Cu(111) supported graphene as a substrate for magnetic dimers with a large magnetic anisotropy: relativistic density-functional calculations
- Author(s)
- P. Blonski, J. Hafner
- Abstract
We report on our relativistic density-functional investigations of the properties of transition-metal dimers adsorbed on a graphene monolayer supported by a Cu(1 1 1) substrate, which extends our studies of dimers in the gas-phase and adsorbed on a freestanding graphene layer (Błoński and Hafner 2014 J. Phys.: Condens. Matter 26 146002). The presence of the Cu(1 1 1) substrate enhances the interaction between the dimer and the support. For homoatomic dimers such as Ir2 and Pt2 a flat adsorption geometry is now preferred over an upright geometry, which is stable on a graphene monolayer. The magnetic moment of the dimer is strongly reduced, the magnetic anisotropy is very low—in contrast to the strong anisotropy of free and graphene-supported Ir2 and Pt2 dimers. For heteroatomic IrCo and PtCo dimers the upright geometry with the Co atom located in a sixfold hollow of the graphene layer is preserved, but the stronger interaction with the support leads to a further enhancement of the large magnetic anisotropy energy of IrCo to 0.2 eV/dimer, while that of PtCo is reduced. The mechanism determining the magnetic anisotropy is discussed in relation to the electronic structure of the dimers.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Polish Academy of Sciences (PAS)
- Journal
- Journal of Physics: Condensed Matter
- Volume
- 26
- No. of pages
- 11
- ISSN
- 0953-8984
- DOI
- https://doi.org/10.1088/0953-8984/26/25/256001
- Publication date
- 06-2014
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103009 Solid state physics, 103015 Condensed matter, 103025 Quantum mechanics, 103036 Theoretical physics
- Keywords
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/cu111-supported-graphene-as-a-substrate-for-magnetic-dimers-with-a-large-magnetic-anisotropy-relativistic-densityfunctional-calculations(82e69fe2-fb44-48bc-bd78-9058cce2719a).html