2 (M =Cr, Mn, Fe, Co, Ni): a group of nanolaminated materials
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2017 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 29, no 15, article id 155402Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
IOP PUBLISHING LTD, 2017
Keywords
nanolaminated ternary borides, phase stability, elastic constants, hardness, scanning electron microscopy
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-320624 (URN)10.1088/1361-648X/aa602a (DOI)000397921600002 ()28192279 (PubMedID)
Funder
Swedish Research Council
Available from: 2017-08-15 Created: 2017-08-15 Last updated: 2017-08-15Bibliographically approved
Herper, H. C., Ahmed, T., Wills, J. M., Di Marco, I., Bjorkman, T., Iusan, D., . . . Eriksson, O. (2017). Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds. PHYSICAL REVIEW MATERIALS, 1(3), Article ID 033802.
Open this publication in new window or tab >>Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds
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2017 (English)In: PHYSICAL REVIEW MATERIALS, ISSN 2475-9953, Vol. 1, no 3, article id 033802Article in journal (Refereed) Published
Abstract [en]

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.

National Category
Physical Sciences
Identifiers
urn:nbn:se:uu:diva-343334 (URN)10.1103/PhysRevMaterials.1.033802 (DOI)000416568900002 ()
Funder
Swedish Research Council
Available from: 2018-03-02 Created: 2018-03-02 Last updated: 2018-03-02Bibliographically approved
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