Nonlinear Spin Current and Magnetoresistance of Molecular Tunnel Junctions

Waldron, Derek; Haney, Paul M.; Larade, Brian; MacDonald, Allan H.; Guo, Hong

doi:10.1103/physrevlett.96.166804

Cited by 364 publications

(231 citation statements)

References 41 publications

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“…A single particle scattering formalism in conjunction with a density functional approach is used to study the electronic current [11][12][13][14][15][16][17] . We have included self-consistently both first and higher order Stark effects in our model.…”

mentioning

confidence: 99%

Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction

Mandal

Pati

2011

Phys. Rev. B

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We propose a new orbital controlled model to explain the gate field induced switching of current in a semiconducting PbS-nanowire junction. A single particle scattering formalism in conjunction with a posteriori density functional approach involving hybrid functional is used to study the electronic current; both first and higher order Stark effects are explicitly treated in our model. Our calculation reveals that after a threshold gate-voltage, orbital mixing produces p-components at the S atoms in the participating orbitals.This results in an inter-layer orbital interaction that allows electron to delocalize along the channel axis.As a consequence a higher conductance state is found. A similar feature is also found in a PbSe nanowire junction, which suggests that this model can be used universally to explain the gate field induced switching of current in lead-chalcogenide nanowire junctions.

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mentioning

confidence: 99%

Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction

Mandal

Pati

2011

Phys. Rev. B

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“…Therefore, the lattice mismatch between the Mn 2 CoAl electrode and Ag is very small. The spin-dependent transport properties calculations are based on a state-of-the-art technique where DFT is combined with the Keldysh nonequilibrium Green's function (NEGF) theory, as implemented in the Nanodcal package [31,32].…”

Section: Calculation Methodsmentioning

confidence: 99%

Interface Characterization of Current-Perpendicular-to-Plane Spin Valves Based on Spin Gapless Semiconductor Mn2CoAl

et al. 2018

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Employing the first-principles calculations within density functional theory (DFT) combined with the nonequilibrium Green's function, we investigated the interfacial electronic, magnetic, and spin transport properties of Mn 2 CoAl/Ag/Mn 2 CoAl current-perpendicular-to-plane spin valves (CPP-SV). Due to the interface rehybridization, the magnetic moment of the interface atom gets enhanced. Further analysis on electronic structures reveals that owing to the interface states, the interface spin polarization is decreased. The largest interface spin polarization (ISP) of 78% belongs to the MnCo T -terminated interface, and the ISP of the MnMn T1 -terminated interface is also as high as 45%. The transmission curves of Mn 2 CoAl/Ag/Mn 2 CoAl reveal that the transmission coefficient at the Fermi level in the majority spin channel is much higher than that in the minority spin channel. Furthermore, the calculated magnetoresistance (MR) ratio of the MnCo T -terminated interface reaches up to 2886%, while that of the MnMn T1 -terminated interface is only 330%. Therefore, Mn 2 CoAl/Ag/Mn 2 CoAl CPP-SV with an MnCo-terminated interface structure has a better application in a spintronics device.

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“…The NEGF formalism of Keldysh, Kadanorf and Baym has usually been employed in conjunction with the density-functional-theory (DFT) based first-principles calculation methods to calculate transport properties of molecular junctions. For examples, Xue and Ratner [28] carried out a microscopic study of end group effect on electrical transport through individual molecules, Kondo et al [29] studied the contact-structure dependence of transport properties of a single BDT molecule between Au(111) electrodes, Chen et al [30] studied the control of substituent ligand over current through molecular devices, and Waldron et al [31] studied nonlinear spin current and magnetoresistance of a Ni-BDT-Ni molecular magnetic tunnel junction (MTJ). On the other hand, Geng et al [32] used the Lippmann-Schwinger scattering method in conjunction with DFT studied the impact of metal electrode and molecular orientation on the conductance of a single BDT molecule.…”

Section: Introductionmentioning

confidence: 99%

The electronic and transport properties of a molecular junction studied by an integrated piecewise thermal equilibrium approach

Tsai

Tang

2008

Journal of Applied Physics

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An integrated piecewise thermal equilibrium approach based on the first-principles calculation method has been developed to calculate bias dependent electronic structures and current-and differential conductance-voltage characteristics of the gold-benzene-1,4-dithiol-gold molecular junction. The calculated currents and differential conductance have the same order of magnitude as experimental ones. An electron transfer was found between the two electrodes when a bias is applied, which renders the two electrodes to have different local electronic structures. It was also found that when Au 5d electrons were treated as core electrons the calculated currents were overestimated, which can be understood as an underestimate of the Au-S covalent bonding and consequently the contact potential barrier and the replacement of delocalized Au 5d carriers by more itinerant delocalized Au 6sp carriers in the electrodes.

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Nonlinear Spin Current and Magnetoresistance of Molecular Tunnel Junctions

Cited by 364 publications

References 41 publications

Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction

Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction

Interface Characterization of Current-Perpendicular-to-Plane Spin Valves Based on Spin Gapless Semiconductor Mn2CoAl

The electronic and transport properties of a molecular junction studied by an integrated piecewise thermal equilibrium approach

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