Higher-dimensional Wannier Interpolation for the Modern Theory of the Dzyaloshinskii–Moriya Interaction: Application to Co-based Trilayers

Hanke, Jan-Philipp; Freimuth, Frank; Blügel, Stefan; Mokrousov, Yuriy

doi:10.7566/jpsj.87.041010

Cited by 15 publications

(13 citation statements)

References 36 publications

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“…Several recent studies focus on Co/Pt based systems 13,14 and explore the possibility to tune the material parameters, e.g. through additional buffer layers [15][16][17] , alloying 18,19 or dusting 20 with a third chemical element.…”

Section: Introductionmentioning

confidence: 99%

Comparison of first-principles methods to extract magnetic parameters in ultrathin films: Co/Pt(111)

et al. 2019

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We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111), namely (i) the method of infinitesimal rotations of magnetic moments based on the Korringa-Kohn-Rostoker (KKR) Green function method, (ii) the generalized Bloch theorem applied to spiraling magnetic structures and (iii) supercell calculations with non-collinear magnetic moments, the latter two being based on the full-potential linearized augmented plane wave (FLAPW) method. In particular, we show that the magnetic interaction parameters entering micromagnetic models describing the long-wavelength deviations from the ferromagnetic state might be different from those calculated for fast rotating magnetic structures, as they are obtained by using (necessarily rather small) supercell or large spin-spiral wave-vectors. In the micromagnetic limit, which we motivate to use by an analysis of the Fourier components of the domain-wall profile, we obtain consistent results for the spin stiffness and DMI spiralization using methods (i) and (ii). The calculated spin stiffness and Curie temperature determined by subsequent Monte Carlo simulations are considerably higher than estimated from the bulk properties of Co, a consequence of a significantly increased nearest-neighbor exchange interaction in the Co-monolayer (+50%). The calculated results are carefully compared with the literature.arXiv:1904.06954v1 [cond-mat.mtrl-sci]

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Section: Introductionmentioning

confidence: 99%

Comparison of first-principles methods to extract magnetic parameters in ultrathin films: Co/Pt(111)

et al. 2019

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“…We use first order perturbation theory to derive the mechanism by which SOC leads to the creation of magnetic textures. We build upon an important previous work on the Berry phase theory of DMI 40,41 . According to this Berry phase theory, the rotation of the magnetic moment of an electron alters the free energy, via exchange interaction, and gives rise to DMI.…”

Section: Discussionmentioning

confidence: 99%

The microscopic origin of DMI in magnetic bilayers and prediction of giant DMI in new bilayers

Jadaun

Banerjee

2020

npj Comput Mater

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Skyrmions are widely regarded as promising candidates for emergent spintronic devices. Dzyaloshinskii–Moriya interaction (DMI) is often critical to the generation and manipulation of skyrmions. However, there is a fundamental lack of understanding of the origin of DMI or the mechanism by which DMI generates skyrmions in magnetic bilayers. Very little is known of the material parameters that determine the value of DMI. This knowledge is vital for rational design of skyrmion materials and further development of skyrmion technology. To address this important problem, we investigate DMI in magnetic bilayers using first principles. We present a new theoretical model that explains the microscopic origin of DMI in magnetic bilayers. We demonstrate that DMI depends on two parameters, interfacial hybridization and orbital contributions of the heavy metal. Using these parameters, we explain the trend of DMI observed. We also report four new materials systems with giant DMI and new designs for magnetic multilayers that are expected to outperform the best materials known so far. Our results present a notably new understanding of DMI, uncover highly promising materials and put forth pathways for the controlled generation of skyrmions.

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“…We use first order perturbation theory to derive the mechanism by which SOC leads to the creation of magnetic textures. We build upon an important previous work on the Berry phase theory of DMI [36,38]. According to this Berry phase theory, the rotation of the magnetic moment of an electron alters the free energy, via exchange interaction, and gives rise to DMI.…”

Section: Discussionmentioning

confidence: 99%

The microscopic origin of DMI in magnetic bilayers and prediction of giant DMI in new bilayers

Jadaun,

Banerjee

2019

Preprint

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Skyrmions are widely regarded as promising candidates for emergent spintronic devices.Dzyaloshinskii-Moriya interaction (DMI) is often critical to the generation and manipulation of skyrmions. However, there is a fundamental lack of understanding of the origin of DMI or the mechanism by which DMI generates skyrmions in magnetic bilayers. Very little is known of the material parameters that determine the value of DMI. This knowledge is vital for rational design of skyrmion materials and further development of skyrmion technology.

show abstract

Higher-dimensional Wannier Interpolation for the Modern Theory of the Dzyaloshinskii–Moriya Interaction: Application to Co-based Trilayers

Cited by 15 publications

References 36 publications

Comparison of first-principles methods to extract magnetic parameters in ultrathin films: Co/Pt(111)

Comparison of first-principles methods to extract magnetic parameters in ultrathin films: Co/Pt(111)

The microscopic origin of DMI in magnetic bilayers and prediction of giant DMI in new bilayers

The microscopic origin of DMI in magnetic bilayers and prediction of giant DMI in new bilayers

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