Transition metal oxides have attracted widespread attention due to their broad range of fascinating exotic phenomena such as multiferroicity, superconductivity, colossal magnetoresistance and metal-to-insulator transition. Due to the interplay between spin, charge, lattice and orbital degrees of freedom of strongly correlated d electrons, these physical properties are extremely sensitive to the external perturbations such as magnetic field, charge carrier doping and pressure, which provide a unique chance in search for novel exotic quantum states. Ruthenate systems are a typical strongly correlated system, with rich ordered states and their properties are extremely sensitive to external stimuli. Recently, the experimental observation of spin-orbit coupling induced Mott insulator in Sr2IrO4 as well as the theoretical prediction of topological insulating state in other iridates, have attracted tremendous interest in the physics of strong correlation and spin-orbit coupling in 4d/5d compounds. We observe an itinerant ferromagnetic ground state of Ca2RuO4 film in stark contrast to the Mott-insulating state in bulk Ca2RuO4. We have also established the epitaxial strain effect on the transport and magnetic properties for the (Ca,Sr)2RuO4 thin films. For Sr2IrO4 thin films, we will show that the Jeff = 1/2 moment orientation can be modulated by epitaxial strain. In addition, we discovered novel Ba7Ir3O13+x thin films which exhibit colossal permittivity. / acase@tulane.edu

The quest for obtaining higher Tc superconductivity led to the discovery of cuprates about 20 years ago. Since then, they continue to puzzle the scientific community with their bizarre properties like non-BCS superconductivity, pseudo gap, Fermi arcs, linear T resistivity etc. Since these materials show unusually high Tc, a novel mechanism is at play and strong correlations are believed to play an important role. The theme of this thesis work is to study physics of such strongly correlated systems in two dimensions at T = 0 along with development of new theoretical tools necessary for the study. The focus of the thesis is on the ground state studies of strongly correlated models like t-J and Hubbard models using variational Monte Carlo (VMC) and renormalized mean field theory (RMFT). The general method is to propose a variational wave function, motivated by the physics ideas, to be a candidate ground state of the system. Methods to efficiently evaluate the ground state energy and minimizing it with respect to the variational parameters are developed in this work. Antiferromagnetism-superconductivity competition and electron-hole asymmetry in the extended t-J model is investigated. The main result of this work is that increasing the magnitude of the next neighbor hopping (t') on hole doped side strengthen superconductivity while it stabilizes antiferromagnetism on the electron doped side. It is also shown that it is possible to characterize the T = 0 phase diagram with just one parameter called as Fermi Surface Convexity Parameter (FSCP). Next, the possibility of phase separation in the t-J model on a square lattice is investigated using local RMFT technique. It is found that for certain doping, the system phase separates into regions with antiferromagnetic and superconducting orders. Next, the role played by crystalline anisotropy of orthorhombic YBCO cuprates on their properties is examined using anisotropic tx-ty-J model and this ground state study suggests that the anisotropies seen in their properties are plausible solely due to the crystalline anisotropy. A new general method to study strongly correlated systems with singlet ground states is developed and tested in this thesis work. The last part of the thesis explores the possibility of high Tc superconductivity in graphene which is a intermediate coupling resonating valence bond (RVB) system. It is found that undoped graphene is not a superconductor, consistent with the experiments. On doping, the ground state of graphene is found to be a superconductor with “d+id” symmetry whose strength shows a dome as a function of doping which is reminiscent of RVB physics.

