Cobalt adatoms on graphene: effects of anisotropies on the correlated electronic structure

0498392 - FZÚ 2019 RIV US eng J - Článek v odborném periodiku
Mozara, R. - Valentyuk, M. - Krivenko, I. - Sasioglu, E. - Kolorenč, Jindřich - Lichtenstein, A.I.
Cobalt adatoms on graphene: effects of anisotropies on the correlated electronic structure.
Physical Review B. Roč. 97, č. 8 (2018), s. 1-11, č. článku 085133. ISSN 2469-9950. E-ISSN 2469-9969
Grant CEP: GA ČR GC15-05872J
Institucionální podpora: RVO:68378271
Klíčová slova: electronic-structure theory * surface absorption * graphene
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 3.736, rok: 2018

Impurities on surfaces experience a symmetry breaking induced not only by the on-site crystal-field splitting and the orbital-dependent hybridization, but also by different screening of the Coulomb interaction in different directions. We present a many-body study of the Anderson impurity model representing a Co adatom on graphene, taking into account all anisotropies of the effective Coulomb interaction, which we obtained by the constrained random-phase approximation. For the solution of the Anderson impurity model and analytical continuation of the Matsubara data, we employed new implementations of the continuous-time hybridization expansion quantum Monte Carlo and the stochastic optimization method, and we verified the results in parallel with the exact diagonalization method.
Trvalý link: http://hdl.handle.net/11104/0290767