Noncollinear magnetism and enhancement of magnetocrystalline anisotropy at the Σ3(111) grain boundary in ferromagnetic Fe

Nakamura, Kohji; Ito, Tomonori; Freeman, A. J.; Zhong, Lieping; Fernandez-de-Castro, Juan
June 2004
Applied Physics Letters;6/14/2004, Vol. 84 Issue 24, p4974
Academic Journal
Magnetic structures and magnetocrystalline anisotropy of the Σ3[110](111) grain boundary (GB) in ferromagnetic Fe are investigated by the first-principles full-potential linearized augmented plane-wave method including intra-atomic noncollinear magnetism. In breaking the spatial translation symmetry in a crystalline solid, the GB is found to give rise to a magnetic noncollinearity, where the magnetic moments at both sides of the GB orient at an angle of about 10° with respect to each other. Importantly, the presence of the GB enhances the magnetocrystalline anisotropy energy by one order of magnitude from its bulk value and may induce a pinning effect on the magnetization rotation or magnetic domain wall motion. © 2004 American Institute of Physics.


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