A1 Journal article (refereed), original research

Gate-tunable magnetism of C adatoms on graphene

Open Access publication

Publication Details
Authors: Nokelainen Johannes, Rozhansky Igor, Barbiellini Bernardo, Lähderanta Erkki, Pussi Katariina
Publisher: American Physical Society
Publication year: 2019
Language: English
Related Journal or Series Information: Physical review B: Condensed matter and materials physics
Volume number: 99
Issue number: 3
Start page: 035441
ISSN: 1098-0121
eISSN: 1538-4489
JUFO-Level of this publication: 2
Open Access: Open Access publication
Location of the parallel saved publication: https://arxiv.org/abs/1805.06044


We have performed density functional theory calculations of graphene
decorated with carbon adatoms, which bind at the bridge site of a C–C
bond. Earlier studies have shown that the C adatoms have magnetic
moments and have suggested the possibility of ferromagnetism with high
Curie temperature. Here we propose to use a gate voltage to fine tune
the magnetic moments from zero to 1μB
while changing the magnetic coupling from antiferromagnetism to
ferromagnetism and again to antiferromagnetism. These results are
rationalized within the Stoner and Ruderman-Kittel-Kasuya-Yosida (RKKY)
models. When the SCAN meta-GGA (generalized gradient approximation)
correction is used, the magnetic moments for zero gate voltage are
reduced and the Stoner band ferromagnetism is slightly weakened in the
ferromagnetic region.

Last updated on 2020-20-03 at 10:03