Outline
DOI: 10.1039/d6cp03094g ISSN: 1463-9076
First-principles analysis of magnetic superexchange in cubic fluoro- and oxo-perovskites
Inés Sánchez-Movellán, Richard Dronskowski, Ángel Martín Pendás, Pablo García-Fernández, Miguel Moreno, José Antonio AramburuAntiferromagnetic order in fluoride and oxide perovskites is stabilized by a small kinetic-energy gain from minority-spin delocalization into deep, ligand-dominated bonding orbitals, a mechanism absent from canonical superexchange models.
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