Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques
| Autor: | Christopher B. Bishop, Gonzalo Alvarez, Steven Johnston, Guangkun Liu, Shaozhi Li, Yan Wang, Adriana Moreo, Elbio Dagotto, Nitin Kaushal |
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| Rok vydání: | 2016 |
| Předmět: |
Physics
Strongly Correlated Electrons (cond-mat.str-el) Hubbard model Component (thermodynamics) Quantum Monte Carlo Density matrix renormalization group FOS: Physical sciences 02 engineering and technology Fermion 021001 nanoscience & nanotechnology 01 natural sciences Condensed Matter - Strongly Correlated Electrons Quantum mechanics 0103 physical sciences Ising model Statistical physics 010306 general physics 0210 nano-technology Phase diagram Spin-½ |
| Zdroj: | Physical Review E. 93 |
| ISSN: | 2470-0053 2470-0045 |
| DOI: | 10.1103/physreve.93.063313 |
| Popis: | A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rinc\'on {\em et al.}, Phys. Rev. Lett. \textbf{112}, 106405 (2014)]. In this publication we show that the Constrained-Path Quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. We also study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional Density Matrix Renormalization Group and Determinant Quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild Fermion sign problems. We conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean field approximations. Comment: 13 pages, 14 figures |
| Databáze: | OpenAIRE |
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