1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance
Rent:
Rent this article for
USD
10.1063/1.3684551
/content/aip/journal/jcp/136/6/10.1063/1.3684551
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/6/10.1063/1.3684551

Figures

Image of FIG. 1.
FIG. 1.

The optimized two-probe geometry of an FePc molecule sandwiched between two N-doped AGNR electrodes. Here, the label “N” stands for the doping site, the blue vertical lines denote the scattering region, and d (about 8.53 Å) stands for the optimized lattice constant of N-doped AGNR electrodes.

Image of FIG. 2.
FIG. 2.

The calculated spin-resolved I-V curves of FePc molecular junction. The black and blue lines stand for the current of spin-down and spin-up electrons, respectively. For clarity, the right above inset is the I-V curve for the spin-up electrons in smaller scale.

Image of FIG. 3.
FIG. 3.

(a) The energy dependent spin-resolved transmission spectra of FePc molecular junction. The blue and black curves stand for the transmission of the spin-up and spin-down electrons, respectively. Empty triangles denote the molecular projected self-consistent Hamiltonian eigenvalues. (b) Contour plots of eigenfunctions. Here, the top panel stands for two eigenfunctions of the scattering region, which contribute the transmission peaks A and B. The perturbed HOMO and LUMO of the FePc molecular projected self-consistent Hamiltonian in the scattering region are illustrated in the bottom panel.

Image of FIG. 4.
FIG. 4.

The bias dependent transmission spectra of FePc molecular junction. (a) 0.0 V, (b) 0.14 V, and (c) 0.5 V. Here, the red vertical dotted line labels the Fermi level and the purple shadow area stands for the integral energy range under the applied bias. (d)–(f) Schematic illustration of the molecular projected self-consistent Hamiltonian eigenvalues in scattering region relative to these discrete bands in two N-doped armchair GNRs with bias voltages of 0.0, 0.14, and 0.5 V, respectively.

Image of FIG. 5.
FIG. 5.

(a) FePc molecular junction with N-doped 11-AGNR electrodes (W = 11). (b) The corresponding spin-resolved I-V curves.

Image of FIG. 6.
FIG. 6.

Three examined GNR electrodes. (a) AGNR (W = 13, N dopant locates at the off-center site), (b) ZGNR (W = 10), (c) GNR with the mixed armchair and zigzag edges. Here, d1, d2, and d3 are 8.53, 4.95, and 17.06 Å, respectively, which stand for the optimized lattice constant of three different N-doped GNR electrodes.

Tables

Generic image for table
Table I.

The spin-resolved transmission coefficients (T and T in G0), SFE (in %) at zero bias, and the currents of the spin-down electrons at two bias voltages (I(V1) and I(V2) in μA) for the FePc molecular junctions with three different GNR electrodes, as shown in Fig. 6.

Loading

Article metrics loading...

/content/aip/journal/jcp/136/6/10.1063/1.3684551
2012-02-13
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/6/10.1063/1.3684551
10.1063/1.3684551
SEARCH_EXPAND_ITEM