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 language | English |
|---|---|
| Article number | 035102 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 85 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 2012 Jan 4 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
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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 journal › Article
}
TY - JOUR
T1 - Cluster-size dependence in cellular dynamical mean-field theory
AU - Sakai, Shiro
AU - Sangiovanni, Giorgio
AU - Civelli, Marcello
AU - Motome, Yukitoshi
AU - Held, Karsten
AU - Imada, Masatoshi
PY - 2012/1/4
Y1 - 2012/1/4
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.85.035102
DO - 10.1103/PhysRevB.85.035102
M3 - Article
AN - SCOPUS:84856474332
VL - 85
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 3
M1 - 035102
ER -