4 papers
Ab initio modeling of resonant inelastic x-ray scattering from Ca2RuO4
D. A. Kukusta, L. V. Bekenov, P. F. Perndorfer +4
The single-layered perovskite CaRuO, characterized by a 4 electron configuration, has been studied from first principles using density functional theory (DFT) using th…
Density functional theory of resonant inelastic x-ray scattering in the quasi-one-dimensional dimer iridate BaAlIrO
D. A. Kukusta, L. V. Bekenov, V. N. Antonov
We have investigated the electronic structure of BaAlIrO within the density functional theory using the generalized gradient approximation while considering strong C…
Electronic structure and x-ray magnetic circular dichroism in the quadruple perovskite CaCu3Re2Fe2O12
L. V. Bekenov, D. V. Mazur, B. F. Zhuravlev +3
We have studied the electronic and magnetic properties of the A- and B-site-ordered perovskite CaCu3Re2Fe2O12 within the density-functional theory using the generalized gradient ap…
Density functional theory of resonant inelastic x-ray scattering in the quasi-one-dimensional dimer iridate Ba3InIr2O9
D. A. Kukusta, L. V. Bekenov, V. N. Antonov
We have investigated the electronic structure of Ba3InIr2O9 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb…