Systematic quantum cluster typical medium method for the study of localization in strongly disordered electronic systems

Hanna Terletska, Yi Zhang, Ka Ming Tam, Tom Berlijn, Liviu Chioncel, N. S. Vidhyadhiraja, Mark Jarrell

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Abstract

Great progress has been made in recent years towards understanding the properties of disordered electronic systems. In part, this is made possible by recent advances in quantum effective medium methods which enable the study of disorder and electron-electronic interactions on equal footing. They include dynamical mean-field theory and the Coherent Potential Approximation, and their cluster extension, the dynamical cluster approximation. Despite their successes, these methods do not enable the first-principles study of the strongly disordered regime, including the effects of electronic localization. The main focus of this review is the recently developed typical medium dynamical cluster approximation for disordered electronic systems. This method has been constructed to capture disorder-induced localization and is based on a mapping of a lattice onto a quantum cluster embedded in an effective typical medium, which is determined self-consistently. Unlike the average effective medium-based methods mentioned above, typical medium-based methods properly capture the states localized by disorder. The typical medium dynamical cluster approximation not only provides the proper order parameter for Anderson localized states, but it can also incorporate the full complexity of Density-Functional Theory (DFT)-derived potentials into the analysis, including the effect of multiple bands, non-local disorder, and electron-electron interactions. After a brief historical review of other numerical methods for disordered systems, we discuss coarse-graining as a unifying principle for the development of translationally invariant quantum cluster methods. Together, the Coherent Potential Approximation, the Dynamical Mean-Field Theory and the Dynamical Cluster Approximation may be viewed as a single class of approximations with a much-needed small parameter of the inverse cluster size which may be used to control the approximation. We then present an overview of various recent applications of the typical medium dynamical cluster approximation to a variety of models and systems, including single and multiband Anderson model, and models with local and off-diagonal disorder. We then present the application of the method to realistic systems in the framework of the DFT and demonstrate that the resulting method can provide a systematic first-principles method validated by experiment and capable of making experimentally relevant predictions. We also discuss the application of the typical medium dynamical cluster approximation to systems with disorder and electron-electron interactions. Most significantly, we show that in the limits of strong disorder and weak interactions treated perturbatively, that the phenomena of 3D localization, including a mobility edge, remains intact. However, the metal-insulator transition is pushed to larger disorder values by the local interactions. We also study the limits of strong disorder and strong interactions capable of producing moment formation and screening, with a non-perturbative local approximation. Here, we find that the Anderson localization quantum phase transition is accompanied by a quantum-critical fan in the energy-disorder phase diagram.

Original languageEnglish
Article number2401
JournalApplied Sciences (Switzerland)
Volume8
Issue number12
DOIs
StatePublished - Nov 26 2018

Funding

Funding: This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NO. 2017R1A2B1011776). Acknowledgements: This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NO. 2017R1A2B1011776). This research (H.T., Y.Z., and M.J.) was funded by the National Science Foundation under the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents. M.J. gratefully acknowledges support from NSF Materials Theory grant DMR1728457 for the work involving quantum criticality in interacting systems, and the US DOE DE-SC0017861 for the work involving the first-principles study of strongly disordered energy materials. We thank Vladimir Dobrosavljevic, Dieter Vollhardt, Juana Moreno,Wei Ku, Vaclav Janis, Richard Scalletar for useful conversations. A portion of the work (T.B.) was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. L.C. acknowledges the financial support by the Deutsche Forschungsgesellschaft (DFG) through the Transregional Collaborative Research center TRR80/F6. We thank D. Vollhardt and J. Jarrell for careful read of the manuscript.

FundersFunder number
National Science Foundation1003897, 1728457
Ministry of Education2017R1A2B1011776
National Research Foundation of Korea
National Science FoundationEPS-1003897, DMR1728457

    Keywords

    • Anderson localization
    • Coarse-graining
    • Disordered electrons
    • First principles
    • Metal-insulator transition
    • Quantum cluster methods
    • Typical medium

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