Control of the magnetism and magnetic anisotropy of a single-molecule magnet with an electric field

TL;DR

This study uses density functional calculations to demonstrate how an external electric field can control the magnetism and magnetic anisotropy of a single-molecule magnet, enabling switchable magnetization directions.

Contribution

It reveals giant magnetoelectric effects in FePc/O-Cu(110), showing electric field-induced control of magnetic properties and magnetization direction switching.

Findings

Magnetic moment and anisotropy energy depend on external electric field.

Magnetization direction can be switched between in-plane and perpendicular.

Charge transfer and Fe-d orbital rearrangement explain spin reorientation.

Abstract

Through systematics density functional calculations, the mechanism of the substrate induced spin reorientation transition in FePc/O-Cu(110) was explained in terms of charge transfer and rearrangement of Fe-d orbitals. Moreover, we found giant magnetoelectric effects in this system, manifested by the sensitive dependences of its magnetic moment and magnetic anisotropy energy on external electric field. In particular, the direction of magnetization of FePc/O-Cu(110) is switchable between in-plane and perpendicular axes, simply by applying an external electric field of 0.5 eV/{\AA} along the surface normal.