Spin polarization and magnetic characteristics at C 6 H 6 /Co 2 MnSi(001) spinterface

Organic materials with mechanical flexibility, low cost, chemical engineering, and long spin lifetime attract considerable attention for building spintronic devices. Here, a C H /Co MnSi(001) spinterface is investigated by first-principles calculations and spin-polarized scanning tunneling microscop...

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Bibliographic Details
Published in:The Journal of chemical physics 2017-09, Vol.147 (11), p.114702
Main Authors: Sun, Meifang, Wang, Xiaocha, Mi, Wenbo
Format: Article
Language:English
Online Access:Get full text
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Summary:Organic materials with mechanical flexibility, low cost, chemical engineering, and long spin lifetime attract considerable attention for building spintronic devices. Here, a C H /Co MnSi(001) spinterface is investigated by first-principles calculations and spin-polarized scanning tunneling microscopy simulations. Several high symmetry adsorption sites are discussed, together with two possible surface terminations of Co MnSi(001). An inversion of the spin polarization is induced near E even in the case of an external electric field, indicating that C H can act as a spin filter to exploit the spin injection efficiency in organic spintronic devices. Unlike previous studies on molecule/ferromagnet interfaces, this inversion is closely related to the electronic structure of the atoms in the subsurface layer of Co MnSi according to the orbital symmetry analysis. Furthermore, the magnetic moment and magnetic anisotropic energy (MAE) in the outermost Co MnSi layer are studied. Particularly, in the most stable configuration, the sign of MAE is inversed due to hybridization between C p and Co d orbitals, which suggests that a greater modification on MAE can be achieved by the use of a highly chemically reactive organic molecule. These findings improve the study on the engineering of magnetic properties at molecule/ferromagnetic interfaces through a single π-conjugated organic molecule.
ISSN:1089-7690