Gutzwiller Approximation in Strongly Correlated Electron Systems

Gutzwiller Approximation in Strongly Correlated Electron Systems
Author: Chunhua Li
Publisher:
Total Pages: 242
Release: 2009
Genre: Approximation theory
ISBN:

Gutzwiller wave function is an important theoretical technique for treating local electron-electron correlations nonperturbatively in condensed matter and materials physics. It is concerned with calculating variationally the ground state wave function by projecting out multi-occupation configurations that are energetically costly. The projection can be carried out analytically in the Gutzwiller approximation that offers an approximate way of calculating expectation values in the Gutzwiller projected wave function. This approach has proven to be very successful in strongly correlated systems such as the high temperature cuprate superconductors, the sodium cobaltates, and the heavy fermion compounds. In recent years, it has become increasingly evident that strongly correlated systems have a strong propensity towards forming inhomogeneous electronic states with spatially periodic superstrutural modulations. A good example is the commonly observed stripes and checkerboard states in high- Tc superconductors under a variety of conditions where superconductivity is weakened. There exists currently a real challenge and demand for new theoretical ideas and approaches that treats strongly correlated inhomogeneous electronic states, which is the subject matter of this thesis. This thesis contains four parts. In the first part of the thesis, the Gutzwiller approach is formulated in the grand canonical ensemble where, for the first time, a spatially (and spin) unrestricted Gutzwiller approximation (SUGA) is developed for studying inhomogeneous (both ordered and disordered) quantum electronic states in strongly correlated electron systems. The second part of the thesis applies the SUGA to the t-J model for doped Mott insulators which led to the discovery of checkerboard-like inhomogeneous electronic states competing with d -wave superconductivity, consistent with experimental observations made on several families of high-Tc superconductors. In the third part of the thesis, new concepts and techniques are developed to study the Mott transition in inhomogeneous electronic superstructures. The latter is termed "SuperMottness" which is shown to be a general framework that unifies the two paradigms in the physics of strong electronic correlation: Mott transition and Wigner crystallization. A cluster Gutzwiller approximation (CGA) approach is developed that treats the local (U) and extended Coulomb interactions (V) on equal footing. It is shown with explicit calculations that the Mott-Wigner metal-insulator transition can take place far away from half-filling. The mechanism by which a superlattice potential enhances the correlation effects and the tendency towards local moment formation is investigated and the results reveal a deeper connection among the strongly correlated inhomogeneous electronic states, the Wigner-Mott physics, and the multiorbital Mott physics that can all be united under the notion of SuperMottness. It is proposed that doping into a superMott insulator can lead to coexistence of local moment and itinerant carriers. The last part of the thesis studies the possible Kondo effect that couples the local moment and the itinerant carriers. In connection to the sodium rich phases of the cobaltates, a new Kondo lattice model is proposed where the itinerant carriers form a Stoner ferromagnet. The competition between the Kondo screening and the Stoner ferromagnetism is investigated when the conduction band is both at and away from half-filling.

Out-of-Equilibrium Physics of Correlated Electron Systems

Out-of-Equilibrium Physics of Correlated Electron Systems
Author: Roberta Citro
Publisher: Springer
Total Pages: 199
Release: 2018-07-26
Genre: Technology & Engineering
ISBN: 331994956X

This book is a wide-ranging survey of the physics of out-of-equilibrium systems of correlated electrons, ranging from the theoretical, to the numerical, computational and experimental aspects. It starts from basic approaches to non-equilibrium physics, such as the mean-field approach, then proceeds to more advanced methods, such as dynamical mean-field theory and master equation approaches. Lastly, it offers a comprehensive overview of the latest advances in experimental investigations of complex quantum materials by means of ultrafast spectroscopy.

The Gutzwiller Variational Method for Strongly Correlated Systems

The Gutzwiller Variational Method for Strongly Correlated Systems
Author: Mohammad Sherafati
Publisher:
Total Pages: 138
Release: 2013
Genre: Electron configuration
ISBN:

In this dissertation, we have presented our research on new developments in the Gutzwiller variational method as well as the applications of the method to two specific correlated electron systems of current interest: (i) the spinless fermion model with non-local Coulomb interaction in one dimension and (ii) the pressure-induced insulator-metal transition in the colossal magneto-resistive compound LaMnO3. Our results for the ground-state energy of the spinless fermion model are obtained by careful enumeration of the many-body configurations of the system and calculating the Gutzwiller reduction factor to the kinetic energy for general filling. We resolve the inconsistency in the existing literature for this problem as we find that our result for the half-filled case agrees with one of the three papers and attribute the discrepancy between them to the incorrect counting method and the assumption that the Gutzwiller approximation is equivalent to the mean-field slave-boson approach, which is although correct for the on-site Hubbard model, turns out not to be so in the present case. Compared with the exact diagonalization results, we show that the Gutzwiller method indeed offers a better solution than the slave-boson approach. As the second problem, we have studied the ground-state properties of paramagnetic LaMnO3 under hydrostatic pressure at room temperature. We apply the Gutzwiller method to an extended Hubbard model for spinless eg electrons on Mn3+ ion including all important ingredients such as cohesive energy as well as two main competing Coulomb and Jahn-Teller (JT) interactions. The plot of the energy of the paramagnetic LaMnO3 as a function of volume clearly confirms that 1) contrary to the existing accepted theoretical picture for vanishing lattice distortion as the metallic state emerges, the JT distortion survives even beyond the transition pressure into the metallic region and 2) the application of pressure leads to a structural phase separation and breaks the material into two blocks composed of domains of undistorted (metallic character) and distorted (insulating character) MnO6 octahedra; both of these findings have been already observed in experiments with no theoretical explanations. As the key unifying connection between both of these findings we suggest that the pressure-induced transition and the phase coexistence is indeed percolative. Finally, applying the idea of universality in percolation quantities near the threshold, we support our hypothesis by proposing a scaling law for the pressure-dependence of the resistance and use it as a best fit to recently-acquired experimental data. We find good agreement between our proposed model and the experimental results, confirming that the pressure-induced insulator-metal transition in LaMnO3 is indeed percolative.

