Microscopic study of electronic and magnetic properties for Ir oxide

Tomonori Shirakawa*, Hiroshi Watanabe, Seiji Yunoki

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


The exact diagonalization and the variational cluster approximation (VCA) are used to study the nature of a novel Mott insulator induced by a strong spin-orbit coupling for a two-dimensional three-band Hubbard model consisting of the t2g manifold of 5d orbitals. To characterize the ground state, we introduce a local Kramer's doublet which can represent a state with effective angular momentum J eff = |S - L| = 1/2 as well as spin S = 1/2. Our systematic study of the pseudo-spin structure factor defined by the Kramer's doublet shows that the J eff = 1/2 Mott insulator is smoothly connected to the S = 1/2 Mott insulator. Using the Kramer's doublet as a variational state for the VCA, we examine the one-particle excitations for the Mott insulating phase. These results are compared with recent experiments on Sr 2IrO 4.

Original languageEnglish
Article numberSB010
JournalJournal of the Physical Society of Japan
Issue numberSUPPL. B
Publication statusPublished - 2011 Dec
Externally publishedYes


  • 5d electrons
  • Mott insulator
  • Spin-orbit coupling
  • Three-band Hubbard model
  • Variational cluster approximation

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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