Abstract：
:Based on density functional theory and non-equilibrium Green's function formalism, we explore the effect of Fe atom in Au-Fe@C20-Au monomer and dimer systems in comparison with the C20 fullerene molecular junctions. We calculate the spin-dependent transmission coefficient, spin polarization and also their spin thermoelectric coefficients to investigate magnetic properties in the system. Our results indicate that the presence of Fe atoms enhances substantially the spin-filter and increases the spin figure of merit in the dimer system. We suggest that the Au-(Fe@C20)2-Au system is a suitable junction for designing spin-filtering and spin thermoelectric devices and eventually it is a good candidate for spintronic applications.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Khalatbari H,Vishkayi SI,Soleimani HRdoi
10.1038/s41598-020-78111-wsubject
Has Abstractpub_date
2020-12-03 00:00:00pages
21134issue
1issn
2045-2322pii
10.1038/s41598-020-78111-wjournal_volume
10pub_type
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