Document Type

Journal Article

Department/ Unit

Institute of Computational and Theoretical Studies

Abstract

© 2016 American Chemical Society.Fullerenes have several advantages as potential materials for organic spintronics. Through a theoretical first-principles study, we report that fullerene C60 adsorption can induce a magnetic reconstruction in a Ni(111) surface and expose the merits of the reconstructed C60/Ni(111) spinterface for molecular spintronics applications. Surface reconstruction drastically modifies the magnetic properties at both sides of the C60/Ni interface. Three outstanding properties of the reconstructed structure are revealed, which originate from reconstruction enhanced spin-split π-d coupling between C60 and Ni(111): (1) the C60 spin polarization and conductance around the Fermi level are enhanced simultaneously, which can be important for read-head sensor miniaturization; (2) localized spin-polarized states appear in C60 with a spin-filter functionality; and (3) magnetocrystalline anisotropic energy and exchange coupling in the outermost Ni layer are reduced enormously. Surface reconstruction can be realized simply by controlling the annealing temperature in experiments.

Publication Year

2016

Journal Title

Journal of the American Chemical Society

Volume number

12

Issue number

138

Publisher

American Chemical Society

First Page (page number)

4029

Last Page (page number)

4035

Referreed

1

DOI

10.1021/jacs.5b10967

ISSN (print)

00027863

Available for download on Thursday, April 13, 2017

Share

COinS