Spin polarization and magnetic properties at the C60/Fe4N(001) spinterface. Issue 27 (21st June 2019)

• Record Type: Journal Article
• Authors: Han, Xuefei; Mi, Wenbo; Wang, Xiaocha
• Is Part Of: Journal of materials chemistry. Volume 7:Issue 27(2019)
• Page Start: 8325
• Page End: 8334
• Publication Date: 2019-06-21
• Subjects: Materials -- Periodicals; Chemistry, Analytic -- Periodicals; Optical materials -- Research -- Periodicals; Electronics -- Materials -- Research -- Periodicals; 543.0284
• DOI: 10.1039/c9tc02342a
• Languages: English
• ISSNs: 2050-7526

Abstract

Abstract : C60 -Induced redistribution of Fe d-orbitals results in magnetic moment inversion, and the inverted spatial spin polarization is obtained. 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 /Fe4 N(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 Fe4 N 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.