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.
@article{arxiv.1504.05675,
title = {Spin Polarization Inversion at Benzene-Absorbed Fe4N Surface},
author = {Qian Zhang and Wenbo Mi and Xiaocha Wang and Xuhui Wang},
journal= {arXiv preprint arXiv:1504.05675},
year = {2015}
}