Electronic structure of strongly correlated systems emerging from combining path-integral renormalization group with the density-functional approach

Yoshiki Imai, Igor Solovyev, Masatoshi Imada

研究成果: Article査読

61 被引用数 (Scopus)

抄録

A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is constructed by a downfolding procedure using combinations of the constrained-LDA and the GW method. The obtained low-energy Hamiltonian is solved by the path-integral renormalization-group method, where spatial and dynamical fluctuations are fully considered. An application to Sr2VO4 shows that the scheme is powerful in agreement with experimental results. It further predicts a nontrivial orbital-stripe order.

本文言語English
論文番号176405
ジャーナルPhysical Review Letters
95
17
DOI
出版ステータスPublished - 2005 10 21
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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