121 citations · 235 across the 37 of their papers we have counts for
37 papers
Specific heat and orbital moment of CoO from first-principles atomistic calculations
R. J. Radwanski, Z. Ropka
We have for the first time calculated low-energy electronic structure both in paramagnetic and magnetic state as well as zero-temperature properties and thermodynamics. We consiste…
Magnetic properties and the electronic structure of LiCoO_2
R. J. Radwanski, Z. Ropka
We have described properties of LiCoO_2 within the Quantum Atomistic Solid State (QUASST) theory taking into account very strong electron correlations, predominantly of the intra-a…
NiO - from first principles
R. J. Radwanski, Z. Ropka
We have calculated from first-principles the octupolar interactions of the Ni2+ ion in NiO, which gives the theoretical basis for the ionic description of properties of NiO with fu…
The Jahn-Teller theorem for 3d ions and their compounds
R. J. Radwanski, Z. Ropka
In contrary to customarily consideration of the Jahn-Teller theorem for 3d-ion compounds in the orbital space only we point out that it has to be considered in the spin-orbital spa…
Comment on a Phys. Rev. Lett. paper: the origin of the excited state in LaCoO3
R. J. Radwanski, Z. Ropka
In contrary to a claim of the recent Phys. Rev. Lett. 96 (2006) 027201 paper we maintain that the first excited state in LaCoO3 is the high-spin (HS) state (a lowest quasi-triplet…
LaCoO3 - from first principles
R. J. Radwanski, Z. Ropka
We have performed calculations of the electronic structure of LaCoO3 from first principles, assuming the atomistic construction of matter and the electrostatic origin of the crysta…