Spin transport in higher n-acene molecules

Details Spin transport in higher n-acene molecules Spin transport in higher n-acene molecules

2011-01-13

arxiv.org/abs/1101.2528v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

13 pages,9 figures

Scientific paper

We investigate the spin transport properties of molecules belonging to the acenes series by using density functional theory combined with the non-equilibrium Green's function approach to electronic transport. While short acenes are found to be non-magnetic, molecules comprising more than nine acene rings have a spin-polarized ground state. In their gas phase these have a singlet total spin configuration, since the two unpaired electrons occupying the doubly degenerate highest molecular orbital are antiferromagnetically coupled to each other. Such an orbital degeneracy is however lifted once the molecule is attached asymmetrically to Au electrodes via thiol linkers, leading to a fractional magnetic moment. In this situation the system Au/n-acene/Au can act as an efficient spin-filter with interesting applications in the emerging field of organic spintronics.

Affiliated with

Also associated with

No associations

Rating

Spin transport in higher n-acene molecules does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Spin transport in higher n-acene molecules, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Spin transport in higher n-acene molecules will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-66344