Electronic Structure Of Strongly Correlated Materials

Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects. In the present book the basics of the method are given and its application to various material classes is shown. The book is aimed at a broad readership: theoretical physicists and experimentalists studying strongly correlated systems. It also serves as a handbook for students and all those who want to be acquainted with fast developing filed of condensed matter physics.

Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects. In the present book the basics of the method are given and its application to various material classes is shown. The book is aimed at a broad readership: theoretical physicists and experimentalists studying strongly correlated systems. It also serves as a handbook for students and all those who want to be acquainted with fast developing filed of condensed matter physics.

The volume contains the lectures delivered at the XIV Training Course in the Physics of Strongly Correlated Systems, held in Vietri sul Mare (Salerno) Italy, in October 2009. The project of the meeting was to promote the formation of young scientists by means of training through research. These features are reflected in the book: the lectures are up-to-date monographs of relevant subjects in the field of Condensed Matter Physics. Contributions include: Electronic Structure of Strongly Correlated Materials (Electronic structure calculations in one-electron approximation; Hubbard model in Dynamical Mean-Field Theory (DMFT); Electronic structure calculations for real materials by LDA+DMFT method); Computational Studies of Quantum Spin Systems (Quantum spin models, their ground states and quantum phase transitions; Classical phase transitions, Monte Carlo simulations, and finite-size scaling; Exact diagonalization methods; Quantum Monte Carlo simulations and the Stochastic Series Expansion method; Survey of related computational methods); Dynamical Mean-Field Theory of Electronic Correlations in Models and Materials (Mean-field theories for many-body systems; Lattice fermions in the limit of high dimensions; Dynamical mean-field theory for correlated lattice fermions; The Mott-Hubbard Metal-Insulator Transition; Electronic correlations and disorder; Theory of electronic correlations in materials; Kinks in the dispersion of strongly correlated electron systems).

This volume presents, for the very first time, an exhaustive collection of those modern numerical 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 material 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 appreciate 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.

Materials where electrons show nearly localized rather than itinerant behaviour, such as the high-temperature superconducting copper oxides, or manganate oxides, are attracting interest due to their physical properties and potential applications. For these materials, the interaction between electrons, or electron correlation, plays an important rol

This book provides the first systematic discourse on a very peculiarapproach to the theory of strongly correlated systems. HubbardX-operators have been known for a long time but have not been widelyused because of their awkward algebra. The book shows that it ispossible to deal with X-operators even in the general multilevel localeigenstate system, and not just in the case of the nondegenerateHubbard model. X-operators provide the natural language for describingquasiparticles in the Hubbard subbands with unusual doping andtemperature-dependent band structures.

Focusing on the purely theoretical aspects of strongly correlated electrons, this volume brings together a variety of approaches to models of the Hubbard type - i.e., problems where both localized and delocalized elements are present in low dimensions. The chapters are arranged in three parts. The first part deals with two of the most widely used numerical methods in strongly correlated electrons, the density matrix renormalization group and the quantum Monte Carlo method. The second part covers Lagrangian, Functional Integral, Renormalization Group, Conformal, and Bosonization methods that can be applied to one-dimensional or weakly coupled chains. The third part considers functional derivatives, mean-field, self-consistent methods, slave-bosons, and extensions.

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules, Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more. Provides reports on current work in molecular and atomic quantum mechanics Contains work reported by many of the best scientists in the field Presents the latest release in the Advances in Quantum Chemistry series