Spin-spiral formalism based on the multiple-scattering Green's function technique with applications to ultrathin magnetic films and multilayers

E. Simon and L. Szunyogh
Phys. Rev. B 100, 134428 – Published 21 October 2019

Abstract

Based on the Korringa-Kohn-Rostoker Green's function technique, we present a computational scheme for calculating the electronic structure of layered systems with homogeneous spin-spiral magnetic state. From the self-consistent nonrelativistic calculations, the total energy of the spin-spiral states is determined as a function of the wave vector, while a relativistic extension of the formalism in first order of the spin-orbit coupling gives an access to the effect of the Dzyaloshinskii-Moriya interactions. We demonstrate that the newly developed method properly describes the magnetic ground state of a Mn monolayer on W(001) and that of a Co monolayer on Pt(111). The obtained spin-spiral energies are mapped to a classical spin model, the parameters of which are compared to those calculated directly from the relativistic torque method. In case of the Co/Pt(111) system, we find that the isotropic interaction between the Co atoms is reduced and the Dzyaloshinskii-Moriya interaction is increased when capped by a Ru layer. In addition, we perform spin-spiral calculations on Ir/Fe/Co/Pt and Ir/Co/Fe/Pt multilayer systems and find a spin-spiral ground state with very long wavelength due to the frustrated isotropic couplings between the Fe atoms, whereas the Dzyaloshinskii-Moriya interaction strongly depends on the sequence of the Fe and Co layers.

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  • Received 31 July 2019

DOI:https://doi.org/10.1103/PhysRevB.100.134428

©2019 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

E. Simon1,* and L. Szunyogh1,2

  • 1Department of Theoretical Physics, Budapest University of Technology and Economic, Budafoki út 8, H-1111 Budapest, Hungary
  • 2MTA-BME Condensed Matter Research Group, Budapest University of Technology and Economics, Budafoki út 8, H-1111 Budapest, Hungary

  • *esimon@phy.bme.hu

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Issue

Vol. 100, Iss. 13 — 1 October 2019

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