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Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment
Shao, Yangfan1,2; Pang, Rui3,4; Pan, Hui2; Shi, Xingqiang1
2018-03-21
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume148Issue:11
AbstractThe interfaces between organic molecules and magnetic metals have gained increasing interest for both fundamental reasons and applications. Among them, the C-60/layered antiferromagnetic (AFM) interfaces have been studied only for C-60 bonded to the outermost ferromagnetic layer [S. L. Kawahara et al., Nano Lett. 12, 4558 (2012) and D. Li et al., Phys. Rev. B 93, 085425 (2016)]. Here, via density functional theory calculations combined with evidence from the literature, we demonstrate that C-60 adsorption can reconstruct the layered-AFM Cr(001) surface at elevated annealing temperatures so that C-60 bonds to both the outermost and the subsurface Cr layers in opposite spin directions. Surface reconstruction drastically changes the adsorbed molecule spintronic properties: (1) the spin-split p-d hybridization involves multi-orbitals of C-60 and top two layers of Cr with opposite spin-polarization, (2) the subsurface Cr atom dominates the C-60 electronic properties, and (3) the reconstruction induces a large magnetic moment of 0.58 mu(B) in C-60 as a synergistic effect of the top two Cr layers. The induced magnetic moment in C-60 can be explained by the magnetic direct-exchange mechanism, which can be generalized to other C-60/magnetic metal systems. Understanding these complex hybridization behaviors is a crucial step for molecular spintronic applications. Published by AIP Publishing.
DOI10.1063/1.5012926
URLView the original
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000428289000027
PublisherAMER INST PHYSICS
Fulltext Access
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Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Affiliation1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China;
2.Univ Macau, Inst Appl Phys & Mat Engn, Macau, Peoples R China;
3.Zhengzhou Univ, Int Lab Quantum Funct Mat Henan, Zhengzhou 450001, Henan, Peoples R China;
4.Zhengzhou Univ, Sch Phys & Engn, Zhengzhou 450001, Henan, Peoples R China
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Shao, Yangfan,Pang, Rui,Pan, Hui,et al. Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148(11).
APA Shao, Yangfan,Pang, Rui,Pan, Hui,&Shi, Xingqiang.(2018).Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment.JOURNAL OF CHEMICAL PHYSICS,148(11).
MLA Shao, Yangfan,et al."Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment".JOURNAL OF CHEMICAL PHYSICS 148.11(2018).
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