Stabilities of spin configuration and exchange interactions in (Cr, Mn, Fe)/Ag monatomic multilayers
Stabilities of spin configuration and exchange interactions in (Cr, Mn, Fe)/Ag monatomic multilayers
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(Cr, Mn, Fe)/Ag 单原子多层膜中自旋构型和交换相互作用的稳定性
DOI：
10.1103/physrevb.59.6974
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发表时间：
1999
影响因子：
3.7
通讯作者：
Ding
中科院分区：
文献类型：
--
作者：
Jian;Zhi;Lei Zhou;Y. Kawazoe;Ding
~Cr，Mn，Fe ~（1/2）结构和磁性的从头计算采用自洽全势线性增强平面波方法，对Ag单原子多层膜在顺磁、铁磁和反铁磁三种状态下的四重L10有序结构进行了研究.通过拟合的abi nitio结果的伊辛模型，我们已经提取在这些系统中的交换相互作用，并讨论交换相互作用相对于晶格弛豫和3d电子填充的一般行为。最后，给出了零温相图来描述磁位形的稳定性。@S0163-1829~99！03110-0#
Ab initio calculations on the structural and magnetic properties of ~Cr, Mn, Fe!/Ag monatomic multilayers with tetragonal L1 0 ordered structure in paramagnetic, ferromagnetic, and antiferromagnetic states are performed by means of the self-consistent full-potential linearized augmented-plane-wave method. By fitting the ab i nitio results to an Ising model, we have extracted exchange interactions in these systems and discuss general behaviors of the exchange interactions with respect to lattice relaxation and 3 d electron filling. Finally, a zero-temperature phase diagram is given to describe the stabilities of the magnetic configurations. @S0163-1829~99!03110-0#