Spin Polarization Inversion at Benzene-Absorbed Fe4N Surface

Qian Zhang, Wenbo Mi, Xiaocha Wang, Xuhui Wang

Research output: Contribution to journalArticlepeer-review

21 Scopus citations


We report a first-principle study on electronic structure and simulation of the spin-polarized scanning tunneling microscopy graphic of a benzene/Fe4N interface. Fe4N is a compound ferromagnet suitable for many spintronic applications. We found that, depending on the particular termination schemes and interface configurations, the spin polarization on the benzene surface shows a rich variety of properties ranging from cosine-type oscillation to polarization inversion. Spin-polarization inversion above benzene is resulting from the hybridizations between C pz and the out-of-plane d orbitals of Fe atom.
Original languageEnglish (US)
JournalScientific Reports
Issue number1
StatePublished - May 27 2015


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