Gate-tunable magnetism of C adatoms on graphene

Article

关键词: TOTAL-ENERGY CALCULATIONS;    ELECTRONIC-STRUCTURE;    INDIRECT EXCHANGE;    GRAPHITE;    FERROMAGNETISM;    SPINTRONICS;    ADSORPTION;    STATE;   

DOI  :  10.1103/PhysRevB.99.035441

来源: SCIE

【 摘 要 】

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 1 mu(B) 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.

【 授权许可】

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