861 citations · 5.8k across the 80 of their papers we have counts for
12 papers · 1 filter
Relativistic exchange interactions in CrX (X=Cl, Br, I) monolayers
Y. O. Kvashnin, A. Bergman, A. I. Lichtenstein +1
It has been predicted theoretically and indirectly confirmed experimentally that single-layer CrX (X=Cl, Br, I) might be the prototypes of topological magnetic insulators (TMI)…
Midgap states and band gap modification in defective graphene/h-BN heterostructures
B. Sachs, T. O. Wehling, M. I. Katsnelson +1
The role of defects in van der Waals heterostructures made of graphene and hexagonal boron nitride (h-BN) is studied by a combination of ab initio and model calculations. Despite t…
Microscopic origin of Heisenberg and non-Heisenberg exchange interactions in ferromagnetic bcc Fe
Y. O. Kvashnin, R. Cardias, A. Szilva +6
By means of first principles calculations we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure re…
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…
Magnetoelastic coupling in iron
S. V. Okatov, Yu. N. Gornostyrev, A. I. Lichtenstein +1
Exchange interactions in α- and γ-Fe are investigated within an ab-initio spin spiral approach. We have performed total energy calculations for different magnetic structures as a f…
Two-Site Kondo Effect in Atomic Chains
N. Néel, R. Berndt, J. Kröger +3
Linear CoCu_nCo clusters on Cu(111) are fabricated by means of atomic manipulation. They represent a two-site Kondo system with tunable interaction. Scanning tunneling spectroscopy…