Irmer, Susanne and Kochan, Denis and Lee, Jeongsu and Fabian, Jaroslav (2018) Resonant scattering due to adatoms in graphene: Top, bridge, and hollow positions. PHYSICAL REVIEW B, 97 (7): 075417. ISSN 2469-9950, 2469-9969
Full text not available from this repository. (Request a copy)Abstract
We present a theoretical study of resonance characteristics in graphene from adatoms with s or p(z) character binding in top, bridge, and hollow positions. The adatoms are described by two tight-binding parameters: on-site energy and hybridization strength. We explore a wide range of different magnitudes of these parameters by employing T-matrix calculations in the single adatom limit and by tight-binding supercell calculations for dilute adatom coverage. We calculate the density of states and the momentum relaxation rate and extract the resonance level and resonance width. The top position with a large hybridization strength or, equivalently, small on-site energy, induces resonances close to zero energy. The bridge position, compared to top, is more sensitive to variation in the orbital tight-binding parameters. Resonances within the experimentally relevant energy window are found mainly for bridge adatoms with negative on-site energies. The effect of resonances from the top and bridge positions on the density of states and momentum relaxation rate is comparable and both positions give rise to a power-law decay of the resonant state in graphene. The hollow position with s orbital character is affected from destructive interference, which is seen from the very narrow resonance peaks in the density of states and momentum relaxation rate. The resonant state shows no clear tendency to a power-law decay around the impurity and its magnitude decreases strongly with lowering the adatom content in the supercell calculations. This is in contrast to the top and bridge positions. We conclude our study with a comparison to models of pointlike vacancies and strong midgap scatterers. The latter model gives rise to significantly higher momentum relaxation rates than caused by single adatoms.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | INTEGRATION; TRANSPORT; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 19 Mar 2020 12:17 |
| Last Modified: | 19 Mar 2020 12:17 |
| URI: | https://pred.uni-regensburg.de/id/eprint/15042 |
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