Krylov implementation of the hybridization expansion impurity solver and application to 5-orbital models

被引:40
作者
Laeuchli, Andreas M. [1 ]
Werner, Philipp [2 ]
机构
[1] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[2] ETH, CH-8093 Zurich, Switzerland
关键词
electronic structure; high-temperature superconductors; impurity states; Monte Carlo methods; MONTE-CARLO; SYSTEMS; MATRIX;
D O I
10.1103/PhysRevB.80.235117
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present an implementation of the hybridization expansion impurity solver which employs sparse-matrix exact-diagonalization techniques to compute the time evolution of the local Hamiltonian. This method avoids computationally expensive matrix-matrix multiplications and becomes advantageous over the conventional implementation for models with five or more orbitals. In particular, this method will allow the systematic investigation of 7-orbital systems (lanthanide and actinide compounds) within single-site dynamical mean-field theory. We illustrate the power and usefulness of our approach with dynamical mean-field results for a 5-orbital model which captures some aspects of the physics of the iron-based superconductors.
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页数:8
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共 27 条
[1]   The ALPS project release 1.3:: Open-source software for strongly correlated systems [J].
Albuquerque, A. F. ;
Alet, F. ;
Corboz, P. ;
Dayal, P. ;
Feiguin, A. ;
Fuchs, S. ;
Gamper, L. ;
Gull, E. ;
Guertler, S. ;
Honecker, A. ;
Igarashi, R. ;
Koerner, M. ;
Kozhevnikov, A. ;
Laeuchli, A. ;
Manmana, S. R. ;
Matsumoto, M. ;
McCulloch, I. P. ;
Michel, F. ;
Noack, R. M. ;
Pawlowski, G. ;
Pollet, L. ;
Pruschke, T. ;
Schollwoeck, U. ;
Todo, S. ;
Trebst, S. ;
Troyer, M. ;
Werner, P. ;
Wessel, S. .
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2007, 310 (02) :1187-1193
[2]   Normal-state correlated electronic structure of iron pnictides from first principles [J].
Craco, L. ;
Laad, M. S. ;
Leoni, S. ;
Rosner, H. .
PHYSICAL REVIEW B, 2008, 78 (13)
[3]   Genesis of Coexisting Itinerant and Localized Electrons in Iron Pnictides [J].
de' Medici, Luca ;
Hassan, Syed R. ;
Capone, Massimo .
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2009, 22 (06) :535-538
[4]   Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions [J].
Georges, A ;
Kotliar, G ;
Krauth, W ;
Rozenberg, MJ .
REVIEWS OF MODERN PHYSICS, 1996, 68 (01) :13-125
[5]   Continuous-time auxiliary-field Monte Carlo for quantum impurity models [J].
Gull, E. ;
Werner, P. ;
Parcollet, O. ;
Troyer, M. .
EPL, 2008, 82 (05)
[6]   Local order and the gapped phase of the Hubbard model: A plaquette dynamical mean-field investigation [J].
Gull, E. ;
Werner, P. ;
Wang, X. ;
Troyer, M. ;
Millis, A. J. .
EPL, 2008, 84 (03)
[7]   Coherence-incoherence crossover in the normal state of iron oxypnictides and importance of Hund's rule coupling [J].
Haule, K. ;
Kotliar, G. .
NEW JOURNAL OF PHYSICS, 2009, 11
[8]   Strongly correlated superconductivity: A plaquette dynamical mean-field theory study [J].
Haule, Kristjan ;
Kotliar, Gabriel .
PHYSICAL REVIEW B, 2007, 76 (10)
[9]   Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base [J].
Haule, Kristjan .
PHYSICAL REVIEW B, 2007, 75 (15)
[10]   Nonlocal dynamical correlations of strongly interacting electron systems [J].
Hettler, MH ;
Tahvildar-Zadeh, AN ;
Jarrell, M ;
Pruschke, T ;
Krishnamurthy, HR .
PHYSICAL REVIEW B, 1998, 58 (12) :R7475-R7479