Cluster-size dependence in cellular dynamical mean-field theory

Shiro Sakai, Giorgio Sangiovanni, Marcello Civelli, Yukitoshi Motome, Karsten Held, Masatoshi Imada

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

We examine the cluster-size dependence of the cellular dynamical mean-field theory (CDMFT) applied to the two-dimensional Hubbard model. Employing the continuous-time quantum Monte Carlo method as the solver for the effective cluster model, we obtain CDMFT solutions for 4-, 8-, 12-, and 16-site clusters at a low temperature. Comparing various periodization schemes, which are used to construct the infinite-lattice quantities from the cluster results, we find that the cumulant periodization yields the fastest convergence for the hole-doped Mott insulator where the most severe size dependence is expected. We also find that the convergence is much faster around (0,0) and (π2,π2) than around (π,0) and (π,π). The cumulant-periodized self-energy seems to be close to its thermodynamic limit already for a 16-site cluster in the range of parameters studied. The 4-site results remarkably agree well with the 16-site results, indicating that the previous studies based on the 4-site cluster capture the essence of the physics of doped Mott insulators.

Original languageEnglish
Article number035102
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume85
Issue number3
DOIs
Publication statusPublished - 2012 Jan 4
Externally publishedYes

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Mean field theory
Hubbard model
Monte Carlo methods
Physics
Thermodynamics
insulators
two dimensional models
Temperature
Monte Carlo method
thermodynamics
physics

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Cluster-size dependence in cellular dynamical mean-field theory. / Sakai, Shiro; Sangiovanni, Giorgio; Civelli, Marcello; Motome, Yukitoshi; Held, Karsten; Imada, Masatoshi.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 85, No. 3, 035102, 04.01.2012.

Research output: Contribution to journalArticle

Sakai, Shiro ; Sangiovanni, Giorgio ; Civelli, Marcello ; Motome, Yukitoshi ; Held, Karsten ; Imada, Masatoshi. / Cluster-size dependence in cellular dynamical mean-field theory. In: Physical Review B - Condensed Matter and Materials Physics. 2012 ; Vol. 85, No. 3.
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