Strongly Correlated Systems

Strongly Correlated Systems
Author: Adolfo Avella
Publisher: Springer Science & Business Media
Total Pages: 487
Release: 2011-11-01
Genre: Science
ISBN: 3642218318

The volume presents, for the very first time, an exhaustive collection of those modern theoretical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciates consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possible way, with the working details of a specific technique.

Efficient and Accurate Treatment of Electron Correlations with Correlation Matrix Renormalization Theory

Efficient and Accurate Treatment of Electron Correlations with Correlation Matrix Renormalization Theory
Author:
Publisher:
Total Pages:
Release: 2015
Genre:
ISBN:

We present an efficient method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to the evaluation of the expectation values of two particle operators in the many-electron Hamiltonian. The method is free of adjustable Coulomb parameters, and has no double counting issues in the calculation of total energy, and has the correct atomic limit. We demonstrate that the method describes well the bonding and dissociation behaviors of the hydrogen and nitrogen clusters, as well as the ammonia composed of hydrogen and nitrogen atoms. We also show that the method can satisfactorily tackle great challenging problems faced by the density functional theory recently discussed in the literature. The computational workload of our method is similar to the Hartree-Fock approach while the results are comparable to high-level quantum chemistry calculations.

Lectures on the Physics of Highly Correlated Electron Systems X

Lectures on the Physics of Highly Correlated Electron Systems X
Author: Adolfo Avella
Publisher: American Institute of Physics
Total Pages: 322
Release: 2006-07-19
Genre: Science
ISBN: 9780735403406

This book contains lectures on strongly correlated electron systems presented by eminent physicists. These lectures are up-to-date summaries of relevant subjects in the field of condensed matter physics intended to train students. Contributions include: Strongly correlated electron behaviors and heavy Fermions in anomalous rare-earth and actinide systems; strong correlations in low dimensional systems; functional renormalization group approach to correlated electron systems; and numerical approaches to coupled quantum systems.

Correlated Electrons In Quantum Matter

Correlated Electrons In Quantum Matter
Author: Peter Fulde
Publisher: World Scientific
Total Pages: 550
Release: 2012-08-08
Genre: Science
ISBN: 9814397229

An understanding of the effects of electronic correlations in quantum systems is one of the most challenging problems in physics, partly due to the relevance in modern high technology. Yet there exist hardly any books on the subject which try to give a comprehensive overview on the field covering insulators, semiconductors, as well as metals. The present book tries to fill that gap.It intends to provide graduate students and researchers a comprehensive survey of electron correlations, weak and strong, in insulators, semiconductors and metals. This topic is a central one in condensed matter and beyond that in theoretical physics. The reader will have a better understanding of the great progress which has been made in the field over the past few decades.

Strongly Correlated Electron Systems Ii - Proceedings Of The Adriatico Conference And Miniworkshop

Strongly Correlated Electron Systems Ii - Proceedings Of The Adriatico Conference And Miniworkshop
Author: G Baskaran
Publisher: World Scientific
Total Pages: 444
Release: 1991-02-28
Genre: Science
ISBN: 9814569348

This is the second in a series of miniworkshops and Adriatico conferences devoted to the exciting field of strongly correlated electron systems including quantum Hall effect, metal insulator transition, heavy fermions and high Tc superconductivity. In spite of enormous efforts made by physicists worldwide to solve these difficult problems, many important issues are still widely open and this topic remains the most active field in condensed matter physics. The review talks and reports on original research given by the experts in the field represent a state-of-the-art summary of this fast-moving field.

Lectures on the Physics of Highly Correlated Electron Systems X

Lectures on the Physics of Highly Correlated Electron Systems X
Author: American Institute of Physics
Publisher: American Institute of Physics
Total Pages: 324
Release: 2006-07-19
Genre: Science
ISBN:

This book contains lectures on strongly correlated electron systems presented by eminent physicists. These lectures are up-to-date summaries of relevant subjects in the field of condensed matter physics intended to train students. Contributions include: Strongly correlated electron behaviors and heavy Fermions in anomalous rare-earth and actinide systems; strong correlations in low dimensional systems; functional renormalization group approach to correlated electron systems; and numerical approaches to coupled quantum systems.