Calculating spin-lattice interactions in ferro- and antiferromagnets: The role of symmetry, dimension, and frustration

Hannah Lange, Sergiy Mankovsky, Svitlana Polesya, Markus Weißenhofer, Ulrich Nowak, and Hubert Ebert
Phys. Rev. B 107, 115176 – Published 31 March 2023

Abstract

Recently, the interplay between spin and lattice degrees of freedom has gained a lot of attention due to its importance for various fundamental phenomena as well as for spintronic and magnonic applications. Examples are ultrafast angular momentum transfer between the spin and lattice subsystems during ultrafast demagnetization, frustration driven by structural distortions in transition-metal oxides, or in acoustically driven spin-wave resonances. In this work, we provide a systematic analysis of spin-lattice interactions for ferro- and antiferromagnetic materials and focus on the role of lattice symmetries and dimensions, magnetic order, and the relevance of spin-lattice interactions for angular momentum transfer as well as magnetic frustration. For this purpose, we use a recently developed scheme, which allows an efficient calculation of spin-lattice interaction tensors from first principles. In addition to that, we provide a more accurate and self-consistent scheme to calculate ab initio spin-lattice interactions by using embedded clusters, which allows us to benchmark the performance of the scheme introduced previously.

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  • Received 8 February 2023
  • Accepted 16 March 2023

DOI:https://doi.org/10.1103/PhysRevB.107.115176

©2023 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Hannah Lange1, Sergiy Mankovsky1, Svitlana Polesya1, Markus Weißenhofer2, Ulrich Nowak2, and Hubert Ebert1

  • 1Department of Chemistry/Phys. Chemistry, LMU Munich, Butenandtstrasse 11, D-81377 Munich, Germany
  • 2Department of Physics, University of Konstanz, DE-78457 Konstanz, Germany

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Issue

Vol. 107, Iss. 11 — 15 March 2023

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