Precise determination of phase diagram for two-dimensional Hubbard model with filling- and bandwidth-control Mott transitions: Grand-canonical path-integral renormalization group approach

Shinji Watanabe*, Masatoshi Imada

*この研究の対応する著者

研究成果: Article査読

29 被引用数 (Scopus)

抄録

A new numerical algorithm for interacting fermion systems to treat the grand-canonical ensemble is proposed and examined by extending the path-integral renormalization group method. To treat the grandcanonical ensemble, the particle-hole transformation is applied to the Hamiltonian and basis states. In the interaction-term projection, the Stratonovich-Hubbard transformation which hybridizes up and down spin electrons is introduced. By using this method, the phase diagram of the two-dimensional Hubbard model with next-nearest-neighbor transfer is accurately determined by treating the filling-control (FC) and bandwidth-control (BC) Mott transitions on the same ground. A V-shaped Mott insulating phase is obtained in the plane of the chemical potential and the Coulomb interaction, where the transitions at the corner (BC) and the edges (FC) show contrasted characters with large critical fluctuations near the edges coexisting with the first-order transition at the corner. This contrasted behavior is shown to be consistent with the V-shape structure of the phase boundary because of a general relation, in which the slope of the metal-insulator transition line in the phase diagram is expressed by thermodynamic quantities. The V-shaped opening of the Mott gap is favorably compared with the experimental results of the transition metal oxides.

本文言語English
ページ(範囲)1251-1266
ページ数16
ジャーナルjournal of the physical society of japan
73
5
DOI
出版ステータスPublished - 2004 5月
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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