Challenge of magnetism in strongly correlated open-shell 2p systems.
We report on theoretical investigations of the exotic magnetism in rubidium sesquioxide Rb4O6, a model correlated system with an open 2p shell. Experimental investigations indicated that Rb4O6 is a magnetically frustrated insulator. The frustration is explained here by electronic structure calculations that incorporate the correlation between the oxygen 2p electrons and deal with the mixed-valent oxygen. This leads to a physical picture where the symmetry is reduced because one third of the oxygen in Rb4O6 is nonmagnetic while the remaining two thirds assemble in antiferromagnetic arrangements. A degenerate, insulating ground state with a large number of frustrated noncollinear magnetic configurations is confidently deduced from the theoretical point of view. These findings demonstrate in general the importance of electron-electron correlations in open-shell p-electron systems.
Winterlik
Jürgen
J
Institut für Anorganische und Analytische Chemie, Johannes Gutenberg-Universität, D-55099 Mainz, Germany.
Fecher
Gerhard H
GH
Jenkins
Catherine A
CA
Felser
Claudia
C
Mühle
Claus
C
Doll
Klaus
K
Jansen
Martin
M
Sandratskii
Leonid M
LM
Kübler
Jürgen
J