Dresden 2011 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 20: Innovative Materials
HL 20.4: Vortrag
Montag, 14. März 2011, 15:15–15:30, POT 06
Rb4O6: strongly correlated 2 p shell system under pressure — •shahab naghavi, stanislav chadov, gerhard h. fecher, and claudia felser — institut für anorganische chemie und analytische chemie, Johannes gutenberg universtität mainz
the strongly correlated 2p open-shell of Rb4O6 exhibits a variety of interesting physical phenomena at high pressures. In this compound, there are two different kinds of anionic oxygen molecules in the solid simultaneously, hyperoxide and peroxide. By mean of the first-principle electronic structure calculation, we study the Rb4O6 system under pressure. Its peculiar feature is the strongly correlated p electrons of the hyperoxide molecules (O22−). Around 75 GPa a transition from an insulating antiferromagnetic phase to a half-metallic ferromagnetic phase takes place. At pressures higher than 75 GPa, all anionic oxygen molecules (peroxide and hyperoxide) carry magnetic moments. Finally, above 160 GPa a metallic phase appears, where all oxygen molecules show the same bond lengths without magnetic moment.