First principles study on the magnetocrystalline anisotropy of Fe--Ga magnetostrictive alloys |
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Authors: | Zheng Lei Jiang Cheng-Bao Shang Jia-Xiang and Xu Hui-Bin |
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Institution: | School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083, China |
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Abstract: | This paper investigates the electronic structure and
magnetocrystalline anisotropy of Fe--Ga magnetostrictive material by
means of the full potential-linearized augmented plane-wave method
within the generalized gradient approximation. The 3d-orbit
splitting of Fe atoms in D03, B2-like and L12 crystalline
structures of Fe--Ga is calculated with consideration of the crystal
field as well as the spin--orbit coupling effect. Because of the
frozen orbital angular momenta of the 3d-orbit for Fe atoms in Fe--Ga
magnetostrictive alloys and the spin--orbit coupling, the
distribution of the electron cloud is not isotropic, which leads to
the anisotropy of exchange interaction between the different atoms.
A method on estimating the magnetocrystalline anisotropy of Fe--Ga
alloys by means of calculating orbit-projected density of states for
Fe atoms is performed. The anisotropic distribution of the electron
cloud of Fe atoms in these three crystalline structures of Fe--Ga is
studied based on the above method showing the highest magnetic
anisotropy for B2-like structure. This qualitative method comes
closer to physical reality with a vivid physical view, which can
evaluate the anisotropy of electron cloud for 3d transition atoms
directly. The calculated results are in good agreement with both the
previous theoretical computation and the tested value on the
magnetic anisotropy constant, which confirms that the electron cloud
anisotropy of Fe atoms could well characterize the
magnetocrystalline anisotropy of Fe--Ga magnetostrictive material. |
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Keywords: | Fe--Ga magnetostrictive alloy magnetocrystalline anisotropy |
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