Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userCellular Dynamical Mean Field Approach to Strongly Correlated Systems
80
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
We propose a cellular version of dynamical-mean field theory which gives a natural generalization of its original single-site construction and is formulated in different sets of variables. We show how non-orthogonality of the tight-binding basis sets enters the problem and prove that the resulting equations lead to manifestly causal self energies.
rate research
Read More
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory techniques. DMFT is by construction a local theory which neglects spatial correlation. Experiments have however shown that the latter is a fundamental property of cuprate materials. In a first step, we approach the problem of spatial correlation in the normal state of cuprate materials using a phenomenological Fermi-Liquid-Boltzmann model. We then introduce and develop in detail an extension to DMFT, the Cellular Dynamical Mean Field Theory (CDMFT), capable of considering short-ranged spatial correlation in a system, and we implement it using the exact diagonalization algorithm . After benchmarking CDMFT with the exact one-dimensional solution of the Hubbard Model, we employ it to study the density-driven Mott metal-insulator transition in the two-dimensional Hubbard Model, focusing in particular on the anomalous properties of the doped normal state close to the Mott insulator. We finally study the superconducting state. We show that within CDMFT the one-band Hubbard Model supports a d-wave superconductive state, which strongly departs from the standard BCS theory. We conjecture a link between the instabilities found in the normal state and the onset of superconductivity.
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions as an interface between the two theories. These functions are used for the physical purpose of identifying the correlated orbitals in a specific material, and also for the more technical purpose of interfacing DMFT with different kinds of band-structure methods (with three different techniques being used in the present work). We explore and compare two distinct Wannier schemes, namely the maximally-localized-Wannier-function (MLWF) and the $N$-th order muffin-tin-orbital (NMTO) methods. Two correlated materials with different degrees of structural and electronic complexity, SrVO3 and BaVS3, are investigated as case studies. SrVO3 belongs to the canonical class of correlated transition-metal oxides, and is chosen here as a test case in view of its simple structure and physical properties. In contrast, the sulfide BaVS3 is known for its rich and complex physics, associated with strong correlation effects and low-dimensional characteristics. New insights into the physics associated with the metal-insulator transition of this compound are provided, particularly regarding correlation-induced modifications of its Fermi surface. Additionally, the necessary formalism for implementing self-consistency over the electronic charge density in a Wannier basis is discussed.
Numerical simulations of strongly correlated electron systems suffer from the notorious fermion sign problem which has prevented progress in understanding if systems like the Hubbard model display high-temperature superconductivity. Here we show how the fermion sign problem can be solved completely with meron-cluster methods in a large class of models of strongly correlated electron systems, some of which are in the extended Hubbard model family and show s-wave superconductivity. In these models we also find that on-site repulsion can even coexist with a weak chemical potential without introducing sign problems. We argue that since these models can be simulated efficiently using cluster algorithms they are ideal for studying many of the interesting phenomena in strongly correlated electron systems.
We present the results of numerical studies of superconductivity and antiferromagnetism in a strongly correlated electron system. To do this we construct a Hubbard model on a lattice of self-consistently embedded multi-site clusters by means of a dynamical mean-field theory in which intra-cluster dynamics is treated essentially exactly. We show that a class of characteristic features which have been seen in the excitation spectra of high-$T_{c}$ cuprates (e.g., pseudogap and the spin-flip resonance), as well as their interplay with the onset of a pairing correlations, can be captured within a dynamical mean-field theory in which short-wavelength dynamics are rigorously treated. Thus we infer that the observation of the neutron scattering resonance in the superconducting state of the cuprate superconductors does not appear to be directly tied to their quasi-2D character. Although our approach is defined strictly in terms of fermion degrees of freedom, we show that we can readily identify the emergence of effective low energy bosonic degrees of freedom in the presence of a well-defined broken symmetry phase as long as their dynamics are dominated by short-range, short-wavelength fluctuations. Our results reveal that the dynamics of staggered spin degrees of freedom builds up coherence and a resonance-like sharp feature emerges as pairing correlations set in. Under conditions of superconducting broken symmetry our approach thus extends static BCS mean field theory to provide an exact treatment of quantum fluctuations of the BCS order parameter.
To reduce the rapidly growing computational cost of the dual fermion lattice calculation with increasing system size, we introduce two embedding schemes. One is the real fermion embedding, and the other is the dual fermion embedding. Our numerical tests show that the real fermion and dual fermion embedding approaches converge to essentially the same result. The application on the Anderson disorder and Hubbard models shows that these embedding algorithms converge more quickly with system size as compared to the conventional dual fermion method, for the calculation of both single-particle and two-particle quantities.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
