Ab initio studies on the interplay between spin-orbit interaction and coulomb correlation in Sr 2IrO 4 and Ba 2IrO 4

R. Arita*, J. Kune, A. V. Kozhevnikov, A. G. Eguiluz, M. Imada

*この研究の対応する著者

研究成果: Article査読

203 被引用数 (Scopus)

抄録

Ab initio analyses of A 2IrO 4 (A=Sr,Ba) are presented. Effective Hubbard-type models for Ir 5d t 2g manifolds downfolded from the global band structure are solved based on the dynamical mean-field theory. The results for A=Sr and Ba correctly reproduce paramagnetic metals undergoing continuous transitions to insulators below the Néel temperature T N. These compounds are classified not into Mott insulators but into Slater insulators. However, the insulating gap opens by a synergy of the Néel order and significant band renormalization, which is also manifested by a 2D bad metallic behavior in the paramagnetic phase near the quantum criticality.

本文言語English
論文番号086403
ジャーナルPhysical Review Letters
108
8
DOI
出版ステータスPublished - 2012 2 22
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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「Ab initio studies on the interplay between spin-orbit interaction and coulomb correlation in Sr <sub>2</sub>IrO <sub>4</sub> and Ba <sub>2</sub>IrO <sub>4</sub>」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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