【摘要】 采用基于密度泛函理论的平面波赝势法对Fe／Cr(001)超晶格的层间耦合和自旋极化进行了系统地研究．结果表明:理想Fe／Cr超晶格的层间耦合随反铁磁Cr层层数的增加呈短周期性振荡;在较稳定的结构中,整个Cr层都以较大的磁矩被极化,且极化程度受铁磁层原子数的影响较大．更多还原

【Abstract】 The interlayer magnetic couplings and the magnetic-moment distributions as a function of the number of Cr spacer are investigated systematically by using plane-wave pseudopotential method based on density functional theory. It is shown that the exchange coupling obtained for idealized Fe/Cr superlattices exhibits short-range oscillations, and for the stable spin arrangement in Fe/Cr superlattices, the whole Cr spacer is polarized with very large moment and the magnitude of polarization depends heavily on the number of Fe atomic layers.更多还原