This Ph.D. thesis in mathematical physics concerns systems of interacting fermions with strong correlations. For these systems the physical properties can only be described in terms of the collective behavior of the fermions. Moreover, they are often characterized by a close competition between fermion localization versus delocalization, which can result in complex and exotic physical phenomena. Strongly correlated fermion systems are usually modelled by many-body Hamiltonians for which the kinetic- and interaction energy have the same order of magnitude. This makes them challenging to study as the application of conventional computational methods, like mean field- or perturbation theory, often gives unreliable results. Of particular interest are Hubbard-type models, which provide minimal descriptions of strongly correlated fermions. The research of this thesis focuses on such models defined on two-dimensional square lattices. One motivation for this is the so-called high-Tc problem of the cuprate superconductors. A main hypothesis is that there exists an underlying Fermi surface with nearly flat parts, i.e. regions where the surface is straight. It is shown that a particular continuum limit of the lattice system leads to an effective model amenable to computations. This limit is partial in that it only involves fermion degrees of freedom near the flat parts. The result is an effective quantum field theory that is analyzed using constructive bosonization methods. Various exactly solvable models of interacting fermions in two spatial dimensions are also derived and studied. / QC 20111207

The objective of this thesis is to reach theoretical understanding of the unusual relationship between charge-ordering and superconductivity in correlated-electron systems. The competition between these broken symmetries and magnetism in the cuprate high temperature superconductors has been extensively discussed, but exists also in many other correlated-electron superconductors, including quasi-two-dimensional organic charge-transfer solids. It has been suggested that the same attractive interaction is responsible for both charge-order and superconductivity. We propose that the specific interaction is the tendency in correlated-electron systems to form spin-singlet bonds, which is strongly enhanced at the commensurate carrier density p of ½ a charge carrier per site, characteristic of all superconducting charge-transfer solids. To probe superconductivity driven by electron correlations, a necessary condition is that electron-electron interactions enhance superconducting pair-pair correlations, relative to the non-interacting limit. We have performed state of the art numerical calculations on the two-dimensional Hubbard model on different triangular lattices, as well as other lattices corresponding to K-BEDT-TTF based organic charge transfer solids, for the complete range of carrier densities per site p (0 ≤ p ≤ 1). We have shown that pair-pair correlation for each cluster is enhanced by electron-electron interaction only for p ≃ 0.5, far away from the density range thought to be important for superconductivity. Although initial focus is on charge-transfer solids, the results of the research will impact the field of correlated electrons as a whole. We believe our calculations will provide fundamental and fresh insight to the theory of superconductivity in strongly correlated systems.

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第18062号 / 理博第3940号 / 新制||理||1568(附属図書館) / 30920 / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)教授 川上 則雄, 教授 石田 憲二, 准教授 藤本 聡 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM

Strongly correlated systems, i.e., quantum materials for which the interactions between its constituents are strong, are good candidates for the development of applications based on quantum-mechanical principles, such as quantum computers. Two paradigmatic models of strongly correlated systems are heavy-fermionic systems and one-dimensional spin-12 systems, with and without quenched disorder. In the past decade, improvement in computational methods and a vast enhancement in computational power has made it possible to study these systems in a a non-perturbative manner. In this thesis we present state-of-the-art numerical methods to investigate the properties of strongly correlated systems, and we apply these methods to solve a couple of selected problems in quantum condensed matter theory. We start by revisiting the phase diagram of the Falicov-Kimball model on the square lattice which can be considered as a heavy-fermionic systems. This model describes an interplay between conduction electrons and heavy electrons and reveals several distinct metal-insulator phase transitions. Using a lattice Monte-Carlo method, we study the transport properties of the model. Our analysis describes the role of temperature and interaction strength on the metal-insulator phase transitions in the Falicov-Kimball model. The second part of the thesis investigate the spatial structure of the entanglement in ground and thermal statesof the transverse-field Ising chain. We use the logarithmic negativity as a measure for the entanglement between two disjoint blocks. We investigate how logarithmic negativity depends on the spatial separation between two blocks, which can be viewed as the entanglement analog of a spatial correlation function. We find sharp entanglement thresholds at a critical distance beyond which the logarithmic negativity vanishes exactly and thus the two blocks become unentangled. Our results hold even in the presence of long-ranged quantum correlations, i.e., at the system’s quantum critical point. Using Time-Evolving Block Decimation (TEBD), we explore this feature as a function of temperature and size of the two blocks. We present a simple model to describe our numerical observations. In the last part of this thesis, we introduce an order parameter for a many-body localized spin-glass (MBL-SG) phase. We show that many-body localized spin-glass order can also be detected from two-site reduced density matrices, which we use to construct an eigenstate spin-glass order parameter. We find that this eigenstate spin-glass order parameter captures spin-glass phases in random Ising chains, both in many-body eigenstates as well as in the nonequilibrium dynamics, from a local in time measurement. We discuss how our results can be used to observe MBL-SG order within current experiments in Rydberg atoms and trapped ion systems.

