304 citations · 2.4k across the 44 of their papers we have counts for
19 papers · 1 filter
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…
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…
Magnetic anisotropy in antiferromagnetic hexagonal MnTe
D. Kriegner, H. Reichlova, J. Grenzer +12
Antiferromagnetic hexagonal MnTe is a promising material for spintronic devices relying on the control of antiferromagnetic domain orientations. Here we report on neutron diffracti…
Surface-termination dependent magnetism and strong perpendicular magnetocrystalline anisotropy of a FeRh (001) thin film: A density-functional study
Soyoung Jekal, S. H. Rhim, Soon Cheol Hong +2
Magnetism of FeRh (001) films strongly depends on film thickness and surface terminations. While magnetic ground state of bulk FeRh is G-type antiferromagnetism, the Rh-terminated…
Non-magnetic ground state of PuO
A. B. Shick, J. Kolorenc, L. Havela +2
The correlated band theory implemented as a combination of the local density approximation with the exact diagonalization of the Anderson impurity model is applied to PuO. We o…
One-dimensional magnetism in one-dimensional metallic chains in bulk MnB4
S. Khmelevskyi, J. Redinger, A. B. Shick +1
We have investigated from first-principles an electronic structure and magnetism in MnB4 compound with experimentally observed orthorhombic C12/m1 structure. It is found that Mn te…