Proceedings of the Korean Magnestics Society Conference (한국자기학회:학술대회 개요집)
- 2013.12a
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- Pages.29-29
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- 2013
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- 2233-9485(pISSN)
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- 2233-9574(eISSN)
Giant Perpendicular Magnetic Anisotropy of a Fe(001) Surface: A Density Functional Study
- Odkhuu, D. (Department of Physics and Energy Harvest Storage Research Center, University of Ulsan) ;
- Rhim, S.H. (Department of Physics and Energy Harvest Storage Research Center, University of Ulsan) ;
- Yun, Won Seok (Department of Physics and Energy Harvest Storage Research Center, University of Ulsan) ;
- Hong, S.C. (Department of Physics and Energy Harvest Storage Research Center, University of Ulsan)
- Published : 2013.12.05
Abstract
We predict agigantic perpendicular magnetocrystalline anisotropy (MCA) in Fe (001) capped by 5d transition metal (TM) overlayers by using first principles calculations. Analysis of atom-by-atom contribution to MCA reveals that gigantic MCA as large as 11 meV/TM originates not from Fe atoms but from the 5d TMs through the strong spin-orbit coupling. More specifically, it is the hybridization between TM and Fe d orbitals that also induces non-negligible magnetic moments in TM. Furthermore, spin-channel decompositions of MCA matrix with and without the presence of Fe substrate identify the electronic origin of the perpendicular MCA that the down-down channel contribution plays the most crucial role for the sign changes of MCA of TM overlayers upon the hybridization with Fe-3d.
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