30 citations · 40 across the 5 of their papers we have counts for
5 papers
Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate
Agnieszka L. Kozub, Arno Schindlmayr, Uwe Gerstmann +1
Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility of lithium niobate (LiNbO$_3…
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,…
Screening of magnetic moment at Co impurity in Cu host
Agnieszka L. Kozub, Jindrich Kolorenc, Alexander B. Shick
Cobalt impurity located in the bulk copper is described making use of the multi-orbital Anderson impurity model that is parametrized to match the electronic structure from the loca…
Superconductivity in the Niobium-rich compound Nb5Se4
T. Klimczuk, K. Baroudi, J. W. Krizan +2
The niobium rich selenide compound Nb5Se4 was synthesized at ambient pressure by high-temperature solid-state reaction in a sealed Ta tube. Resistivity and heat capacity measuremen…
Theory of valence-band and core-level photoemission from plutonium dioxide
Jindrich Kolorenc, Agnieszka L. Kozub, Alexander B. Shick
The correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structu…