First-principles calculation of the 3d magnetocrystalline anisotropy energy of YCo5 : The 40th annual conference on magnetism and magnetic materials
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1089-7550
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| Source: |
AIP Digital Archive
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| Topics: |
Physics
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| Notes: |
The electronic structure of YCo5 was calculated self-consistently by the scalar-relativistic linear muffin–tin orbital method using an atomic sphere approximation within the framework of the local spin density approximation. Using the spin–orbit interaction (SO) and orbital polarization term (OP), magnetocrystalline anisotropy energy due to 3d-electrons (3d-MAE) was calculated as a function of bandfilling q [Ea(q)]. At the Fermi level, the calculated Ea(q), including SO and OP, depended greatly on whether an f basis was used for Co. Just below the Fermi level, however, Ea(q) showed a large and c-axial 3d-MAE comparable with the experimental data. This behavior of Ea(q) is closely related to the calculated anisotropy of orbital magnetic moments and the shape of density of states of the 3d band. © 1996 American Institute of Physics.
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| Type of Medium: |
Electronic Resource
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| URL: |