TY - JOUR
T1 - Enhancement of magnetocrystalline anisotropy in ferromagnetic Fe films by intra-atomic noncollinear magnetism
AU - Nakamura, Kohji
AU - Ito, Tomonori
AU - Freeman, Arthur J
AU - Zhong, Lieping
AU - Fernandez-de-Castro, Juan
PY - 2003/1/1
Y1 - 2003/1/1
N2 - We generalize the full-potential linearized augmented plane-wave method with a single slab geometry in order to treat noncollinear magnetism with no shape approximation for the magnetization, and apply this scheme to investigate free-standing Fe(001) monolayers with lattice constants matching those of fcc Ag(001) and Cu(001) substrates. Intra-atomic noncollinear magnetism on a smaller length scale inside the atom is observed in the ferromagnetic state, and is found to enhance the magnetocrystalline anisotropy energy (by 17∼20%) compared to values determined for their collinear magnetic state.
AB - We generalize the full-potential linearized augmented plane-wave method with a single slab geometry in order to treat noncollinear magnetism with no shape approximation for the magnetization, and apply this scheme to investigate free-standing Fe(001) monolayers with lattice constants matching those of fcc Ag(001) and Cu(001) substrates. Intra-atomic noncollinear magnetism on a smaller length scale inside the atom is observed in the ferromagnetic state, and is found to enhance the magnetocrystalline anisotropy energy (by 17∼20%) compared to values determined for their collinear magnetic state.
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U2 - 10.1103/PhysRevB.67.014420
DO - 10.1103/PhysRevB.67.014420
M3 - Article
AN - SCOPUS:0037287374
SN - 1098-0121
VL - 67
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 1
ER -