Theory of magnetoresistance of organic molecular tunnel junctions with nonmagnetic electrodes

Shi, Sha; Xie, Zuoti; Liu, Feilong; Smith, D. L.; Frisbie, C. Daniel; Ruden, P. P.

doi:10.1103/physrevb.95.155315

Cited by 6 publications

(7 citation statements)

References 21 publications

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“…Unidirectional ring currents will give rise to a magnetic eld and even [n]cumulenes may therefore exhibit magnetoresistance. [85][86][87] Such effects have recently been demonstrated in more complex molecular systems at room temperature, [88][89][90][91] and would be remarkable to nd in a truly linear atomic wire. Furthermore, if there is signicant coupling to the electron spin [n]cumulenes could potentially function as spin lters.…”

Section: Discussionmentioning

confidence: 97%

Helical orbitals and circular currents in linear carbon wires

et al. 2019

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Section: Discussionmentioning

confidence: 97%

Helical orbitals and circular currents in linear carbon wires

et al. 2019

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“…Likewise, the role of interfaces (possibly combined with the collective properties of molecular assemblies) for magnetic signatures in electron transport was explored experimentally. [84][85][86] In addition, going from a focus on a spin-polarizing helix to a full circuit analysis has been suggested. 87 Beyond the description of exchange/electronic interactions, intermolecular and interface effects, it may be important to consider nuclear dynamics, as well as electronic.…”

Section: First-principles Simulations With Chiral Degrees Of Freedommentioning

confidence: 99%

“…While past experience with DFT for spin-polarized molecules suggests caution, these results point to intermolecular interactions and interfaces being important for the first-principles description of CISS. Likewise, the roles of interfaces (possibly combined with the collective properties of molecular assemblies) for magnetic signatures in electron transport were explored experimentally. − In addition, going from a focus on a spin-polarizing helix to a full circuit analysis has been suggested . Beyond the description of exchange/electronic interactions, intermolecular and interface effects, it may be important to consider nuclear dynamics as well as electronic dynamics. , …”

Section: Chiral-induced Spin Selectivity: Recent Advancesmentioning

confidence: 99%

A Chirality-Based Quantum Leap

Aiello¹,

Abbas²,

Abendroth³

et al. 2022

ACS Nano

119

126

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There is increasing interest in the study of chiral degrees of freedom occurring in matter and in electromagnetic fields. Opportunities in quantum sciences will likely exploit two main areas that are the focus of this Review: (1) recent observations of the chiral-induced spin selectivity (CISS) effect in chiral molecules and engineered nanomaterials and (2) rapidly evolving nanophotonic strategies designed to amplify chiral light–matter interactions. On the one hand, the CISS effect underpins the observation that charge transport through nanoscopic chiral structures favors a particular electronic spin orientation, resulting in large room-temperature spin polarizations. Observations of the CISS effect suggest opportunities for spin control and for the design and fabrication of room-temperature quantum devices from the bottom up, with atomic-scale precision and molecular modularity. On the other hand, chiral–optical effects that depend on both spin- and orbital-angular momentum of photons could offer key advantages in all-optical and quantum information technologies. In particular, amplification of these chiral light–matter interactions using rationally designed plasmonic and dielectric nanomaterials provide approaches to manipulate light intensity, polarization, and phase in confined nanoscale geometries. Any technology that relies on optimal charge transport, or optical control and readout, including quantum devices for logic, sensing, and storage, may benefit from chiral quantum properties. These properties can be theoretically and experimentally investigated from a quantum information perspective, which has not yet been fully developed. There are uncharted implications for the quantum sciences once chiral couplings can be engineered to control the storage, transduction, and manipulation of quantum information. This forward-looking Review provides a survey of the experimental and theoretical fundamentals of chiral-influenced quantum effects and presents a vision for their possible future roles in enabling room-temperature quantum technologies.

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“…Magnetoresistance has also been observed at room temperature in self-assembled monolayers which, at least formally, do not feature any unpaired spins. , This has been attributed to a (cooperative) interface effect. Since also in single-molecule conductance measurements, the molecule bridging between the electrodes is typically surrounded by other molecules of the same type due to the preparation process, intermolecular interactions and cooperative effects could also play a role in (formally) single-molecule experiments.…”

Section: Introductionmentioning

confidence: 97%

Design Considerations for Oligo(p-phenyleneethynylene) Organic Radicals in Molecular Junctions

et al. 2021

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Spin polarization in the electron transmission of radicals is important for understanding single-molecule conductance experiments focusing on shot noise, Kondo properties, or magnetoresistance. We study how stable radical substituents can affect such spin polarization when attached to oligo(p-phenyleneethynylene) (OPE) backbones. We find that it is not straightforward to translate the spin density on a stable radical substituent into spin-dependent transmission for the para-connected wires under study here, owing to increased steric interactions compared with meta-connected wires, and a resulting twisting of the radical substituent and OPE π systems. The most promising example is a t-butyl nitroxide substituent, which, despite little pronounced spin delocalization onto the backbone, yields a spindependent transmission feature, which one might be able to shift toward the Fermi energy by additional substituents. We also find that for bulkier substituents, dispersion interactions with the substituent can lead to twisting of one of the outer OPE rings, reducing the overall conductance. As a further potential design consideration, attaching radicals via linkers might increase the possibilities for spin-dependent intermolecular and molecule− electrode interactions.

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Theory of magnetoresistance of organic molecular tunnel junctions with nonmagnetic electrodes

Cited by 6 publications

References 21 publications

Helical orbitals and circular currents in linear carbon wires

Helical orbitals and circular currents in linear carbon wires

A Chirality-Based Quantum Leap

Design Considerations for Oligo(p-phenyleneethynylene) Organic Radicals in Molecular Junctions

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