TY - JOUR
T1 - Real-space renormalized dynamical mean field theory
AU - Kubota, Dai
AU - Sakai, Shiro
AU - Imada, Masatoshi
N1 - Funding Information:
D.K. was financially supported by Japan Society for the Promotion of Science through Program for Leading Graduate Schools (ALPS). S.S. was supported by JSPS KAKENHI Grant No. 26800179. This work was supported by the Computational Materials Science Initiative (CMSI), and RIKEN Advanced Institute for Computational Science through the HPCI System Research project (Projects No. hp140215 and No. hp150211).
Publisher Copyright:
© 2016 American Physical Society.
PY - 2016/5/12
Y1 - 2016/5/12
N2 - We propose real-space renormalized dynamical mean field theory (rr-DMFT) to deal with large clusters in the framework of a cluster extension of the DMFT. In the rr-DMFT, large clusters are decomposed into multiple smaller clusters through a real-space renormalization. In this work, the renormalization effect is taken into account only at the lowest order with respect to the intercluster coupling, which nonetheless reproduces exactly both the noninteracting and atomic limits. Our method allows us large cluster-size calculations which are intractable with the conventional cluster extensions of the DMFT with impurity solvers, such as the continuous-time quantum Monte Carlo and exact diagonalization methods. We benchmark the rr-DMFT for the two-dimensional Hubbard model on a square lattice at and away from half filling, where the spatial correlations play important roles. Our results on the spin structure factor indicate that the growth of the antiferromagnetic spin correlation is taken into account beyond the decomposed cluster size. We also show that the self-energy obtained from the large-cluster solver is reproduced by our method better than the solution obtained directly for the smaller cluster. When applied to the Mott metal-insulator transition, the rr-DMFT is able to reproduce the reduced critical value for the Coulomb interaction comparable to the large cluster result.
AB - We propose real-space renormalized dynamical mean field theory (rr-DMFT) to deal with large clusters in the framework of a cluster extension of the DMFT. In the rr-DMFT, large clusters are decomposed into multiple smaller clusters through a real-space renormalization. In this work, the renormalization effect is taken into account only at the lowest order with respect to the intercluster coupling, which nonetheless reproduces exactly both the noninteracting and atomic limits. Our method allows us large cluster-size calculations which are intractable with the conventional cluster extensions of the DMFT with impurity solvers, such as the continuous-time quantum Monte Carlo and exact diagonalization methods. We benchmark the rr-DMFT for the two-dimensional Hubbard model on a square lattice at and away from half filling, where the spatial correlations play important roles. Our results on the spin structure factor indicate that the growth of the antiferromagnetic spin correlation is taken into account beyond the decomposed cluster size. We also show that the self-energy obtained from the large-cluster solver is reproduced by our method better than the solution obtained directly for the smaller cluster. When applied to the Mott metal-insulator transition, the rr-DMFT is able to reproduce the reduced critical value for the Coulomb interaction comparable to the large cluster result.
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U2 - 10.1103/PhysRevB.93.205119
DO - 10.1103/PhysRevB.93.205119
M3 - Article
AN - SCOPUS:84968813521
SN - 2469-9950
VL - 93
JO - Physical Review B
JF - Physical Review B
IS - 20
M1 - 205119
ER -