Masahito Tsujikawa

Finite electric field effects in the large perpendicular magnetic anisotropy surface Pt/Fe/Pt(001): a first-principles study.

We investigate crystalline magnetic anisotropy in the electric field (EF) for the FePt surface which has a large perpendicular anisotropy, by means of the first-principles approach. Anisotropy is reduced linearly with respect to the inward EF, associated with the induced spin density around the Fe layer. Although the magnetic anisotropy energy (MAE) density reveals large variation around the atoms, the intrinsic contribution to the MAE is found to mainly come from the Fe layer. The surface without the capping Pt layer also shows similar linear dependence.

The origin of perpendicular magneto-crystalline anisotropy in L10?FeNi under tetragonal distortion

We investigated the origin of perpendicular magneto-crystalline anisotropy (MCA) in L1(0)-ordered FeNi alloy using first-principles density-functional calculations. We found that the perpendicular MCA of L1(0)-FeNi arises predominantly from the constituent Fe atoms, which is consistent with recent measurements of the anisotropy of the Fe orbital magnetic moment of L1(0)-FeNi by means of x-ray magnetic circular dichroism. Analysis of the second-order perturbation of the spin-orbit interaction indicates that spin-flip excitations between the occupied majority-spin and unoccupied minority-spin bands make a considerable contribution to the perpendicular MCA, as does the spin-conservation term for the minority-spin bands. Furthermore, the MCA energy increases as the in-plane lattice parameter decreases (increasing the axial ratio c/a). The increase in the MCA energy can be attributed to further enhancement of the spin-flip term due to modulation of the Fe d(xy) and d(x(2) - y(2)) orbital components around the Fermi level under compressive in-plane distortion.

A comparative ab initio study on electric-field dependence of magnetic anisotropy in MgO/Fe/Pt and MgO/Fe/Au films

We have investigated the electric field (EF) effect on the magnetic anisotropy energy (MAE) in thin films MgO/Fe/M(001) (Mu2009=u2009Au and Pt) by means of first-principles density-functional calculations. The EF dependence of the MAE is enhanced significantly in the film with the Pt substrate compared to that with the Au substrate. This enhancement is attributed to the EF-induced hybridization between Fe 3d- and Pt 5d-orbitals. This implies that the Pt layer stacked on the magnetic layer strengthens the sensitivity of devices for bias-voltage-induced magnetic control.

Magnetic anisotropy in Ta/CoFeB/MgO investigated by x-ray magnetic circular dichroism and first-principles calculation

We study the spin and orbital magnetic moments in Ta/Co0.4Fe0.4B0.2/MgO by x-ray magnetic circular dichroism measurements as well as first-principles calculations, in order to clarify the origin of the perpendicular magnetic anisotropy. Both experimental and theoretical results show that orbital magnetic moment of Fe is more anisotropic than that of Co with respect to the magnetization direction. The anisotropy is larger for thinner CoFeB, indicating that Fe atoms at the interface with MgO contribute more than Co to the observed perpendicular magnetic anisotropy.

Electric-field effects on magnetic anisotropy in Pd/Fe/Pd(0 0 1) surface

Electric-field (EF) effects have been studied on magnetic anisotropy in the metallic surfaces Pt/Fe/Pt(0u20090u20091) and Pd/Fe/Pd(0u20090u20091) by means of the first-principles electronic structure calculation which employs the generalized gradient approximation. The variation of anisotropy energy with respect to the EF is found to be opposite to each other. The modulus rate of the variation is larger by a few factors in the Pt substrate than in the Pd one. These results agree qualitatively well with the available experimental data. The electronic structures are presented and the origins in EF effects are discussed along a line of the second perturbative fashion.

Effect of atomic monolayer insertions on electric-field-induced rotation of magnetic easy axis

We have investigated the electric field (EF) effect on the magnetic anisotropy energy (MAE) in the thin films MgO/M/Fe/Au(001) and MgO/Fe/M(001) (M = Pd, Pt, and Au) by means of first-principles density-functional calculations. We find that the MAE varies linearly with the EF and investigate the change in slope of the MAE as a function of the EF as the buffer layer is changed. We find that a single monatomic buffer layer may be useful for devices that use EF-modified MAE. We simulate the critical EF for easy-axis rotation and discuss interface effects of Mg/Fe and Fe/Au on MAE.

