非磁性分隔层厚度对Fe/Cu多层纳米线磁性和电子特性的影响

Influence of the thickness of nonmagnetic spacer on the magnetic and electronic properties of Fe/Cu multilayered nanowires

基于密度泛函理论框架下的第一性原理计算,研究了非磁性分隔层厚度对Fe/Cu多层纳米线磁性和电子特性的影响。结果表明:多层纳米线的稳定性随着非磁性Cu分隔层厚度的增加而降低,其层间交换耦合随非磁性Cu分隔层厚度的增加呈现出振荡衰减的特性,且其振荡周期为两个Cu原子层。自旋极化能带结构的计算结果表明,Fe/Cu多层纳米线的电导敏感地依赖于Cu分隔层的厚度。

The influence of the thickness of nonmagnetic spacer on the magnetic and electronic properties of Fe/Cu multilayered nanowires was investigated systematically by using first-principles calculations based on the density-functional theory. It is found that the stability of both ferromagnetic and antiferromagnetic configuration Fe/Cu multilayered nanowires decreases with increasing concentration of nonmagnetic Cu layers. The calculated interlayer exchange coupling (IEC) is found to switch as the thickness of nonmagnetic Cu spacer increases in the nanowire, and the magnitude of the IEC value is found to decrease significantly with increasing the number of nonmagnetic Cu layers. The oscillation period of IEC is found to be 2 Cu spacer layers. The analysis of the spin-polarized band structures suggests a sensitive dependence of conductance upon the thickness of nonmagnetic Cu spacer.