Dramatic enhancement of spin–spin coupling and quenching of magnetic dimensionality in compressed silver difluoride. Issue 73 (24th July 2018)

• Record Type: Journal Article
• Authors: Kurzydłowski, Dominik; Derzsi, Mariana; Barone, Paolo; Grzelak, Adam; Struzhkin, Viktor; Lorenzana, José; Grochala, Wojciech
• Is Part Of: Chemical communications. Volume 54:Issue 73(2018)
• Page Start: 10252
• Page End: 10255
• Publication Date: 2018-07-24
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c8cc05002c
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : The high-pressure HP2 form of AgF2 features Ag2 F7 3− units that are theoretically predicted to host extremely strong antiferromagnetic interactions, surpassing those seen in copper(ii ) oxides. Abstract : Meta-GGA calculations of the ambient and high-pressure polymorphs of silver difluoride indicate that the compression-induced structural changes lead to a 3.5-fold increase in the strength of antiferromagnetic spin–spin interactions resulting in coupling constant values higher than those found for record-holding oxocuprates(ii ).