Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5491925 | Physica B: Condensed Matter | 2017 | 5 Pages |
Abstract
Based on the density functional theory in conjunction with the non-equilibrium Green's function formalism, we explore the effect of transition metal (Mn, Fe, Co, Ni) ions on the magnetic transport properties of a new synthesized colorimetric chemosensor L. The calculated results show that only Mn-L can present high-efficiency spin filtering effect, even at room temperature. The underlying mechanism is explained by the spin-resolved electron occupation number, transmission spectra, molecular projected self-consistent Hamiltonian orbitals and their spatial distribution.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
F.V. Shi, Y.Z. Lv, P. Zhao, D.S. Liu,