Spin polarization and magnetic properties at the C60/Fe4N(001) spinterface

Abstract

The interfacial properties between organic molecules and ferromagnetic electrodes determine the function of organic spintronic devices. Here, we investigate the spin polarization and interfacial magnetism at the C₆₀/Fe₄N(001) spinterface using first-principles calculations and spin-polarized scanning tunneling microscopy simulations. It is found that the local spin polarization is inversed by C₆₀ adsorption and the accurate inversion site is sensitive to the structural configuration between the C₆₀ molecule and Fe₄N substrate. Moreover, the magnetic moment inversion of the Fe atom bonded with a C atom appears in the particular models, and the magnetic anisotropic energy (MAE) of the corresponding Fe atom is inverted from the out-of-plane to the in-plane, which is ascribed to a strong p–d hybridization between C and Fe atoms. These results indicate the existence of a local antiferromagnetic state at the interface, which cannot be ignored when designing spintronic devices.