Origin of ferromagnetism in Cs$_2$AgF$_4$: importance of Ag - F covalency

Details Origin of ferromagnetism in Cs$_2$AgF$_4$: importance of Ag - F covalency Origin of ferromagnetism in Cs$_2$AgF$_4$: importance of Ag - F covalency

2006-04-06

arxiv.org/abs/cond-mat/0604167v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.73.214420

The magnetic nature of Cs$_{2}$AgF$_{4}$, an isoelectronic and isostructural analogue of La$_2$CuO$_4$, is analyzed using density functional calculations. The ground state is found to be ferromagnetic and nearly half metallic. We find strong hybridization of Ag-$d$ and F-$p$ states. Substantial moments reside on the F atoms, which is unusual for the halides and reflects the chemistry of the Ag(II) ions in this compound. This provides the mechanism for ferromagnetism, which we find to be itinerant in character, a result of a Stoner instability enhanced by Hund's coupling on the F.

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