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Dostęp zamkniętyStructural Phase Transitions and Magnetic Superexchange in M <sup>I</sup> Ag <sup>II</sup> F <sub>3</sub> Perovskites at High Pressure**
| cris.lastimport.scopus | 2024-02-12T20:40:06Z |
| dc.abstract.en | Pressure-induced phase transitions of MIAgIIF3 perovskites (M=K, Rb, Cs) have been predicted theoretically for the first time for pressures up to 100 GPa. The sequence of phase transitions for M=K and Rb consists of a transition from orthorhombic to monoclinic and back to orthorhombic, associated with progressive bending of infinite chains of corner-sharing [AgF6]4− octahedra and their mutual approach through secondary Ag⋅⋅⋅F contacts. In stark contrast, only a single phase transition (tetragonal→triclinic) is predicted for CsAgF3; this is associated with substantial deformation of the Jahn–Teller-distorted first coordination sphere of AgII and association of the infinite [AgF6]4− chains into a polymeric sublattice. The phase transitions markedly decrease the coupling strength of intra-chain antiferromagnetic superexchange in MAgF3 hosts lattices. |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Grochala, Wojciech |
| dc.contributor.author | Kögerler, Paul |
| dc.contributor.author | Leusen, Jan |
| dc.contributor.author | Metzelaars, Marvin |
| dc.contributor.author | Wolański, Łukasz |
| dc.date.accessioned | 2024-01-26T08:21:38Z |
| dc.date.available | 2024-01-26T08:21:38Z |
| dc.date.issued | 2022 |
| dc.description.finance | Publikacja bezkosztowa |
| dc.description.number | 30 |
| dc.description.volume | 28 |
| dc.identifier.doi | 10.1002/CHEM.202200712 |
| dc.identifier.issn | 0947-6539 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/120899 |
| dc.identifier.weblink | https://onlinelibrary.wiley.com/doi/pdf/10.1002/chem.202200712 |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Chemistry - A European Journal |
| dc.rights | ClosedAccess |
| dc.sciencecloud | nosend |
| dc.title | Structural Phase Transitions and Magnetic Superexchange in M <sup>I</sup> Ag <sup>II</sup> F <sub>3</sub> Perovskites at High Pressure** |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |