Journal
PHYSICAL REVIEW B
Volume 85, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.035102
Keywords
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Funding
- MEXT, Japan [22340090]
- MEXT
- Computational Materials Science Initiative (CMSI), Japan
- Japan Society for the Promotion of Science
- Austrian Science Fund (FWF) [SFB ViCoM F4103-N13]
- FWF [M1136]
- Austrian Science Fund (FWF) [M1136] Funding Source: Austrian Science Fund (FWF)
- Grants-in-Aid for Scientific Research [22340090, 22104010, 10J09068] Funding Source: KAKEN
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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 (pi/2, pi/2) than around (pi, 0) and (pi, pi). 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.
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