{\it Ab initio} calculations of magnetic structure and lattice dynamics of Fe/Pt multilayers

TL;DR

This study uses ab initio density functional theory to analyze the magnetic and lattice dynamical properties of Fe/Pt multilayers, revealing ferromagnetic interlayer coupling and phonon density variations based on layer positioning.

Contribution

It provides new insights into the magnetic coupling and phonon behavior in Fe/Pt multilayers, highlighting the effects of layer thickness and position.

Findings

Ferromagnetic order is favored between Fe layers.

Interlayer coupling saturates quickly with Pt layer thickness.

Phonon densities of states depend on Fe layer position.

Abstract

The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to determine phonon frequencies. It is found that ferromagnetic order between consecutive Fe layers is favoured, with the enhanced magnetic moments at the interface. The bilinear and biquadratic coupling coefficients between Fe layers are shown to saturate fast with increasing thickness of nonmagnetic Pt layers which separate them. The phonon calculations demonstrate a rather strong dependence of partial iron phonon densities of states on the actual position of Fe monolayer in the multilayer structure.