Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Copper adatoms on graphene: theory of orbital and spin-orbital effects   We present a combined DFT and model Hamiltonian analysis of spin-orbit
coupling in graphene induced by copper adatoms in the bridge and top positions,
representing isolated atoms in the dilute limit. The orbital physics in both
systems is found to be surprisingly similar, given the fundamental difference
in the local symmetry. In both systems the Cu p and d contributions at the
Fermi level are very similar. Based on the knowledge of orbital effects we
identify that the main cause of the locally induced spin-orbit couplings are Cu
p and d orbitals. By employing the DFT+U formalism as an analysis tool we find
that both the p and d orbital contributions are equally important to spin-orbit
coupling, although p contributions to the density of states are much higher. We
fit the DFT data with phenomenological tight-binding models developed
separately for the top and bridge positions. Our model Hamiltonians describe
the low-energy electronic band structure in the whole Brillouin zone and allow
us to extract the size of the spin-orbit interaction induced by the local Cu
adatom to be in the tens of meV. By application of the phenomenological models
to Green's function techniques, we find that copper atoms act as resonant
impurities in graphene with large lifetimes of 50 and 100~fs for top and
bridge, respectively.

13
The categories of this paper are: quant-ph
25
The categories of this paper are: patt-sol
33
The categories of this paper are: plasm-ph
10
The categories of this paper are: q-bio
34
The categories of this paper are: chem-ph
32
The categories of this paper are: atom-ph
27
The categories of this paper are: comp-gas
11
The categories of this paper are: hep-lat
29
The categories of this paper are: funct-an
5
The categories of this paper are: gr-qc
28
The categories of this paper are: alg-geom
18
The categories of this paper are: econ
24
The categories of this paper are: dg-ga
14
The categories of this paper are: math-ph
20
The categories of this paper are: acc-phys
3
The categories of this paper are: physics