Journal
PHYSICAL REVIEW B
Volume 91, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.91.014437
Keywords
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Funding
- Basic Science Research Program [2010-0008842]
- Priority Research Centers Program through the National Research Foundation (NRF) - Korean Ministry of Education (KME) [2009-0093818]
- Basic Science Research Program through the NRF - KME [2013R1A1A2007910]
- Japanese Society for the Promotion of Science [24540344]
- Grants-in-Aid for Scientific Research [24540344] Funding Source: KAKEN
- National Research Foundation of Korea [2009-0093818, 2013R1A1A2007910, 21A20131100002] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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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.
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