Magnetic anisotropy of iron multilayers on Au(001): First-principles calculations in terms of the fully relativistic spin-polarized screened KKR method

Szunyogh, L.; Újfalussy, B.; Weinberger, P.

doi:10.1103/physrevb.51.9552

Cited by 201 publications

(185 citation statements)

References 42 publications

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“…Such magnetostatic interaction contributes to an in-plane anisotropy (E s ∼ −0.39mJ/m 2 [30]). This promotes the band contribution (E b = −0.43mJ/m 2 in Pd/Fe/Pd(001) as described in subsection 3.3), being in an in-plane anisotropy at zero EF.…”

Section: Discussionmentioning

confidence: 99%

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

Haraguchi¹,

Tsujikawa²,

Gotou³

et al. 2011

J. Phys. D: Appl. Phys.

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Abstract. Electric-field (EF) effects have been studied on magnetic anisotropy in the metallic surfaces Pt/Fe/Pt(001) and Pd/Fe/Pd(001) 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.

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Section: Discussionmentioning

confidence: 99%

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

Haraguchi¹,

Tsujikawa²,

Gotou³

et al. 2011

J. Phys. D: Appl. Phys.

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“…In here, first a self-consistent calculation is carried out for the surface system in terms of the relativistic Screened Korringa-Kohn-Rostoker (SKKR) method [17], and then the nanostructure is embedded into this host according to the equation…”

Section: Theoretical Methodsmentioning

confidence: 99%

Ab initio study of canted magnetism of finite atomic chains at surfaces

Lazarovits¹,

Újfalussy²,

Szunyogh³

et al. 2004

J. Phys.: Condens. Matter

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Abstract. By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first principles point of view, this simple model can be best related to the socalled magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach we use to search for the canted magnetic ground state is first principles adiabatic spin dynamics extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms an a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven-atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly noncollinear.

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“…Self-consistent calculations are performed in terms of the fully relativistic screened Korringa-Kohn-Rostoker (SKKR) method 8 . Within this method, spin-polarization and relativistic effects, in particular, spin-orbit coupling are treated on equal theoretical footing by solving the Kohn-Sham-Dirac equation.…”

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confidence: 99%

Giant magnetic anisotropy of the bulk antiferromagnets IrMn andIrMn3from first principles

et al. 2009

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Theoretical predictions of the magnetic anisotropy of antiferromagnetic materials are demanding due to a lack of experimental techniques which are capable of a direct measurement of this quantity. At the same time it is highly significant due to the use of antiferromagnetic components in magneto-resistive sensor devices where the stability of the antiferromagnet is of upmost relevance. We perform an ab-initio study of the ordered phases of IrMn and IrMn3, the most widely used industrial antiferromagnets. Calculating the form and the strength of the magnetic anisotropy allows the construction of an effective spin model, which is tested against experimental measurements regarding the magnetic ground state and the Néel temperature. Our most important result is the extremely strong second order anisotropy for IrMn3 appearing in its frustrated triangular magnetic ground state, a surprising fact since the ordered L12 phase has a cubic symmetry. We explain this large anisotropy by the fact that cubic symmetry is locally broken for each of the three Mn sub-lattices. While the magnetic anisotropy (MA) of ferromagnets is a well investigated quantity, both experimentally as well as theoretically, it is much less understood in case of antiferromagnets. This lack of knowledge is on the one hand due to a lack of experimental techniques which are capable of a direct measurement of this quantity. On the other hand, theoretical first principles calculations of magnetic anisotropy effects are quite challenging as they require the use of fully relativistic spin density functional theory.Interest in the MA of antiferromagnets comes from the fact that these compounds are important components of GMR sensors used, e.g., in hard disc read heads. Antiferromagnetic materials are employed in these devices to form antiferromagnet/ferromagnet bilayers exhibiting exchange bias 1 , a shift of the hysteresis loop of the ferromagnet, providing a pinned layer which fixes the magnetization of the reference layer of a GMR sensor. The stability of the antiferromagnet is most crucial for the stability of exchange bias and hence the functioning of the device 2,3 . Industrially the antiferromagnet IrMn is widely used because of the large exchange bias and thermal stability that can be obtained with this material.From experimental investigations of the exchange bias effect it is concluded that IrMn must have a rather large MA. Recent estimates of the MA of IrMn concerned the mean blocking temperature T B , the temperature at which the exchange bias shift changes sign upon thermal activation. From T B the intrinsic MA can be inferred if the particle size distribution is known; such a procedure has recently been reported and the room temperature MA energy of IrMn was estimated at 5.5×10 6 erg/cc 4 and even 2.8×10 7 erg/cc 5 depending on the seed layer and, consequently, the texture of the IrMn.In this letter, we address several features of the MA of IrMn alloys starting from first principles. In terms of simple symmetry considerations we predict the form...

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Magnetic anisotropy of iron multilayers on Au(001): First-principles calculations in terms of the fully relativistic spin-polarized screened KKR method

Cited by 201 publications

References 42 publications

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

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

Ab initio study of canted magnetism of finite atomic chains at surfaces

Giant magnetic anisotropy of the bulk antiferromagnets IrMn andIrMn3from first principles

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