Origin of electric-field-induced modification of magnetocrystalline anisotropy at Fe(001) surfaces: Mechanism of dipole formation from first principles

作者: Kohji Nakamura , Riki Shimabukuro , Toru Akiyama , Tomonori Ito , A. J. Freeman

DOI: 10.1103/PHYSREVB.80.172402

关键词:

摘要: First-principles full-potential linearized augmented plane-wave studies reveal that a surface magnetocrystalline anisotropy (MCA) modification by an external electric field arises from dipole formation mechanism. The precise calculations demonstrate the of dipoles on Fe(001) atoms, which counteract electric-field-induced charge in vacuum region, changes states around Fermi level minority-spin $d$ bands, and yields MCA. These findings greatly advance our understanding MCA modifications itinerant ferromagnetic surfaces.

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