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Electron correlations in MnGaAs as seen by resonant electron spectroscopy and dynamical mean field theory
I. Di Marco, P. Thunström, M. I. Katsnelson +5
After two decades from the discovery of ferromagnetism in Mn-doped GaAs, its origin is still debated, and many doubts are related to the electronic structure. Here we report an exp…
Graphene in periodic deformation fields: dielectric screening and plasmons
V. K. Dugaev, M. I. Katsnelson
We consider the effect of periodic scalar and vector potentials generated by periodic deformations of the graphene crystal lattice, on the energy spectrum of electrons. The depende…
Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by…
Enhanced Screening in Chemically Functionalized Graphene
Shengjun Yuan, T. O. Wehling, A. I. Lichtenstein +1
Resonant scatterers such as hydrogen adatoms can strongly enhance the low energy density of states in graphene. Here, we study the impact of these impurities on the electronic scre…
Effect of impurities on growth and morphology of cementite nanowires
D. W. Boukhvalov, M. I. Katsnelson, Yu. N. Gornostyrev
Effects of doping on morphology of iron carbide (cementite) nanowires have been explored by first principle electronic structure calculations. We examined the role of several reali…