304 citations · 2.4k across the 44 of their papers we have counts for
44 papers
Dy adatom on MgO(001) substrate: DFT+U(HIA) study
Alexander B. Shick, Eduard Belsch, Alexander I. Lichtenstein
The electronic structure and magnetism of individual Dy atom adsorbed on the MgO(001) substrate is investigated using the combination of the density functional theory with the Hubb…
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…
Spin-Orbit Coupling Induced Degeneracy in the Anisotropic Unconventional Superconductor UTe
Alexander B. Shick, Warren E. Pickett
The orthorhombic uranium dichalcogenide UTe displays superconductivity below 1.7 K, with the anomalous feature of retaining 50 of normal state (ungapped) carriers, accordin…
The role of non-spherical double counting in DFT+DMFT: total energy and structural optimization of pnictide superconductors
Oleg Kristanovski, Alexander Shick, Frank Lechermann +1
A simple scheme for avoiding non-spherical double counting in the combination of density func- tional theory with dynamical mean-field theory (DFT+DMFT)is developed. It is applied…