From microelectronics to molecular spintronics: an explorer's travelling guide

Ferrer, Jaime; García‐Suárez, Víctor M.

doi:10.1039/b810617g

Cited by 51 publications

(25 citation statements)

References 198 publications

(346 reference statements)

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“…In addition, using molecules to bridge graphene nanojunctions should furnish the array of expected applications of graphene electronics with a whole suite of new functionalities. [8][9][10] A crucial pending issue for the use of graphene nanoelectronics is the difficulty in controlling the edges of graphene sheets. This could not only influence the electronic properties of the graphene electrodes but it could also change arbitrarily the coupling and switching functionality of the molecules attached.…”

Section: Introductionmentioning

confidence: 99%

Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

2012

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We present an ab initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin filtering, and negative differential resistance effects may or may not arise by modifying suitably the edge shapes and the terminating groups of simple organic molecules. We show that the spin filtering effect is a consequence of the magnetic behavior of zigzag-terminated edges, which is enhanced by furnishing these with a wedge shape. The negative differential resistance effect is originated by the presence of two degenerate electronic states localized at each of the atoms coupling the molecule to graphene which are strongly affected by a bias voltage. The effect could thus be tailored by a suitable choice of the molecule and contact atoms if edge shape could be controlled with atomic precision.

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Section: Introductionmentioning

confidence: 99%

Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

2012

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“…[14][15][16][17] Recent systematic ab initio calculations of the freestanding binary Mo 4−x Fe x clusters in the whole range of concentrations have shown that certain isomers can be good candidates for molecular electronic devices. 18 In particular, it has been shown that the stable linear isomer of Mo 2 Fe 2 is formed by two Fe atoms separated by a nearly nonmagnetic Mo dimer.…”

Section: Introductionmentioning

confidence: 99%

Charge and spin transport properties of Mo2X2(X= Fe,Co,Ni) molecular contacts

et al. 2012

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We present a first-principles study of the electronic and transport properties of linear clusters Mo 2 X 2 (X = Fe,Co,Ni), formed by two X atoms separated by a nearly nonmagnetic Mo dimer, connected to gold electrodes. Density functional theory, as implemented in the SIESTA code with the generalized gradient approximation, is used to determine the spin-polarized electronic structure of the molecular contact for relaxed distances. We show that the Mo 2 X 2 clusters anchored to the gold electrodes have two different magnetic states, corresponding to the spin isomers found in the freestanding environment, one of which has parallel magnetic coupling between the X atoms across the Mo dimer and another that has antiparallel coupling. The transmission coefficients, current-voltage characteristics, and conductivity are then computed with the SMEAGOL code for the two magnetic states. We show that this system presents spin-filtering properties and magnetoresistance driven by the magnetic state of the molecular contact.

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“…Initially, these two disciplines did not overlap significantly [7][8][9]. However, more recently, a link has been established between spintronics and molecular electronics as interest has grown in the use of magnetically ordered molecular clusters for electronic transport [10][11][12][13][14][15]. For example, nanosized Fe-or Mn-based single molecule magnets (SMMs), which can potentially serve as magnetically-functional units or logic devices, have been extensively studied [16][17][18][19][20].…”

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confidence: 99%

Negative magnetoresistance and spin filtering of spin-coupled di-iron-oxo clusters

2014

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Spin dependent transport has been investigated for an open shell singlet diiron-oxo cluster. Currents and magnetoresistances have been studied, as a function of spin state, within the nonequilibrium Green's function approach. The applied bias can be used for tuning the sign of the observed magnetoresistance. A colossal magnetoresistance ratio has been determined, on the order of to 6000%, for hydrogen anchoring. Applied biases lower than 0.3 V, in conjunction with sulfur anchoring, induce a negative magnetoresistance due to lowering of the anchor-scatterer tunneling barrier. In addition, the diiron-oxo cluster displays nearly perfect spin filtering for parallel alignment of the iron magnetic moments due to energetic proximity, relative to the Fermi level, of its highest occupied molecular orbitals.PACS numbers: 85.65.+h, 75.47.Gk

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From microelectronics to molecular spintronics: an explorer's travelling guide

Cited by 51 publications

References 198 publications

Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

Charge and spin transport properties of Mo2X2(X= Fe,Co,Ni) molecular contacts

Negative magnetoresistance and spin filtering of spin-coupled di-iron-oxo clusters

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