Na2IrO3 as a molecular orbital crystal

Contrary to previous studies that classify Na(2)IrO(3) as a realization of the Heisenberg-Kitaev model with a dominant spin-orbit coupling, we show that this system represents a highly unusual case in which the electronic structure is dominated by the formation of quasimolecular orbitals (QMOs), wit...

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Veröffentlicht in:	Physical review letters 2012-11, Vol.109 (19), p.197201-197201
Hauptverfasser:	Mazin, I I, Jeschke, Harald O, Foyevtsova, Kateryna, Valentí, Roser, Khomskii, D I
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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