Analogue quantum simulators have proven to be an extremely versatile tool for the study of strongly-correlated condensed matter systems both near and far from equilibrium. An enticing prospect is the quantum simulation of non- Fermi liquids which lack a quasiparticle description and feature prominently in the study of strange metals, fast scrambling of quantum information, as well as holographic quantum matter. Yet, large-scale laboratory realisations of such systems remain outstanding. In this thesis, we present a proposal for the analogue quantum simulation of one such system, the Sachdev–Ye–Kitaev (SYK) model, using cavity quantum electrodynamics (cQED). We discuss recent experimental advances in this pursuit, and perform analysis of this and related models. Through a combination of analytic calculations and numeric simulations, we show how driving a cloud of fermionic atoms trapped in a multi- mode optical cavity, and subjecting it to a spatially disordered AC-Stark shift, can realise an effective model which retrieves the physics of the SYK model, with random all-to-all interactions and fast scrambling. Working towards the SYK model, we present results from a recent proof-of-principle cQED experiment which implemented the disordered light-shift technique to quantum simulate all- to-all interacting spin models with quenched disorder. In this context, we show analytically how disorder-driven localisation can be extracted from spectroscopic probes employed in cQED experiments, despite their lack of spatially resolved information. Further, we numerically investigate the post-quench dynamics of the SYK model, finding a universal, super-exponential equilibration in the disorder-averaged far-from-equilibrium dynamics. These are reproduced analytically through an effective master equation. Our work demonstrates the increasing capabilities of cQED quantum simulators, highlighting how these may be used to study the fascinating physics of holographic quantum matter and other disorder models in the lab.

Quasi-one-dimensional quantum models are ideal for theoretically exploring the physical phenomena associated with strong correlations. In this thesis we study three examples where strong correlations play an important role in the static or dynamic properties of the system. Firstly, we examine the behaviour of a doped fermionic two-leg ladder in which umklapp interactions are present. Such interactions arise at special band fillings and can be induced by the formation of charge density wave order in an array of two-leg ladders with long-range (three-dimensional) interactions. For the umklapp which arises from the half-filling of one of the bands, we show that the low-energy theory has a number of phases, including a strong coupling regime in which the dominant fluctuations are superconducting in nature. These superconducting fluctuations carry a finite wave vector – they are the one-dimensional analogue of Fulde-Ferrell-Larkin-Ovchinnikov superconductivity. In a second example, we consider a quantum spin model which captures the essential one-dimensional physics of CoNb₂O₆, a quasi-one-dimensional Ising ferromagnet. Motivated by high-resolution inelastic neutron scattering experiments, we calculate the dynamical structure in the paramagnetic phase and show that a small misalignment of the transverse field can lead to quasi-particle breakdown – a surprising broadening in the single particle mode observed in experiment. Finally, we study the out-of-equilibrium dynamics of a model with tuneable integrability breaking. When integrability is broken by the presence of weak interactions, we show that the system relaxes to a non-thermal state on intermediate time scales, the so-called “prethermalization plateau”. We describe the approximately stationary behaviour in this regime by constructing a generalised Gibbs ensemble with charges deformed to leading order in perturbation theory. Expectation values of these charges are time-independent, but interestingly the charges do not commute with the Hamiltonian to leading order in perturbation theory. Increasing the strength of the integrability breaking interactions leads to behaviour compatible with thermalisation. In each case we use a combination of perturbative analytical calculations and non-perturbative numerical computations to study the problem at hand.

