Dynamical magnetic excitations of nanostructures from first-principles

TL;DR

This paper introduces a first-principles method based on time-dependent density functional theory and Green functions to study spin dynamics in nanostructures, ensuring accurate Goldstone modes.

Contribution

It develops a real space computational scheme combining TDDFT and Green functions for analyzing magnetic excitations in nanostructures.

Findings

Successfully applied to 3d adatoms and dimers on Cu(100)

Provides a way to determine Coulomb potential for correct Goldstone modes

Advances first-principles analysis of spin dynamics in nanostructures

Abstract

Within time-dependent density functional theory, combined with the Korringa-Kohn-Rostoker Green functions, we devise a real space method to investigate spin dynamics. Our scheme enables one to deduce the Coulomb potential which assures a proper Goldstone mode is present. We illustrate with application to 3$d$ adatoms and dimers on Cu(100).