Spin filtering effect in colorimetric chemosensor L-based molecular devices modulated with different transition metal ions

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...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2017-05, Vol.513, p.10-14
Main Authors: Shi, F.V., Lv, Y.Z., Zhao, P., Liu, D.S.
Format: Article
Language:English
Subjects:
Chemical synthesis
Cobalt
Colorimetry
Electron spin
Electrons
Filtration
Green's functions
Iron
Magnetic properties
Magnetic transport
Manganese
Metals
Molecular device
Nickel
Spatial distribution
Spin filtering effect
Studies
Transitions
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Summary: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.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2017.03.002