This dissertation reports on the synthesis, structural and thermal characterization and electrical and thermal transport properties of a variety of strongly correlated spinels. General structure property relationships for electrical and thermal transport are discussed. However, the relationship between thermopower and features of the crystal structure such as spin, crystal field, anti-site disorder, and structural distortions are explored in depth. The experimental findings are reported in the context of improving existing oxide thermoelectric materials, screening for new materials or using thermopower as a unique characterization tool to determine the cation distribution in spinels. The need for improved n-type oxide thermoelectric materials has led researchers to consider mixed valence \((+3/+4)\) manganese oxides. Contrary to previous findings we report herein that the \(LiMn_2O_4\) compound reaches the relatively large n-type thermopower of \(-73 \mu V/K\) which is three times larger than the value observed in other manganese oxides, \(-25 \mu V/K\). The cause of this increase in thermopower is shown to be the absence of a Jahn-Teller distortion on the \(Mn^{3+}\) ions in \(LiMn_2O_4\). By avoiding this structural distortion the orbital degeneracy is doubled and the Koshibae et al.’s modified Heikes formula predicts a thermopower of \(-79 \mu V/K\) in good agreement with the experiment. Altering the \(Mn^{3+/4+}\) ratio via aliovalent doping did not affect the thermopower and is a second evidence of universal charge transport first reported by Kobayashi et al. The role of anti-site disorder was further examined in \(Fe_xMn_{1-x}NiCrO_4\) x=0, ½, ¾, 1 spinels but the effect on thermopower was inconclusive due to the presence of impurity phases. Next, the thermopower as a function of temperature in \(Co_3O_4\) was investigated as a means whereby the Wu and Mason’s 30 year old model for using thermopower to calculate cation distribution in spinels could be revisited. We report evidence that Wu and Mason’s original model using the standard Heikes formula and considering octahedral sites alone leads to a stoichiometrically inconsistent result at high temperatures. Alternate models are evaluated considering Koshibae et al.’s modified Heikes formula and accounting for tetrahedral site contributions. Furthermore, the effect of a possible spin state transition is considered. / Engineering and Applied Sciences

[pt] Investigamos as propriedades de transporte de spin polarizado através de um ponto quântico conectado a dois terminais. A corrente elétrica que circula em nosso sistema pode ter sua polarização modulada através de um potencial de porta que controla o acoplamento spin-órbita (efeito Rashba). Nós estudamos o efeito de polarização do spin em um transistor constituído por um ponto quântico em que suas energias podem ser controladas através de um outro potencial de porta que opera apenas na região de confinamento. O alto grau de confinamento e correlação entre as cargas dão origem a fenômenos físicos interessantes que descreveremos neste trabalho. Nós demonstramos que através da manipulação de um potencial externo é possível controlar de uma maneira extremamente eficiente a intensidade e a polarização da corrente através do sistema. Outro parâmetro importante que iremos manipular para uma compreensão detalhada do sistema é o campo elétrico externo. Na segunda parte deste trabalho estudamos a evolução temporal da função de onda, suposta inicialmente como um pacote de onda circulando nosso sistema composto por um ponto quântico. Podemos comprovar efeitos de tunelamento ressonante e efeitos de interferência de nosso pacote inicial ao longo do tempo e, além disso, estudamos também efeitos de interação spin- órbita na polarização de nosso pacote de onda. / [en] We investigated spin polarized transport properties through a quantum dot connected with two terminals. An electric current that circulates in our system can have its polarization modulated with an external potential that controls the spin orbit coupling (Rashba effect). We studied the effect of spin polarization n a transistor constituted by a quantum dot where its energies can be controlled with a gate potential that operates only in the confinement region. The high confinement and correlation between the charges give rises to interesting phenomena that we describe in this work. We demonstrate that tuning an external potential it is possible to control with a extremely efficient precision the intensity and the polarization of the current through this system. Another important parameter that we used to better understand this system was the external electric field. In the second part of this work, we studied the time evolution of a wave function supposed to be initially a wave package circulating our system composed by a quantum dot. We can prove resonant tunneling effects and interference effects in such a wave package as time goes by and we also studied spin orbit interaction effects on the polarization of the carrier.