Dynamical magnetic susceptibility of non-collinear magnets: A novel KKR-based ab initio scheme and its application

TL;DR

This paper introduces a new KKR-based ab initio method for calculating the dynamical magnetic susceptibility in non-collinear magnets, with applications to magnon behavior in altermagnetic kagome antiferromagnets.

Contribution

It presents a novel implementation of a linear response TDDFT scheme for non-collinear spin excitations using the KKR Green's function method, including formalism and numerical analysis.

Findings

Analyzed magnon dispersion and damping in Mn₃Ir kagome antiferromagnet.

Discovered non-monotonous damping dependence on magnon frequency.

Explored chirality-dependent attenuation of magnetic modes.

Abstract

A novel implementation of the linear response time-dependent density functional theory addressing spin excitations in non-collinear magnets based on the Korringa-Kohn-Rostoker Green's function method is presented. Following the exposition of the formalism based on the adiabatic local spin density approximation to the exchange-correlation kernel generalized to the noncollinear case, the computational scheme is discussed in detail. The formation of the Goldstone modes in non-collinear susceptibility calculations is elaborated on formally and from the numerical convergence point of view. The scheme is deployed to study the dispersion and Landau damping of magnons in the altermagnetic non-collinear kagome antiferromagnet Mn$_{3}$Ir. The non-monotonous dependence of the damping on the magnon frequency makes the large momentum excitations attractive in the terahertz spintronics. To this end, we analyze the real-time and real-space dynamics of the magnetic modes, including their strongly chirality-dependent attenuation.