Mott physics in $2p$ electron dioxygenyl magnet : O$_{2}$$M$F$_{6}$ ($M$=Sb, Pt)

Minjae Kim; B. I. Min

doi:10.1103/PhysRevB.84.073106

paper

Mott physics in $2 p$ electron dioxygenyl magnet : O $_{2}$ $M$ F $_{6}$ ( $M$ =Sb, Pt)

arXiv:1103.0129 · doi:10.1103/PhysRevB.84.073106

Abstract

We have investigated electronic structures and magnetic properties of O $_{2}$ $M$ F $_{6}$ ( $M$ =Sb, Pt), which are composed of two building blocks of strongly correlated electrons: O $_{2}^{+}$ dioxygenyls and $M$ F $_{6}^{-}$ octahedra, by employing the first-principles electronic structure band method. For O $_{2}$ SbF $_{6}$ , as a reference system of O $_{2}$ PtF $_{6}$ , we have shown that the Coulomb correlation of O(2 $p$ ) electrons drives the Mott insulating state. For O $_{2}$ PtF $_{6}$ , we have demonstrated that the Mott insulating state is induced by the combined effects of the Coulomb correlation of O(2 $p$ ) and Pt(5 $d$ ) electrons and the spin-orbit (SO) interaction of Pt(5 $d$ ) states. The role of the SO interaction in forming the Mott insulating state of O $_{2}$ PtF $_{6}$ is similar to the case of Sr $_{2}$ IrO $_{4}$ that is a prototype of a SO induced Mott system with J $_{e f f} = 1/2$ .

5 pages, 6 figures

Mott physics in $2 p$ electron dioxygenyl magnet : O $_{2}$ $M$ F $_{6}$ ( $M$ =Sb, Pt)

Abstract

References in corpus (10)

Cited by in corpus (2)

Mott physics in 2p electron dioxygenyl magnet : O2​MF6​ (M=Sb, Pt)

Abstract

References in corpus (10)

Cited by in corpus (2)

Mott physics in $2 p$ electron dioxygenyl magnet : O $_{2}$ $M$ F $_{6}$ ( $M$ =Sb, Pt)