Tuning the spintronic properties of graphene with atomically precise Au clusters

Keijers, Wout; Murugesan, R.; Libeert, Guillaume; Scheerder, Jeroen; Raes, Bart; Brems, Steven; Gendt, Stefan De; Houssa, Michel; Janssens, Ewald; Vondel, Joris Van de

doi:10.1088/2515-7639/ac29a0

Cited by 6 publications

(15 citation statements)

References 62 publications

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“…Ballistic transport simulations and transmission spectrum calculations are performed to study the size-dependent influence of the Au n clusters on the current-voltage characteristics. Those findings are related to recent experimental work of Scheerder et al and Keijers et al, dealing with the doping and spin-scattering mechanisms for Au n clusters (n = 3, 6) adsorbed on graphene field-effect transistors [34,37].…”

Section: Introductionsupporting

confidence: 80%

Interaction of graphene with Au _n clusters: a first-principles study

Murugesan¹,

Meng²,

Volder³

et al. 2022

J. Phys.: Condens. Matter

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The interaction between Aun (n=1-6) clusters and graphene is studied using first-principles simulations, based on density functional theory. The computed binding energy between Aun and graphene depends on the number of atoms in the cluster and lies between -0.6 eV and -1.7 eV, suggesting (weak) chemisorption of the clusters on graphene, rather than physisorption. Overall, the electronic properties, spin-orbit interaction and spin texture, as well as the transport properties of graphene strongly depend on the precise size of the Aun clusters. Doping of graphene is predicted for clusters with an odd number of Au atoms, due to overlap between Au s and carbon pz states close to the Fermi level. On the other hand, there is no charge transfer between even size Au clusters and graphene, but a gap is formed at the Dirac cone, due to the breaking of the pseudospin inversion symmetry of graphene’s lattice. The adsorbed Aun clusters induce spin-orbit interactions as well as spin and pseudospin interactions in graphene, as indicated by the splitting of the electronic band structure. A hedgehog spin texture is also predicted for adsorbed clusters with an even number of Au atoms. Ballistic transport simulations are performed to study the influence of the adsorbed clusters on graphene’s electronic transport properties. The influence of the cluster on the electron transmission across the structure depends on the mixing of the valence orbitals in the transport energy window. In the specific case of the Au3/graphene system, the adsorbed clusters reduce the transmission and the conductance of graphene. The Au3 clusters act as “scattering centres” for charge carriers, in agreement with recent experimental studies.

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Section: Introductionsupporting

confidence: 80%

Interaction of graphene with Au _n clusters: a first-principles study

Murugesan¹,

Meng²,

Volder³

et al. 2022

J. Phys.: Condens. Matter

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“…For example, Van de Vondel et al demonstrated that Au NC decoration to graphene shifts the behavior as field effect transistor and also spintronic devices due to the interaction. [102][103][104] A critical size for transition from molecular-like to plasmonic excitation was investigated by the time-resolved two-photon photoemission (2PPE) of soft-landed Ag n NCs on fullerene (C 60 )…”

Section: Intact Deposition Of Ncs and Their Application To Functional...mentioning

confidence: 99%

“…For example, Van de Vondel et al demonstrated that Au NC decoration to graphene shifts the behavior as a field effect transistor and also spintronic devices due to the interaction. [102][103][104] A critical size for the transition from molecular-like to plasmonic excitation was investigated by the time-resolved two-photon photoemission (2PPE) of soft-landed Ag n NCs on the fullerene (C 60 ) substrate, which resulted in 9-mer as the critical size. 27 Plasmonic NC can work as a sensitizer for surface plasmon polariton propagating along the buried organic/metal interface of C 60 /Au (111).…”

Section: Intact Deposition Of Ncs and Their Application To Functional...mentioning

confidence: 99%

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Bridging the gas and condensed phases for metal-atom encapsulating silicon- and germanium-cage superatoms: electrical properties of assembled superatoms

Yokoyama

Nakajima

2023

Phys. Chem. Chem. Phys.

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“…So far not much effort has been made in studying the size dependent proximity effect of atomic clusters, presumably because the clusters may aggregate, and their size-selective fabrication and controlled deposition is challenging. Notably, in the work of Scheerder et al and Keijers et al, size specific adsorption of Au n clusters (n = 3 & 6) on graphene was experimentally demonstrated and the later studied the variation of the induced SOC strength for different cluster sizes [24,25]. Upon comparing with the spin-splitting obtained from density functional theory (DFT) simulations, they were able to identify the spin relaxation mechanism of the Au n clusters/graphene systems as being primarily the Elliot-Yafet (EY) like mechanism.…”

Section: Introductionmentioning

confidence: 99%

Tuning the spin texture of graphene with size-specific Cu _n clusters: a first-principles study

et al. 2023

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The size dependent interaction of Cun (n = 1‒5) clusters with pristine and defective (C-vacancy) graphene is studied by employing density functional theory. The computed binding energies are in the range of ~0.5 eV for pristine graphene and ~3.5 eV for defective graphene, indicating a much stronger interaction in the later system. The induced spin-orbit coupling interaction, due to the proximity of the Cun cluster, is studied with non-collinear spin-polarized simulations. The clusters cause a spin splitting in the order of few meV. The resultant low energy bands spin textures are also computed, and a spin-valley coupling in the case of even atom clusters on pristine graphene is predicted, leading to the emergence of a spin lifetime anisotropy. For defective graphene, a complete out-of-plane spin texture and a large spin splitting of 40-100 meV is obtained for Cun (n = 1, 2, 3, 5) clusters due to local magnetic moment. On the other hand, for Cu4/defective graphene, having no net magnetic moment, the spin-valley coupling prevails close to the band edges.

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Tuning the spintronic properties of graphene with atomically precise Au clusters

Cited by 6 publications

References 62 publications

Interaction of graphene with Au _n clusters: a first-principles study

Interaction of graphene with Au _n clusters: a first-principles study

Bridging the gas and condensed phases for metal-atom encapsulating silicon- and germanium-cage superatoms: electrical properties of assembled superatoms

Tuning the spin texture of graphene with size-specific Cu _n clusters: a first-principles study

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Tuning the spintronic properties of graphene with atomically precise Au clusters

Cited by 6 publications

References 62 publications

Interaction of graphene with Au n clusters: a first-principles study

Interaction of graphene with Au n clusters: a first-principles study

Bridging the gas and condensed phases for metal-atom encapsulating silicon- and germanium-cage superatoms: electrical properties of assembled superatoms

Tuning the spin texture of graphene with size-specific Cu n clusters: a first-principles study

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Interaction of graphene with Au _n clusters: a first-principles study

Interaction of graphene with Au _n clusters: a first-principles study

Tuning the spin texture of graphene with size-specific Cu _n clusters: a first-principles study