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Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes
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10.1063/1.4795283
/content/aip/journal/jap/113/11/10.1063/1.4795283
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/11/10.1063/1.4795283

Figures

Image of FIG. 1.
FIG. 1.

Optimized structures of the infinite-size (a) [CrBz] and (b) [BzCrBzFe].

Image of FIG. 2.
FIG. 2.

(a)-(j) Spin-dependent transmission spectrum as a function of electron energy E, bias voltage and I-V curve, respectively, for different spins and under various magnetic configurations of the centers. The upper part of (a) and (b): Spin-up state in the magnetic configuration of the cluster BzCrBz as the scattering region. The lower part of (a) and (b): Spin-down state in structure 1. The upper part of (c) and (d): Spin-up state in structure 2. The lower part of (c) and (d): Spin-down state in structure 2. The upper part of (e) and (f): Spin-up state in structure 3. The lower part of (e) and (f): Spin-down state in structure 3. The upper part of (g) and (h): Spin-up state in structure 4. The lower part of (g) and (h): Spin-down state in structure 4. The upper part of (i) and (j): Spin-up state in structure 5. The lower part of (i) and (j): Spin-down state in structure 5. The up and down triangles shown by the intersecting solid straight lines are the bias windows, which set boundaries for transmission that contributes to the current at a given bias voltage. The Fermi energy is set to zero. Inset: The corresponding structures.

Image of FIG. 3.
FIG. 3.

Spin-resolved transmission (solid lines) for scattering centre Bz2Cr conformation under the biases V = 0.35 V (a) and 0.7 V (b) with spin-up. The region between the dashed-dotted lines is the bias window.

Image of FIG. 4.
FIG. 4.

(a) Spin-resolved band structures of the finite 1D cluster FeCrBzFe in the ground state. (b) The spin-resolved density of states of the finite 1D cluster FeCrBzFe in the ground state. Inset: Local density of states of scattering centre of cluster FeCrBzFe sandwich structure. (c) SEF of five structures. .

Tables

Generic image for table
Table I.

The band gap for majority (Δmaj) and minority (Δmin) spin, the total magnetic moment per unit cell (S) of the ground states of the examined finite 1D clusters and infinite 1D wires.

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/content/aip/journal/jap/113/11/10.1063/1.4795283
2013-03-15
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/11/10.1063/1.4795283
10.1063/1.4795283
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