304 citations · 2.4k across the 44 of their papers we have counts for
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Spin-orbit coupling and Kondo resonance in Co adatom on Cu(100) surface: DFT+ED study
A. B. Shick, M. Tchaplianka, A. I. Lichtenstein
We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations for the Co adatom on the top of Cu(001) surface. For the Co…
UTe: a nearly insulating half-filled heavy fermion metal
Alexander B. Shick, Shin-ichi Fujimori, Warren E. Pickett
Correlated band theory implemented as a combination of density functional theory with exact diagonalization [DFT+U(ED)] of the Anderson impurity term with Coulomb repulsion in…
First-principles study of the electronic and magnetic properties of cubic GdCu compound
Vikas Kashid, Ersoy Şaşıoğlu, Gustav Bihlmayer +2
The structural, electronic, and magnetic properties of bulk GdCu (CsCl-type) are investigated using spin density functional theory, where highly localized orbitals are treated…
Probing magnetism in the vortex phase of PuCoGa by X-ray magnetic circular dichroism
N. Magnani, R. Eloirdi, F. Wilhelm +6
We have measured X-ray magnetic circular dichroism (XMCD) spectra at the Pu absorption edges from a newly-prepared high-quality single crystal of the heavy fermion superc…
Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
Agnieszka L. Kozub, Alexander B. Shick, Frantisek Maca +2
The electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U,…
Tuning emergent magnetism in a Hund's impurity
A. A. Khajetoorians, M. Valentyuk, M. Steinbrecher +7
The recently proposed theoretical concept of a Hund's metal is regarded as a key to explain the exotic magnetic and electronic behavior occuring in the strongly correlated electron…