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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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Jahn-Teller driven perpendicular magnetocrystalline anisotropy in metastable ruthenium

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Title
Jahn-Teller driven perpendicular magnetocrystalline anisotropy in metastable ruthenium
Author
Odkhuu, DorjRhim, S. H.Park, NoejungNakamura, KohjiHong, Soon Cheol
Issue Date
2015-01
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW B, v.91, no.1, pp. 014437
Abstract
A metastable phase of body-centered-tetragonal ruthenium (bct Ru) is identified to exhibit a large perpendicular magnetocrystalline anisotropy (PMCA), whose energy E-MCA is as large as 150 mu cV/atom, which is two orders of magnitude greater than those of 3d magnetic metals. Further investigation over the range of tetragonal distortion suggests that the appearance of magnetism in the bct Ru is governed by the Jahn-Teller spit e(g) orbitals. Moreover, from band analysis, MCA is mainly determined by an interplay between two e(g) states, d(x)(-y)(2)(2)and d(z)(2) states, as a result of level reversal associated with tetragonal distortion.
URI
https://scholarworks.unist.ac.kr/handle/201301/10722
URL
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.014437
DOI
10.1103/PhysRevB.91.014437
ISSN
2469-9950
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PHY_Journal Papers
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