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http://dx.doi.org/10.4283/JKMS.2016.26.6.179

First Principle Studies on Magnetism and Electronic Structure of Perovskite Structured CoFeX3 (X = O, F, S, Cl)  

Jekal, Soyoung (Department of Physics and EHSRC, University of Ulsan)
Hong, Soon Cheol (Department of Physics and EHSRC, University of Ulsan)
Publication Information
Journal of the Korean Magnetics Society / v.26, no.6, 2016 , pp. 179-184 More about this Journal
Abstract
For an industrial spin-transfer torque (STT) MRAM, low switching current and high thermal stability are required, simultaneously. For this point of view, it is essential to find magnetic materials which satisfy high spin polarization and strong perpendicular magnetocrystalline anisotropy (MCA). In this paper, we investigate electronic structures and MCA energies of perovskite $CoFeX_3$ (X = O, F, S, Cl). For X = F and Cl, spin polarization at the Fermi level are 97 % and 96 %, respectively, which are close to a half metal. Furthermore, Co-terminated 5-monolayer (ML) $CoFeX_3$ (X = O, F, S, Cl) films show perpendicular MCA. In particular, the MCA energy of the Co-terminated $CoFeCl_3$ is about 1.0 meV/cell which is three times larger than that of a 5-ML CoFe film. Therefore, we expect to realize a magnetic material with high spin polarization and strong perpendicular MCA energy by utilizing group 6 and 7 elements in the periodic table, and to contribute to commercializing of the STT-MRAM.
Keywords
first-principles calculation; magnetism; magnetocrystalline anisotropy; perovskite; electronic structure;
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