Microscopic study of a spin-orbit-induced Mott insulator in Ir oxides

Hiroshi Watanabe, Tomonori Shirakawa, Seiji Yunoki

研究成果: Article

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Motivated by recent experiments of a novel 5d Mott insulator in Sr 2IrO4, we have studied the two-dimensional three-orbital Hubbard model with a spin-orbit coupling λ. The variational Monte Carlo method is used to obtain the ground state phase diagram with varying an on-site Coulomb interaction U as well as λ. It is found that the transition from a paramagnetic metal to an antiferromagnetic insulator occurs at a finite U=UMI, which is greatly reduced by a large λ, characteristic of 5d electrons, and leads to the "spin-orbit-induced" Mott insulator. It is also found that the Hund's coupling induces the anisotropic spin exchange and stabilizes the in-plane antiferromagnetic order. We have further studied the one-particle excitations by using the variational cluster approximation and revealed the internal electronic structure of this novel Mott insulator. These findings are in agreement with experimental observations on Sr 2IrO4.

元の言語English
記事番号216410
ジャーナルPhysical Review Letters
105
発行部数21
DOI
出版物ステータスPublished - 2010 11 19
外部発表Yes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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