Article ID Journal Published Year Pages File Type
5491925 Physica B: Condensed Matter 2017 5 Pages PDF
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
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