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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Extremely large perpendicular magnetic anisotropy of an Fe(001) surface capped by 5d transition metal monolayers: A density functional study

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Title
Extremely large perpendicular magnetic anisotropy of an Fe(001) surface capped by 5d transition metal monolayers: A density functional study
Author
Odkhuu, D.Rhim, S.H.Park, NoejungHong, S.C.
Issue Date
2013-11
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW B, v.88, no.18, pp.184405
Abstract
Significant enhancement of the magnetocrystalline anisotropy (MCA) of an Fe(001) surface capped by 4d and 5d transition metal monolayers is presented in this study using first principles density functional calculations. In particular, an extremely large perpendicular MCA of +10 meV/Ir was found in Ir-capped Fe(001), which originates not from the Fe but from the large spin-orbit coupling of the Ir atoms. From the spin-channel decomposition of the MCA matrix and electronic structure analyses, we find that strong 3d-5d band hybridization in the minority spin state is responsible for the sign changes of the MCA from parallel to perpendicular.
URI
https://scholarworks.unist.ac.kr/handle/201301/2684
URL
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84887589486
DOI
10.1103/PhysRevB.88.184405
ISSN
2469-9950
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SNS_Journal Papers
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