Quantum Monte Carlo method for models of molecular nanodevices
We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson model coupled to a Holstein phonon as a schematic model for...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_10980121_v72_n4_p_Arrachea |
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todo:paper_10980121_v72_n4_p_Arrachea2023-10-03T16:05:57Z Quantum Monte Carlo method for models of molecular nanodevices Arrachea, L. Rozenberg, M.J. We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson model coupled to a Holstein phonon as a schematic model for a molecular transistor. We compute the density of states at the impurity in a large range of parameters, to demonstrate the accuracy and efficiency of the method. We also obtain the conductance of the impurity model and analyze different regimes. The results show that even in the case when the effective attractive phonon interaction is larger than the Coulomb repulsion, a Kondo-like conductance behavior might be observed. © 2005 The American Physical Society. Fil:Rozenberg, M.J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10980121_v72_n4_p_Arrachea |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson model coupled to a Holstein phonon as a schematic model for a molecular transistor. We compute the density of states at the impurity in a large range of parameters, to demonstrate the accuracy and efficiency of the method. We also obtain the conductance of the impurity model and analyze different regimes. The results show that even in the case when the effective attractive phonon interaction is larger than the Coulomb repulsion, a Kondo-like conductance behavior might be observed. © 2005 The American Physical Society. |
| format |
JOUR |
| author |
Arrachea, L. Rozenberg, M.J. |
| spellingShingle |
Arrachea, L. Rozenberg, M.J. Quantum Monte Carlo method for models of molecular nanodevices |
| author_facet |
Arrachea, L. Rozenberg, M.J. |
| author_sort |
Arrachea, L. |
| title |
Quantum Monte Carlo method for models of molecular nanodevices |
| title_short |
Quantum Monte Carlo method for models of molecular nanodevices |
| title_full |
Quantum Monte Carlo method for models of molecular nanodevices |
| title_fullStr |
Quantum Monte Carlo method for models of molecular nanodevices |
| title_full_unstemmed |
Quantum Monte Carlo method for models of molecular nanodevices |
| title_sort |
quantum monte carlo method for models of molecular nanodevices |
| url |
http://hdl.handle.net/20.500.12110/paper_10980121_v72_n4_p_Arrachea |
| work_keys_str_mv |
AT arracheal quantummontecarlomethodformodelsofmolecularnanodevices AT rozenbergmj quantummontecarlomethodformodelsofmolecularnanodevices |
| _version_ |
1782028199245381632 |