Search Results - "Klautau, A B"

Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe by Kvashnin, Y O, Cardias, R, Szilva, A, Di Marco, I, Katsnelson, M I, Lichtenstein, A I, Nordström, L, Klautau, A B, Eriksson, O

“…By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic…”
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First-principles Dzyaloshinskii–Moriya interaction in a non-collinear framework by Cardias, R., Szilva, A., Bezerra-Neto, M. M., Ribeiro, M. S., Bergman, A., Kvashnin, Y. O., Fransson, J., Klautau, A. B., Eriksson, O., Nordström, L.

“…We have derived an expression of the Dzyaloshinskii–Moriya interaction (DMI), where all the three components of the DMI vector can be calculated independently,…”
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The Bethe-Slater curve revisited; new insights from electronic structure theory by Cardias, R., Szilva, A., Bergman, A., Marco, I. Di, Katsnelson, M. I., Lichtenstein, A. I., Nordström, L., Klautau, A. B., Eriksson, O., Kvashnin, Y. O.

“…The Bethe-Slater (BS) curve describes the relation between the exchange coupling and interatomic distance. Based on a simple argument of orbital overlaps, it…”
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Charging behavior of ZnMn2O4 and LiMn2O4 in a zinc- and lithium-ion battery: an ab initio study by Sousa, O M, Assali, L V C, Lalic, M V, Araujo, C M, Eriksson, O, Petrilli, H M, Klautau, A B

“…In the field of sustainable energy storage systems, zinc-ion batteries (ZIB) employing aqueous electrolytes have emerged as viable successors to the widely…”
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Spin-orbit coupling and spin waves in ultrathin ferromagnets: The spin-wave Rashba effect by Costa, A. T., Muniz, R. B., Lounis, S., Klautau, A. B., Mills, D. L.

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Magnetic properties of Co nanowires on Cu(001) surfaces by KLAUTAU, A. B, FROTA-PESSOA, S

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Ab initio calculation of the magnetocrystalline anisotropy and spin and orbital moments of a bcc Co(001) surface by KLAUTAU, A. B, ERIKSSON, O

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Orbital moments of 3d adatoms and Co nanostructures on Cu(0 0 1) surfaces by Klautau, A.B., Frota-Pessôa, S.

“…We use ab initio calculations to investigate spin and orbital moments of 3d transition-metal adatoms and Co nanostructures on Cu(0 0 1) surfaces. For Fe and Co…”
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Magnetism of Co clusters embedded in Cu( [formula omitted]) surfaces: an ab initio study by Klautau, A.B., Frota-Pessôa, S.

“…We report calculations of electronic structure and magnetic properties of Co clusters (up to 50 atoms) embedded in Cu( 0 0 1 ) surfaces, performed using the…”
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Charging behavior of ZnMn 2 O 4 and LiMn 2 O 4 in a zinc- and lithium-ion battery: an ab initio study by Sousa, O M, Assali, L V C, Lalic, M V, Araujo, C M, Eriksson, O, Petrilli, H M, Klautau, A B

“…Abstract In the field of sustainable energy storage systems, zinc-ion batteries (ZIB) employing aqueous electrolytes have emerged as viable successors to the…”
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Erratum: The Bethe-Slater curve revisited; new insights from electronic structure theory by Cardias, R., Szilva, A., Bergman, A., Marco, I. Di, Katsnelson, M. I., Lichtenstein, A. I., Nordström, L., Klautau, A. B., Eriksson, O., Kvashnin, Y. O.

“…A correction to this article has been published and is linked from the HTML version of this paper. The error has been fixed in the paper…”
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First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface by Igarashi, R. N., Klautau, A. B., Muniz, R. B., Sanyal, B., Petrilli, H. M.

“…The magnetic properties of Mn nanostructures on the Fe(001) surface have been studied using the noncollinear first-principles real space-linear muffin-tin…”
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Dimensionality effects on magnetic properties of FexCo1-x nanoclusters on Pt(111) by Miranda, I.P., Igarashi, R.N., Klautau, A.B., Petrilli, H.M.

“…•FexCo1−x nanostructures on Pt(111) are investigated by ab initio DFT calculations.•Dimensionality and stoichiometry trends on the magnetic properties are here…”
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Magnetism of Fe impurities and adatoms on Pd(0 0 1) surfaces by Klautau, A.B, Peduto, P.R, Frota-Pessôa, S

“…It is well known that the giant moment associated with the substitutional Fe impurities in Pd can be understood in terms of a polarization cloud consisting of…”
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Band filling effects on the emergence of magnetic skyrmions: Pd/Fe and Pd/Co bilayers on Ir(111) by Miranda, I. P, Klautau, A. B, Bergman, A, Petrilli, H. M

“…Structurally similar transition metal systems can have widely differing magnetic properties. A prime example of this is found for bilayers on Ir(111), where…”
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First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework by Cardias, R, Szilva, A, Bezerra-Neto, M. M, Ribeiro, M. S, Bergman, A, Kvashnin, Y. O, Fransson, J, Klautau, A. B, Eriksson, O, Nordström, L

“…Scientific Reports volume 10, Article number: 20339 (2020) We have derived an expression of the Dzyaloshinskii-Moriya (DM) interaction, where all the three…”
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First-principles calculations for interstitial Fe impurities in hcp Sc, Y, Ti, and Zr by FROTA-PESSOA, S, DE MELLO, L. A, PETRILLI, H. M, KLAUTAU, A. B

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Mechanisms behind large Gilbert damping anisotropies by Miranda, I. P, Klautau, A. B, Bergman, A, Thonig, D, Petrilli, H. M, Eriksson, O

“…Phys. Rev. B 103, 220405 (2021) A method with which to calculate the Gilbert damping parameter from a real-space electronic structure method is reported here…”
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Ab initio investigation of ZnV 2 O 4 , ZnV 2 S 4 , and ZnV 2 Se 4 as cathode materials for aqueous zinc-ion batteries by Sousa, O. M., Sorgenfrei, Felix, Carvalho, F. O., Assali, L. V. C., Lalic, M. V., Thunström, Patrik, Araujo, C. Moyses, Eriksson, Olle, Petrilli, H. M., Klautau, A. B.

“…Zinc-ion batteries (ZIBs) employing aqueous electrolytes have emerged as one of the most promising alternatives to lithium-ion batteries (LIBs). Nonetheless,…”
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Ab initio investigation of ZnV2O4, ZnV2S4, and ZnV2Se4 as cathode materials for aqueous zinc-ion batteries by Sousa, O.M., Sorgenfrei, F., Carvalho, F.O., Assali, L.V.C., Lalic, M.V., Thunström, P., Araujo, C․Moyses, Eriksson, O., Petrilli, H.M., Klautau, A.B.

“…Zinc-ion batteries (ZIBs) employing aqueous electrolytes have emerged as one of the most promising alternatives to lithium-ion batteries (LIBs). Nonetheless,…”
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