Signatures of Delocalization in the Fermionic 1D Hubbard Model with Box Disorder: Comparative Study with DMRG and R-DMFT

Wernsdorfer, Julia; Harder, Georg; Schollwoeck, Ulrich; Hofstetter, Walter

doi:10.48550/arxiv.1108.6057

Cited by 6 publications

(10 citation statements)

References 54 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Such non-monotonic (dynamical) behavior is consistent with results from ground-state studies (see e.g. 104 ), and its dependence on quantities such as the density n or the disorder strength W is plausible. To have a more complete picture of this tendency, calculations for larger U values should be performed; however, as mentioned earlier, for those U values, the utility of an ALDA-TDDFT approach would be significantly diminished.…”

Section: Time-dependent Inverse Participation Ratiosupporting

confidence: 87%

“…This has been noted before for finite samples (e.g. in terms of exact diagonalization 105 or DMRG calculations 104 ). When W and U become both very large, calculations as in 104,105 suggest that localization prevails.…”

Section: (Td) Dft Results For Short Chains Attached To Leads: Static ...supporting

confidence: 67%

“…As a final, but important remark, we observe that our results for the current lack of "reciprocity", i.e. for a fixed U , and the W :s considered, the current is monotonically decreasing as a function of W , while a competing behavior could be expected from studies in the ground state 104 . This can possibly be due to a limitation of the ALDA (and not of TDDFT, which is in principle an exact theory).…”

Section: Time-dependent Inverse Participation Ratiomentioning

confidence: 58%

“…Recently, a non-perturbative study of finite Anderson-Hubbard chains has been performed in terms of Density Matrix Renormalization Group and a real-space version of Dynamical Mean Field Theory 104 . Using different indicators of delocalization, such as the geometrically averaged LDOS and the IPR, the main outcome of such non-perturbative calculations was a clear indication of a tendency to delocalization in a range of U, W values in the ground state of these chains.…”

Section: Resultsmentioning

confidence: 99%

“…in terms of exact diagonalization 105 or DMRG calculations 104 ). When W and U become both very large, calculations as in 104,105 suggest that localization prevails. From our results, this should happen a U values larger than those in the table (e.g.…”

Section: (Td) Dft Results For Short Chains Attached To Leads: Static ...mentioning

confidence: 99%

See 4 more Smart Citations

Interacting fermions in one-dimensional disordered lattices: Exploring localization and transport properties with lattice density-functional theories

et al. 2013

View full text Add to dashboard Cite

We investigate the static and dynamical behavior of one-dimensional interacting fermions in disordered Hubbard chains contacted to semi-infinite leads. The chains are described via the repulsive Anderson-Hubbard Hamiltonian, using static and time-dependent lattice density-functional theory. The dynamical behavior of our quantum transport system is studied using an integration scheme available in the literature, which we modify via the recursive Lanczos method to increase its efficiency. To quantify the degree of localization due to disorder and interactions, we adapt the definition of the inverse participation ratio to obtain an indicator which is suitable for quantum transport geometries and can be obtained within density-functional theory. Lattice density-functional theories are reviewed and, for contacted chains, we analyze the merits and limits of the coherent-potential approximation in describing the spectral properties, with interactions included via lattice density-functional theory. Our approach appears to be able to capture complex features due to the competition between disorder and interactions. Specifically, we find a dynamical enhancement of delocalization in the presence of a finite bias and an increase of the steady-state current induced by interparticle interactions. This behavior is corroborated by results for the time-dependent densities and for the inverse participation ratio. Using short isolated chains with interaction and disorder, a brief comparative analysis between time-dependent density-functional theory and exact results is then given, followed by general concluding remarks.

show abstract

Section: Time-dependent Inverse Participation Ratiosupporting

confidence: 87%

Section: (Td) Dft Results For Short Chains Attached To Leads: Static ...supporting

confidence: 67%

Section: Time-dependent Inverse Participation Ratiomentioning

confidence: 58%

Section: Resultsmentioning

confidence: 99%

Section: (Td) Dft Results For Short Chains Attached To Leads: Static ...mentioning

confidence: 99%

See 3 more Smart Citations

Interacting fermions in one-dimensional disordered lattices: Exploring localization and transport properties with lattice density-functional theories

et al. 2013

View full text Add to dashboard Cite

show abstract

A DFT+nonhomogeneous DMFT approach for finite systems

Kabir¹,

Turkowski²,

Rahman³

2015

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

For reliable and efficient inclusion of electron-electron correlation effects in nanosystems we propose a combined density-functional-theory/nonhomogeneous dynamical-mean-field-theory (DFT + DMFT) approach which employs an approximate Iterative Perturbative Theory (IPT) impurity solver. The validity of the method is demonstrated by successful examination of the size-dependent magnetic properties of iron nanoparticles containing 11-100 atoms. We show that the DFT+ DMFT solution is in very good agreement with experimental data, in particular it does not lead to the overestimation of magnetization that is found with the DFT and DFT+U techniques. More importantly, we demonstrate that DFT+DMFT approach can be used for accurate and realistic description of nanosystems containing about hundred atoms.

show abstract

Nonadiabatic exchange-correlation kernel for strongly correlated materials

Turkowski

Rahman

2017

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

ABSTRACT. We formulate a rigorous method for calculating a nonadiabatic (frequencydependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within Time-Dependent Density Functional Theory (TDDFT). To do so we use the expression for charge susceptibility provided by Dynamical Mean Field Theory (DMFT) for the effective multi-orbital Hubbard Model. We tested our formalism by applying it to the one-band Hubbard model: our nonadiabatic kernel leads to a significant modification of the excitation spectrum, shifting the peak that appears in adiabatic (simplified) solutions and disclosing a new one, in agreement with the DMFT solution. We also used our method to track the nonequilibrium charge-density response of a multi-orbital perovskite Mott insulator, YTiO 3 , to a perturbation by a femtosecond (fs) laser pulse. The results were quite different from those provided by the corresponding adiabatic formalism. These initial investigations indicate that electron-electron correlations and nonadiabatic features can significantly affect the spectrum and nonequilibrium properties of strongly correlated systems. Introduction.--Correct description of the physical, including nonequilibrium, properties of strongly correlated electron systems is one of the most important goals of the condensed matter and material science communities. These systems demonstrate unusual properties with many potential applications both in bulk (high-temperature superconductivity, exotic interplay of magnetism and superconductivity, giant magneto-resistance, etc.) (see, for example Ref.[1]) and in the nanocase (for example, antiferromagnetism in small Fe chains, 2 exotic charge carrier generation in the insulating phase of a VO 2 nanosystem, 3 and anomalous lattice expansion 4,5 and room temperature ferromagnetism 6 in CeO 2 nanostructures). From the perspective of technological applications, nanostructures look even more promising than bulk, since they afford additional channels for tuning a system's properties by varying its size and geometry and by putting it on different substrates. Description of experimentally observed properties as well as prediction of new strongly correlated systems with desired properties requires reliable theoretical and computational tools.

show abstract

Signatures of Delocalization in the Fermionic 1D Hubbard Model with Box Disorder: Comparative Study with DMRG and R-DMFT

Cited by 6 publications

References 54 publications

Interacting fermions in one-dimensional disordered lattices: Exploring localization and transport properties with lattice density-functional theories

Interacting fermions in one-dimensional disordered lattices: Exploring localization and transport properties with lattice density-functional theories

A DFT+nonhomogeneous DMFT approach for finite systems

Nonadiabatic exchange-correlation kernel for strongly correlated materials

Contact Info

Product

Resources

About