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首页> 外文期刊>Thin Solid Films >Magnetocrystalline anisotropy energy and spin polarization of Fe_3Si in bulk and on Si(001) and Si( 111) substrates
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Magnetocrystalline anisotropy energy and spin polarization of Fe_3Si in bulk and on Si(001) and Si( 111) substrates

机译：Fe（3Si）块体以及在Si（001）和Si（111）衬底上的磁晶各向异性能和自旋极化

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摘要

In order to achieve highly efficient spin polarized transport, first of all magnetocrystalline anisotropy energy, which determines the magnetic easy axis, must be understood. The highly precise full-potential linearized augmented plane-wave method is employed to investigate the magnetism and magnetocrystalline anisotropy energy of a ferromagnetic Heusler alloy Fe_3Si on Si(OOl) and Si(lll) substrates. The calculated magnetocrystalline anisotropy energy of bulk D0_3 Fe_3Si was found to depend sensitively on a tetragonal distortion: The magnetization is along the z-axis at c/al. The out-of-plane magnetic easy axis of both Fe_3Si/Si(001) and (111) was calculated to be quite stable with enhanced magnetocrystalline anisotropy energy compared with bulk value. The magnetic easy axis of Fe_3Si/Si(001) and (111) is discussed in detail with single particle energy spectra. The degree of spin polarization is also presented at the interfaces between Fe_3Si and Si. The calculated spin polarizations of Fe_3Si/Si(lll) tend to retain the spin polarization of the bulk, whereas they are reduced for the (001) interfaces.
机译：为了实现高效的自旋极化传输，必须首先确定确定磁易轴的磁晶各向异性能。采用高精度的全电势线性化增强平面波方法研究了Si（001）和Si（III）衬底上的铁磁Heusler合金Fe_3Si的磁性和磁晶各向异性能。发现本体D0_3 Fe_3Si的计算的磁晶各向异性能敏感地取决于四边形畸变：磁化沿着z轴在c / a l处。计算得出Fe_3Si / Si（001）和（111）的面外磁易轴与体积值相比在增加磁晶各向异性能的情况下非常稳定。利用单粒子能谱详细讨论了Fe_3Si / Si（001）和（111）的易磁化轴。在Fe_3Si和Si之间的界面处也呈现出自旋极化的程度。 Fe_3Si / Si（III）的计算的自旋极化趋于保留本体的自旋极化，而对于（001）界面则减小。

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