Ab initio low-dimensional physics opened up by dimensional downfolding: Application to LaFeAsO

Kazuma Nakamura, Yoshihide Yoshimoto, Yoshiro Nohara, Masatoshi Imada

研究成果: Article

17 引用 (Scopus)

抜粋

An ab initio downfolding method is formulated to construct low-dimensional models for correlated electrons. In addition to band downfolding by a constrained random phase approximation formulated for 3D models, screening away from the target layer (chain) is further involved. Eliminating the off-target degrees of freedom, namely, dimensional downfolding, yields ab initio low-dimensional models. The method is applied to derive a 2D model for the layered superconductor LaFeAsO, where interlayer screening crucially makes the effective interaction short-ranged and reduces the onsite Coulomb interactions by 10-20% compared with the 3D model for the five iron-3d orbitals.

元の言語English
記事番号123708
ジャーナルjournal of the physical society of japan
79
発行部数12
DOI
出版物ステータスPublished - 2010 12 1
外部発表Yes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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