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Theoretical Study for Ferromagnetic/Nonmagnetic Metallic Multilayrs

铁磁/非磁金属多层膜的理论研究

基本信息

批准号：
08640446
负责人：
ASANO Setsuro
金额：
$ 1.34万
依托单位：
The University of Tokyo
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1996
资助国家：
日本
起止时间：
1996 至 1997
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08640446/
关键词：
metallic multilayr magnetic anisotropy magneto-optical effect half-metal magnetism crystallene field electronic structure metallic multilayer magnetic anisotropy magneto-optical effect magnetism half-metal halh-metal electronic s

项目摘要

1) The perpendicular magnetic anisotropy energy in the ferromagnetic/nonmagnetic metallic multilayrs were investigated calculating the electronic structures by LMTO-ASA method within the framework of the local-density-approximation, for X/Co (X= Pd, Pt, Cu, Ag, Au, Ni) and X/Fe (X=Ag, Au, Ni) systems. We have found that the general tendency of the perpendicular magnetic anisotropy energy (MAE) in these systems are well explained by first-principles calculations. The thickness of Co (ferromagnetic) layr dependence and the strain dependence of the MAE were also investigated.2) The magnetic properties of rare-earth and 3d transition metal compounds are enhanced by the addition of N,C or B.We have calculated the electronic charge density maps and the spindensity maps of GdFe_<12>, GdFe_<12>N,Gd_2Fe_<17> and Gd_2Fe_<17>N_3 by the FLAPW method and clarified the microscopic origin of the strong uniaxial magnetic anisotropy energy due to the addition of N or C.It was also found that the addition of N is most effective to enhance the magnetism of these compounds.3)We have also calculated the MAE due to the spin-orbit coupling of 3d transition metal itself for YCo_5, Y_2Co_7, YCo_3 and Y_2Co_<17> by the LMTO method including the spin-orbit coupling term.4)We have also performed the preliminary calculation of the magneto-optical (Kerr) effect by the LMTO method for hcp-Co, fcc-Co, and ferromagnetic/nonmagnetic metallic multilayrs Fe (nML) /Au (nML) (n=1,2,3,4) and TM (1ML) /X (2ML)(TM=Mn, Fe, Co ; X=Pd, Pt, Ag, Au) systems.5)We have also performed the first principles calculations to predict theoretically new half-metallic compounds to realize the half-metallic/nonmagnetic multilayr.

1)在局域密度近似下，采用LMTO-ASA方法计算了X/Co（X= Pd，Pt，Cu，Ag，Au，Ni）和X/Fe（X=Ag，Au，Ni）体系的电子结构，研究了铁磁/金属多层膜的垂直磁各向异性能.我们发现，这些系统中的垂直磁各向异性能（MAE）的一般趋势很好地解释了第一性原理计算。2）N、C或B的加入增强了稀土和3d过渡金属化合物的磁性，计算了GdFe_2<12>、GdFe_<12>N、Gd_2Fe_3和<17>Gd_2Fe_<17>N的电子电荷密度图和自旋密度图。结果表明，N和C的加入对提高合金的单轴磁各向异性能有很大的作用，3）采用包含自旋轨道耦合项的LMTO方法计算了YCo_5，Y_2Co_7，YCo_3和Y_2Co_4中由于3d过渡金属自身自旋轨道耦合引起的MAE; 4）采用LMTO方法对hcp-Co，fcc-Co<17>，以及铁磁/非金属多层膜Fe（nML）/Au（nML）（n= 1，2，3，4）和TM（1ML）/X（2ML）（TM=Mn，Fe，Co ; X=Pd、Pt、Ag，Au）体系。5）我们还进行了第一性原理计算，从理论上预测新的半金属化合物，以实现半金属/多层的。