TY - JOUR
T1 - Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Molecule-Induced Surface Reconstruction
AU - Pang, Rui
AU - Shi, Xingqiang
AU - Van Hove, Michael A.
N1 - Funding Information:
This work is supported in part by the National Natural Science Foundation of China (Grants 11474145 and 11334003). Michel A. Van Hove is supported by the HKBU Strategic Development Fund. We thank the National Supercomputing Center in Shenzhen for providing computation time, the High Performance Cluster Computing Centre, Hong Kong Baptist University, which receives funding from the Research Grants Council, University Grants Committee of the HKSAR and Hong Kong Baptist University, and National Supercomputing Center in Guangzhou, which receives funding from Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase).
PY - 2016/3/30
Y1 - 2016/3/30
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84963801206&partnerID=8YFLogxK
U2 - 10.1021/jacs.5b10967
DO - 10.1021/jacs.5b10967
M3 - Journal article
AN - SCOPUS:84963801206
SN - 0002-7863
VL - 138
SP - 4029
EP - 4035
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 12
ER -