27 citations · 51 across the 3 of their papers we have counts for
8 papers
Fluorides of silver under large compression
Dominik Kurzydłowski, Mariana Derzsi, Eva Zurek +1
The silver-fluorine phase diagram has been scrutinized as a function of external pressure using theoretical methods. Our results indicate that two novel stoichiometries containing…
Lattice dynamics of KAgF3 perovskite, unique 1D antiferromagnet
Kacper Koteras, Jakub Gawraczynski, Mariana Derzsi +2
Theoretical DFT calculations using GGA+U and HSE06 frameworks enabled vibrational mode assignment and partial (atomic) phonon DOS determination in KAgF3 perovskite, a low-dimension…
Defect trapping and phase separation in chemically doped bulk AgF2
Adam Grzelak, Mariana Derzsi, Wojciech Grochala
We report a computational survey of chemical doping of silver(II) fluoride, an oxocuprate analog. We find that the ground-state solutions exhibit strong tendency for localization o…
Computational study of antiferromagnetic and mixed-valent diamagnetic phase of AgF2: crystal, electronic and phonon structure and p-T phase diagram
Kamil Tokar, Mariana Derzsi, Wojciech Grochala
Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the…
Gigantic work function in layered AgF2
Wojciech Wegner, Kamil Tokár, Jose Lorenzana +2
AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc superconductors. It is al…
Epitaxial engineering of flat silver fluorides cuprate analogs
Adam Grzelak, Haibin Su, Xiaoping Yang +3
As-grown AgF2 has a remarkably similar electronic structure as insulating cuprates, but it is extremely electronegative, which makes it hard to handle and dope. Furthermore, buckli…