A first-principles study on magnetocrystalline anisotropy at interfaces of Fe with non-magnetic metals

Magnetocrystalline anisotropy (MCA) of Fe(001) interfaces with various non-magnetic metals (Hf, Zr, Ti, Ta, Nb, V, Ir, Rh, Pt, Pd, Au, Ag, Cu, and Zn) was investigated by first-principles calculations. We found that Fe interfaces with non-magnetic metals with fully occupied d states tend to show perpendicular MCA. The spin-orbit coupling in interfacial Fe atoms plays an important role in perpendicular MCA. Conversely, Fe interfaces with non-magnetic metals with partially occupied d states exhibit in-plane MCA. The Hf/Fe(001) interface shows an exceptionally large perpendicular MCA energy of 1.5 mJ/m2, which corresponds to that of the MgO/Fe(001) interface. In these cases, contributions from interfacial Fe atoms to MCA are relatively small, and the large spin-orbit coupling of non-magnetic atoms is the primary contribution to MCA. We conclude that formation of Hf/Fe(001) interfaces will enhance the perpendicular magnetization of MgO/CoFeB-based magnetic tunnel junctions.

Voltage controlled interfacial magnetism through platinum orbits

Electric fields at interfaces exhibit useful phenomena, such as switching functions in transistors, through electron accumulations and/or electric dipole inductions. We find one potentially unique situation in a metal–dielectric interface in which the electric field is atomically inhomogeneous because of the strong electrostatic screening effect in metals. Such electric fields enable us to access electric quadrupoles of the electron shell. Here we show, by synchrotron X-ray absorption spectroscopy, electric field induction of magnetic dipole moments in a platinum monatomic layer placed on ferromagnetic iron. Our theoretical analysis indicates that electric quadrupole induction produces magnetic dipole moments and provides a large magnetic anisotropy change. In contrast with the inability of current designs to offer ultrahigh-density memory devices using electric-field-induced spin control, our findings enable a material design showing more than ten times larger anisotropy energy change for such a use and highlight a path in electric-field control of condensed matter.

Magnetic anisotropies of iron on the Pt(111) surface

We have studied magnetic anisotropies of Fe atoms on the platinum (111) surface, employing a fully relativistic pseudopotential and plane wave method with the local spin density approximation. We investigated three surface structures with different Fe monolayer coverages: full coverage, half-coverage and quarter-coverage. The effect of surface relaxation has been included. It was found that the magnetic easy axis of the system is within the surface plane for all systems investigated. In the system of an Fe chain on Pt(111), having an anisotropic local structure, the magnetic anisotropy energy is much enhanced after surface relaxation. This absolute value is larger compared with the value for bulk alloy and the magnetic easy axis is directed parallel to the alignment of Fe atoms.

Current perpendicular-to-plane giant magnetoresistance devices using half-metallic Co2Fe0.4Mn0.6Si electrodes and a Ag-Mg spacer

Current perpendicular-to-plane (CPP) giant magnetoresistance (GMR) effects in devices including Co2Fe0.4Mn0.6Si (CFMS)/Ag100−x Mg x /CFMS structures were investigated theoretically and experimentally. First-principles transport calculation revealed that the Fermi surface matching between CFMS and L12 Ag3Mg is better than that between CFMS and fcc-Ag. In the experiments the Mg composition, x was changed from 0 to 26 at.%, in which both face centered cubic phase and L12 phase of Ag–Mg alloys are included depending on the Mg composition. It was confirmed by a cross-sectional high-angle annular dark field scanning transmission electron microscope (HAADF-STEM) image that the Ag–Mg spacer layer with L12 ordered phase was successfully fabricated for x = 22 at.%. The maximum CPP–GMR ratio and the change of the areal resistance () were 56% and 20 mm2, respectively, for x = 22 at.% at room temperature, which is much higher than that of the conventionally used pure Ag spacer devices. It was suggested from the HAADF-STEM images and the results of the temperature dependence of CPP–GMR effects that the diffusion of Mn atoms occurred less at the CFMS/Ag–Mg interfaces for the L12 ordered Ag–Mg spacer devices than the Ag spacer devices, which might be a key factor for the enhancement of the value. The newly developed L12 Ag–Mg spacer is a promising material for realizing large of the CPP–GMR devices.