Tailoring magnetism in silicon-doped zigzag graphene edges.

Sci Rep

Polimero eta Material Aurreratuak Fisika, Kimika eta Teknologia Saila, Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), M. de Lardizabal Pasealekua 3, Donostia, Euskadi, Spain.

Published: July 2022

AI Article Synopsis

  • Researchers have successfully doped the edges of single-layer graphene with silicon atoms using scanning transmission electron microscopy.
  • Density functional theory was utilized to analyze various silicon-doped zigzag-type graphene edges, focusing on their thermodynamic stability and properties.
  • The study reveals that silicon doping can change the spin orientation of adjacent carbon atoms, potentially giving rise to new magnetic properties for spintronic applications.

Article Abstract

Recently, the edges of single-layer graphene have been experimentally doped with silicon atoms by means of scanning transmission electron microscopy. In this work, density functional theory is applied to model and characterize a wide range of experimentally inspired silicon doped zigzag-type graphene edges. The thermodynamic stability is assessed and the electronic and magnetic properties of the most relevant edge configurations are unveiled. Importantly, we show that silicon doping of graphene edges can induce a reversion of the spin orientation on the adjacent carbon atoms, leading to novel magnetic properties with possible applications in the field of spintronics.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9338279PMC
http://dx.doi.org/10.1038/s41598-022-16902-zDOI Listing

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