Please use this identifier to cite or link to this item:
|Title:||A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes||Authors:||Huang, Jing
|Issue Date:||2012||Source:||Huang, J., Wang, W., Yang, S., Su, H., Li, Q., & Yang, J. (2012). A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes. Chemical Physics Letters, 539-540, 102-106.||Series/Report no.:||Chemical physics letters||Abstract:||We present a first-principles study of the spin-polarized transport properties of three planar four-coordinate Fe complexes with different noninnocent ligands sandwiched between two armchair (5,5) single-walled carbon nanotube (SWCNT) electrodes. Theoretical results clearly reveal that the current of the spin-up electrons through three examined molecular junctions is significant larger than that of the spin-down electrons. The low bias conductance is determined by the tail of transmission peak coming from the perturbed lowest unoccupied molecular orbital of the spin-up electrons. The high spin-filter efficiencies (up to 99.0%) are predicted for three planar four-coordinate Fe complexes coupled to SWCNTs.||URI:||https://hdl.handle.net/10356/96121
|ISSN:||0009-2614||DOI:||http://dx.doi.org/10.1016/j.cplett.2012.05.002||Rights:||© 2012 Elsevier B.V.||Fulltext Permission:||none||Fulltext Availability:||No Fulltext|
|Appears in Collections:||MSE Journal Articles|
Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.