Qiang Sun¹, Xuelin Yao², Oliver Gröning¹, Kristjan Eimre¹, Carlo A. Pignedoli^1*, Klaus Müllen², Akimitsu Narita^2,3, Roman Fasel^1,4, Pascal Ruffieux^1*

1 Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland

2 Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

3 Organic and Carbon Nanomaterials Unit, Okinawa Institute of Science and Technology Graduate University 1919-1 Tancha, Onna-son, Kunigami-gun, Okinawa 904-0495, Japan

4 Department of Chemistry and Biochemistry, University of Bern, 3012 Bern, Switzerland

* Corresponding authors emails: carlo.pignedoli@empa.ch, pascal.ruffieux@empa.ch

DOI10.24435/materialscloud:4b-jt [version v1]

Publication date: Oct 12, 2020

How to cite this record

Qiang Sun, Xuelin Yao, Oliver Gröning, Kristjan Eimre, Carlo A. Pignedoli, Klaus Müllen, Akimitsu Narita, Roman Fasel, Pascal Ruffieux, Coupled spin states in armchair graphene nanoribbons with asymmetric zigzag edge extensions, Materials Cloud Archive 2020.115 (2020), doi: 10.24435/materialscloud:4b-jt.

Description

In this record we provide data supporting our recent work on coupled spin states in armchair nanoribbons. Exact positioning of sublattice imbalanced nanostructures in graphene nanomaterials offers a route to control interactions between induced local magnetic moments and to obtain graphene nanomaterials with magnetically nontrivial ground states. Our results reveal that such sublattice imbalanced nanostructures can be incorporated along a large band gap armchair graphene nanoribbon on the basis of asymmetric zigzag edge extensions, achieved by incorporating specifically designed precursor monomers. Scanning tunneling spectroscopy of an isolated and electronically decoupled zigzag edge extension reveals Hubbard-split states in accordance with theoretical predictions. Mean-field Hubbard-based modeling of pairs of such zigzag edge extensions reveals ferromagnetic, antiferromagnetic, or quenching of the magnetic interactions depending on the relative alignment of the asymmetric edge extensions. Moreover, a ferromagnetic spin chain is demonstrated for a periodic pattern of zigzag edge extensions along the nanoribbon axis.

Materials Cloud sections using this data

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ReadMe.yaml MD5md5:e2ad162a53e403ab417e7d08ae5dcf3f	28.7 KiB	ReadMe file in yaml format listing the files contained in the record
data.tgz MD5md5:3dc47ef2cb39f61c60bcc03b4099d296	12.7 MiB	Archive file containing all remaining files
dft_calculations.aiida MD5md5:d9b3b0f29db24b6edfdad1be1f530ddb Open this AiiDA archive on renkulab.io (https://renkulab.io/)	1.7 GiB	Archive of nodes for the provenance of dft calculations done with AiiDA

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External references

Keywords

graphene nanoribbon carbon magnetism on-surface synthesis MARVEL/DD3 SNSF CSCS