Signatures of Molecular Magnetism in Single-Molecule Transport Spectroscopy

Jo, Moon‐Ho; Grose, Jacob E.; Baheti, Kanhayalal; Deshmukh, Mandar M.; Sokol, Jennifer J.; Rumberger, E. M.; Hendrickson, David N.; Long, Jeffrey R.; Park, Hongkun; Ralph, D. C.

doi:10.1021/nl061212i

Cited by 340 publications

(302 citation statements)

References 38 publications

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“…25 In the geometry with the Au-Au bonding ͓Geo 1 : Au-͑AuC 3 The study of the geometries with physisorption and without linker molecules, was motivated by the transport measurement through the Mn 12 without any linker molecules. 2 We consider such geometries in the orientation ͑2͒. In the geometry with the Au-H bonding ͓Geo 2:Au-H-no-linker, Fig.…”

Section: A Interface Geometries Consideredmentioning

confidence: 99%

“…Recently, molecular junctions based on single-molecule magnets ͑SMMs͒ connected to electrodes or monolayers of SMMs at surfaces, have been fabricated and their electron-transport characteristics [1][2][3][4][5][6] have been measured, as well as their mechanical, electronic, and magnetic properties. [7][8][9][10][11][12][13] Electron transport through an SMM drew a lot of attention because of the intriguing interplay between its transport properties and the internal magnetic degrees of freedom, which is absent in transport through small organic molecules.…”

Section: Introductionmentioning

confidence: 99%

“…Thus, most transport experiments through an Mn 12 within Au electrodes were performed on systems where the Mn 12 molecules are chemically bonded to surfaces or electrodes via linker molecules such as a thiol group, 1,3,5 or physically adsorbed onto surfaces or electrodes without any linker molecules. 2 To form direct Au-S bonding, some of the original ligands of the Mn 12 molecules 30 were substituted by S-containing ligands or the Mn 12 molecules were deposited onto an Au surface that was initially functionalized with S-containing alkane chains. 5 So far, the measured electric current through an Mn 12 molecule or its derivative in various experiments is in the range of 1-100 pA at bias voltage of a few tens of mV.…”

Section: Introductionmentioning

confidence: 99%

“…5 So far, the measured electric current through an Mn 12 molecule or its derivative in various experiments is in the range of 1-100 pA at bias voltage of a few tens of mV. 1,2,5 Compared to binding a small organic molecule to Au electrodes through a thiol or amine group, binding an Mn 12 to Au electrodes via linker molecules bears the following differences: ͑a͒ an Mn 12 has much more binding sites to the linker molecules and ͑b͒ the orientation of an Mn 12 relative to the electrodes is, to a great extent, determined by binding sites of the linker molecules to the Mn 12 , rather than their binding sites to the electrodes.…”

Section: Introductionmentioning

confidence: 99%

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Effects of bonding type and interface geometry on coherent transport through the single-molecule magnetMn12

et al. 2010

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We examine theoretically coherent electron transport through the single-molecule magnet Mn 12 , bridged between Au͑111͒ electrodes, using the nonequilibrium Green's function method and the density-functional theory. We analyze the effects of bonding type, molecular orientation, and geometry relaxation on the electronic properties and charge and spin transport across the single-molecule junction. We consider nine interface geometries leading to five bonding mechanisms and two molecular orientations: ͑i͒ Au-C bonding, ͑ii͒ Au-Au bonding, ͑iii͒ Au-S bonding, ͑iv͒ Au-H bonding, and ͑v͒ physisorption via van der Waals forces. The two molecular orientations of Mn 12 correspond to the magnetic easy axis of the molecule aligned perpendicular ͓hereafter denoted as orientation ͑1͔͒ or parallel ͓orientation ͑2͔͒ to the direction of electron transport. We find that the electron transport is carried by the lowest unoccupied molecular orbital ͑LUMO͒ level in all the cases that we have simulated. Relaxation of the junction geometries mainly shifts the relevant occupied molecular levels toward the Fermi energy as well as slightly reduces the broadening of the LUMO level. As a result, the current slightly decreases at low bias voltage. Our calculations also show that placing the molecule in the orientation ͑1͒ broadens the LUMO level much more than in the orientation ͑2͒ due to the internal structure of the Mn 12 . Consequently, junctions with the former orientation yield a higher current than those with the latter. Among all of the bonding types considered, the Au-C bonding gives rise to the highest current ͑about one order of magnitude higher than the Au-S bonding͒, for a given distance between the electrodes. The current through the junction with other bonding types decreases in the order of Au-Au, Au-S, and Au-H. Importantly, the spin-filtering effect in all the nine geometries stays robust and their ratios of the majority-spin to the minorityspin transmission coefficients are in the range of 10 3 -10 8 . The general trend in transport among the different bonding types and molecular orientations obtained from this study may be applicable to other single-molecule magnets.

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Section: A Interface Geometries Consideredmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Effects of bonding type and interface geometry on coherent transport through the single-molecule magnetMn12

et al. 2010

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“…formations leads to numerous novel quantum transport phenomena that go beyond the physics observed in other nanosized objects such as quantum dots [1][2][3][4][5][6][7][8][9][10][11][12][13][14]. An essential requirement for electric circuits of nanoscale dimensions is a molecular device that can be switched between two distinct conductive states.…”

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confidence: 99%

Current-induced conformational switching in single-molecule junctions

et al. 2008

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Molecular Nanomagnets

Wernsdorfer¹

2007

Handbook of Magnetism and Advanced Magnetic Materials

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Molecular nanomagnets (or single‐molecule magnets (SMMs)) have attracted much interest in recent years both from experimental and theoretical points of view. These systems are organometallic clusters characterized by a large‐spin ground state with a predominant uniaxial anisotropy. The quantum nature of these systems makes them very appealing for phenomena occurring on the mesoscopic scale, that is, at the boundary between classical and quantum physics. Below their blocking temperature, they exhibit magnetization hysteresis, the classical macroscale property of a magnet, as well as quantum tunneling of magnetization (QTM) and quantum phase interference, the properties of a microscale entity. QTM is advantageous for some potential applications of SMMs, for example, in providing the quantum superposition of states for quantum computing, but it is a disadvantage in others such as information storage. It is widely accepted that SMMs have a potential for quantum computation, in particular, because they are extremely small and almost identical, allowing to obtain, in a single measurement, statistical averages of a larger number of qubits. This chapter introduces a few basic concepts that are needed to understand the quantum phenomena observed in molecular nanomagnets and it concludes by mentioning new trends of the field of molecular nanomagnets toward molecular spintronics.

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Signatures of Molecular Magnetism in Single-Molecule Transport Spectroscopy

Cited by 340 publications

References 38 publications

Effects of bonding type and interface geometry on coherent transport through the single-molecule magnetMn12

Effects of bonding type and interface geometry on coherent transport through the single-molecule magnetMn12

Current-induced conformational switching in single-molecule junctions

Molecular Nanomagnets

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