Title: Cluster Dynamical Mean-Field Theory: Applications to High-Tc Cuprates and to Quantum Chemistry Author(s): Lin, Nan Thesis Consultant(s): Millis, Andrew J.
Reichman, David R. Date: 2012 Type: Dissertations Department: Physics Permanent URL: high-density lipoprotein.handle.internet/10022/AC:P:13443 Notes: Ph.D. Columbia College. Abstract: During this thesis we make use of the lately developed dynamical mean-field approximation to look at problems in strongly correlated electron systems, including high-Tc cuprate superconductors furthermore to some couple of quantum chemical reference systems. Starting with presenting the establishing the interacting electron systems, adopted getting an account across the current understanding in the physics of high-Tc cuprate superconductors. The approximate appliances type in the theoretical framework will most likely be discussed later on. Some quantum chemical method of many-body quantum systems are incorporated for review. Next we present the record methods found in our study. The formalism within the dynamical mean-field approximation will most likely be introduced such as the single-site and cluster versions, adopted using the Exact Diagonalization impurity solver for the solution within the quantum impurity model. Maximum Entropy analytic continuation technique is also discussed, that’s helpful to get the physically relevant response functions. You need to apply dynamical mean-field approximation to high-Tc cuprate superconductors. The 2-particle response functions, for example Raman scattering intensity and optical conductivity, are computed for the two dimensional Hubbard model.
The calculations would be the vertex corrections which are needed to acquire physically reasonable leads to interacting electron systems. We see the physics within the pseudogap in cuprates. The suppression of density of states near Fermi surface exists within our calculations, that’s in qualitative agreement while using the experimental data. Finally we discuss using dynamical mean-field theory to quantum chemistry. We extend the formalism of dynamical mean-field approximation to finite systems, and compare its performance in hydrogen clusters with some other spatial configurations as well as other leading quantum chemical approaches. Dynamical mean-field theory involves mapping onto a quantum impurity model. We further see the quantum impurity model representation within the transition metal dioxide molecules. The conceptual and technical difficulties will most likely be discussed. Subject(s): Condensed matter physics Item views: 448 Metadata: text xml Recommended Citation: Nan Lin. 2012, Cluster Dynamical Mean-Field Theory: Applications to High-Tc Cuprates and to Quantum Chemistry, Columbia College Academic Commons, high-density lipoprotein.handle.internet/10022/AC:P:13443.
The study into Transition Metal Oxides using Dynamical Mean Field Theory
During this thesis, we study strong electron correlation in transition metal oxides.
Within the systems with large Coulomb interaction, specifically the on-site interaction, electrons are usually correlated and cannot be described using traditional one-electron picture, thus the name “strongly correlated systems”. With strong correlation, there’s numerous interesting phenomena of these systems that attract extended-standing interests from both theorists and experimentalists. Transition metal oxides (TMOs) play a principal role in strongly correlated systems, exhibiting many exotic phenomena. The fabrication of heterostructures of transition metal oxides opens many possible directions to deal with bulk characteristics of TMOs furthermore to revealing physical phases not observed in big amounts systems.
Dynamical mean-field theory (DMFT) emerges as being a effective record approach to treat the strong correlation. This mixture of density functional and dynamical mean-field theory (DFT+DMFT) could be a prospective ab initio method of studying realistic strongly correlated materials. We use DMFT furthermore to DFT+DMFT methods as primary strategies to see the strong correlation of these materials.
We concentrate on some aspects and characteristics of TMOs during this work. We see the magnetic characteristics large quantities TMOs and the opportunity of growing the magnetic order in TMO heterostructures. We focus on the metallic/insulating behaviors of people systems to know the way the metal-insulator transition is dependent upon the intrinsic parameters of materials. We investigate caused by billed impurity for that neighborhood in the correlated material, which may be applied, for instance, to examine regarding muon spin relaxation measurements in high-Tc superconductors.
Andrew J. Millis
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