We have studied numerically the local multiplet structure around a singe vacancy in graphene, based on the analysis of an effective Anderson model, consisting of three dangling sp2 orbitals of the surrounding carbon atoms around the vacancy and the pi orbitals of carbon atoms that form the honeycomb lattice with a single vacancy. Our calculations support qualitatively the previous experiment that suggests the emergence of free magnetic moment with two distinct origin.
The details of this studied have been published in the following journal.
Journal reference: Tomonori Shirakawa and Seiji Yunoki, “Local multiplet formation around a single vacancy in graphene: An effective Anderson model analysis based on the block-Lanczos DMRG method” Physical Review B 105, 184110 (2022).
DOI: https://doi.org/10.1103/PhysRevB.105.184110