60 citations · 324 across the 35 of their papers we have counts for
7 papers · 1 filter
Crystal structure, lattice dynamics and superexchange in MAgF3 1D antiferromagnets (M = K, Rb, Cs) and Rb3Ag2F7 Ruddlesden-Popper phase
Kacper Koteras, Jakub Gawraczynski, Gasper Tavcar +2
With the use of lattice dynamics calculation within hybrid HSE06 framework we were able to understand vibrational spectra of MAgF3 M = K, Rb, Cs compounds. Comparative theoretical…
Observation of a new polyhalide phase in Ag-Cl system at high pressure
Adam Grzelak, Jakub Gawraczynnski, Mariana Derzsi +3
In this short contribution, we examine Raman spectroscopic data from high-pressure and high-temperature experiments with Ag-Cl system, and find that they are in good agreement…
Superexchange interactions in AgMF4 (M = Co, Ni, Cu) polymorphs
Mateusz A. Domański, Wojciech Grochala
Magnetic properties of silver(II) compounds have been of interest in recent years. In covalent compounds, the main mechanism of interaction between paramagnetic sites is the supere…
Stability of hypothetical AgIICl2 polymorphs under high pressure, revisited : a computational study
A. Grzelak, W. Grochala
A comparative computational study of stability of candidate structures for an as yet unknown silver dichloride AgCl2 is presented. It is found that all considered candidates have a…
Charge ordering mechanism in silver fluoride AgF
Mariana Derzsi, Kamil Tokár, Przemysław Piekarz +1
Using Density Functional Theory, competition between Mott-Hubbard and intervalence charge transfer mechanism of electron localization is revealed in AgF, an important silver an…
Charge Transfer and excitations in AgF
Nimrod Bachar, Kacper Koteras, Jakub Gawraczynski +11
Charge transfer (CT) insulators are the parent phase of a large group of today's unconventional high-temperature superconductors. Here we study experimentally and theoretically the…