Silver route to cuprate analogs

J Gawraczyński, D Kurzydłowski… - Proceedings of the …, 2019 - National Acad Sciences
The parent compound of high-T c superconducting cuprates is a unique Mott insulator
consisting of layers of spin-1 2 ions forming a square lattice and with a record high in-plane …

Fluorides of silver under large compression

D Kurzydłowski, M Derzsi, E Zurek… - … –A European Journal, 2021 - Wiley Online Library
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 Ag+ …

Ab initio Study of Ag-Based Fluoroperovskite AgMF3 (M = Co and Ni) Compounds

AA Mubarak - Journal of Electronic Materials, 2018 - Springer
Ab initio calculations of Ag-based fluoroperovskite AgMF 3 (M= Co and Ni) compounds are
investigated using the full-potential linearized augmented plane wave method. Wien2k and …

The role of the A monovalent cation in the AVF 3 perovskite series. A quantum mechanical investigation

F Pascale, NI Atallah, KE El-Kelany, K Doll… - Physical Chemistry …, 2023 - pubs.rsc.org
The relative stability of various phases of five AVF3 compounds (A= Li, Na, K, Rb and Cs) is
investigated starting from the cubic (C) Pmm (221) prototype structure, with five atoms (one …

The Jahn-Teller distortion at high pressure: The case of copper difluoride

D Kurzydłowski - Crystals, 2018 - mdpi.com
The opposing effects of high pressure (in the GPa range) and the Jahn-Teller distortion led
to many intriguing phenomena which are still not well understood. Here we report a …

Silverland: The realm of compounds of divalent silver—and why they are interesting

W Grochala - Journal of Superconductivity and Novel Magnetism, 2018 - Springer
In this personal account, the author takes readers on the journey to “Silverland,” ie, the
emerging field of electronic and magnetic materials based on divalent silver (Ag 2+). He …

Understanding the Structure and Ground State of the Prototype CuF2 Compound Not Due to the Jahn–Teller Effect

JA Aramburu, M Moreno - Inorganic Chemistry, 2019 - ACS Publications
Insulating CuF2 is considered a prototype compound displaying a Jahn–Teller effect (JTE)
which gives rise to elongated CuF64–units. By means of first-principles calculations together …

High-pressure phase transitions of zinc difluoride up to 55 GPa

D Kurzydłowski, A Oleksiak, SB Pillai… - Inorganic Chemistry, 2020 - ACS Publications
Studying the effect of high pressure (exceeding 10 kbar) on the structure of solids allows us
to gain deeper insight into the mechanism governing crystal structure stability. Here, we …

Local and Cooperative Jahn–Teller Effect and Resultant Magnetic Properties of M2AgF4 (M = Na–Cs) Phases

D Kurzydłowski, T Jaroń, A Ozarowski, S Hill… - Inorganic …, 2016 - ACS Publications
The crystal structure, magnetic properties, heat capacity, and Raman spectra of double-
perovskite M2AgF4 (M= K, K3/4Rb1/4, K1/2Rb1/2, K1/4Rb3/4, and Rb) phases have been …

Phase Transitions and Amorphization of M2AgF4 (M = Na, K, Rb) Compounds at High Pressure

J Gawraczyński, Ł Wolański, A Grzelak, Z Mazej… - Crystals, 2022 - mdpi.com
We report the results of high-pressure Raman spectroscopy studies of alkali metal
fluoroargentates (M2AgF4, where M= Na, K, Rb) combined with theoretical and X-ray …