861 citations · 5.8k across the 80 of their papers we have counts for
8 papers · 1 filter
Orbitally controlled Kondo effect of Co ad-atoms on graphene
T. O. Wehling, A. V. Balatsky, M. I. Katsnelson +2
Based on ab-initio calculations we identify possible scenarios for the Kondo effect due to Co ad-atoms on graphene. General symmetry arguments show that for magnetic atoms in high-…
About the strength of correlation effects in the electronic structure of iron
J. Sanchez-Barriga, J. Fink, V. Boni +13
The strength of electronic correlation effects in the spin-dependent electronic structure of ferromagnetic bcc Fe(110) has been investigated by means of spin and angle-resolved pho…
Correlated band theory of spin and orbital contributions to Dzyaloshinskii-Moriya interactions
M. I. Katsnelson, Y. O. Kvashnin, V. V. Mazurenko +1
A new approach for calculations of Dzyaloshinskii-Moriya interactions in molecules and crystals is proposed. It is based on the exact perturbation expansion of total energy of weak…
Half-metallicity in NiMnSb: a Variational Cluster Approach with ab-initio parameters
H. Allmaier, L. Chioncel, E. Arrigoni +2
Electron correlation effects in the half-metallic ferromagnet NiMnSb are investigated within a combined density functional and many-body approach. Starting from a realistic multi-o…
gamma-Mn at the border between weak and strong correlations
I. Di Marco, J. Minár, J. Braun +5
We investigate the role of magnetic fluctuations in the spectral properties of paramagnetic gamma-Mn. Two methods are employed. The Local Density Approximation plus Dynamical Mean-…
Metal-insulator transition and magnetism in correlated band insulator: FeSi and FeCoSi
V. V. Mazurenko, A. O. Shorikov, A. V. Lukoyanov +4
The LDA+DMFT (local density approximation combined with dynamical mean-field theory) computation scheme has been used to study spectral and magnetic properties of FeSi and Fe$_{1-x…