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Out-Of-Equilibrium Dynamics and Locality in Long-Range Many-Body Quantum Systems / Dynamique hors equilibre et localité dans les systèmes quantiques avec interaction de longue portéCevolani, Lorenzo 02 December 2016 (has links)
Cette thèse présente une étude des propagations des corrélations dans les systèmes avec interaction de longue portée. La dynamique des observables locales ne peut pas être décrite avec les méthodes utilisées pour la physique statistique à l’équilibre et les approches complètement nouvelles doivent être développées. Différentes bornes sur l’évolution temporelle des corrélations ont été dérivées, mais la dynamique réelle trouvée dans des données expérimentales et numériques est beaucoup plus compliquée avec différents régimes de propagation. Une approche plus spécifique est donc nécessaire pour comprendre ces phénomènes. Nous présentons une méthode analytique pour décrire l’évolution temporelle d’observables génériques dans des systèmes décrits par des hamiltoniens quadratiques avec interactions de courte et longue portée. Grâce ces expressions, la propagation des observables peut être interprétée comme la propagation des excitations du système. Nous appliquons cette méthode générique à un modèle de spins et on obtient trois régimes différents. Ils peuvent être directement expliqués qualitativement et quantitativement par les divergences du spectre des excitations. Le résultat le plus important est le fait que la propagation, là où elle n’est pas instantanée, est au plus balistique, voir plus lente, alors les bornes permettent une propagation significativement plus rapide. On applique les mêmes expressions analytiques à un système de bosons sur un réseau avec interaction de longue et courte portée. Nous étudions les corrélations à deux corps qui ont un comportement toujours balistique et les corrélations à un corps qui ont un comportement plus riche. Cet effet peut être expliqué en calculant la contribution aux deux observables des différentes excitations qui déterminent les parties du spectre contribuant à l’observable. Ces résultats démontrent que la propagation des observables n’est pas déterminée uniquement par le spectre des excitations mais également par des quantités qui dépendent de l’observable et qui peuvent changer complètement le régime de propagation. / In this thesis we present our results on the propagation of correlations in long-range interacting quantum systems. The dynamics of local observables in these systems cannot be described with the standard methods used in equilibrium statistical physics and completely new methods have to be developed. Several bounds on the time evolution of correlations have been derived for these systems. However the propagation found in experimental and numerical results is completely different and several regimes are present depending on the long-range character of the interactions. Here we present analytical expressions to describe the time evolution of generic observables in systems where the Hamiltonian takes a quadratic form with long- and short-range interactions. These expressions describe the spreading of local observables as the spreading of the fundamental excitations of the system. We apply these expressions to a spin model finding three different propagation regimes. They can be described qualitatively et quantitatively by the divergences in the energy spectrum. The most important result is that the propagation is at most ballistic, but it can be also significantly slower, where the general bounds predict a propagation faster than ballistic. This points out that the bounds are not able to describe properly the propagation, but a more specific approach is needed. We then move to a system of lattice bosons interacting via long-range interactions. In this case we study two different observables finding completely different results for the same interactions: the spreading of two-body correlations is always ballistic while the one of the one-body correlations ranges from faster-than-ballistic to ballistic. Using our general analytic expressions we find that different parts of the spectrum contribute differently to different observables determining the previous differences. This points out that an observable-dependent notion of locality, missing in the general bounds, have to be developed to correctly describe the time evolution.
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Effects of quenched disorder in frustrated magnetsDey, Santanu 13 December 2021 (has links)
This PhD thesis focuses on the mutual interplay of frustration and quenched disorder in magnetic insulators. Frustrated quantum magnets are known to host a plethora of interesting many-body phenomena ranging from noncollinear N\'el ordering to spin liquid phases. In this thesis, the consequences of the breakdown of translation symmetry, a widely occurring phenomenon in real materials, are studied in several examples of frustrated spin systems. The thesis is split into two parts dedicated to different kinds of frustrated magnets and the effects of quenched random perturbations in them. In the first part, bond randomness in frustrated noncollinear ordering is considered. Noncollinear magnetic orders originating from the spontaneous breakdown of continuous spin rotation symmetries at zero temperature are found to be unstable in the presence of exchange randomness. It is shown that in this case, the frustrated N\'{e}el ordering is destroyed for any magnitude of random exchange disorder. The resulting disordered ground states, however, possess interesting distinctions depending on the precise nature of the broken spin rotation symmetry. For SU(2) Heisenberg spins, it is demonstrated that the weak disordered ground describes a classical spin glass at zero temperature with a finite correlation length. At higher disorder, enhanced quantum fluctuations are predicted to modify that ground state into a random-singlet-like form. On the other hand, for noncollinear XY spin systems with U(1) or SO(2) symmetry which have stable integer-valued vortex topological defects, it is instead found that the weak disorder and the strong disorder ground states are distinct even at the classical level. The former has a quasi-long range order spin arrangement, while the latter exhibits a truly short-range ordered state. These two phases are shown to be separated by a Kosterlitz-Thouless-like phase transition point where vortex unbinding takes place. The spontaneously broken chiral degeneracy of noncollinear N\'el ordering is witnessed to be robust up to the point of the vortex-driven phase transition.
In the second part of the thesis, the focus is switched to the effects of quenched disorder on quantum spin liquids. These are quantum disordered phases of matter with long-range entanglement, topological order, and fractionalised excitations that often arise in frustrated spin systems. The U(1) Dirac spin liquid with its magnetic monopole excitations has been identified as a parent state for N\'{e}el, valence-bond solid, and algebraic spin liquid phases. In this thesis, the fate of this state is studied in the presence of quenched random perturbations. It is demonstrated that a wide class of random perturbations induce monopole-driven confinement of the fractionalised quasi-particles of the spin liquid, leading to the onset of a spin glass-like order. Finally, dilution effects in the $\rm Z_2$ spin liquid phase of the Kitaev model are discussed in the presence of generic symmetry allowed interactions. The spin-liquid state remains stable when the non-Kitaev perturbations and dilution are small. However, the low-energy properties of the ground state are altered. It is shown that the degeneracies from the Majorana zero modes, which are known to localise at defect sites of the Kitaev spin liquid, are generically lifted by the non-Kitaev perturbations. Consequently, a dilution-tuned impurity band with a finite density of states is found to emerge.
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Theoretical studies of topology and strong correlations in superconductorsHazra, Tamaghna January 2020 (has links)
No description available.
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On the Remarkable Superconductivity of FeSe and Its Close CousinsKreisel, Andreas, Hirschfeld, Peter J., Andersen, Brian M. 20 April 2023 (has links)
Emergent electronic phenomena in iron-based superconductors have been at the forefront of condensed matter physics for more than a decade. Much has been learned about the origins and intertwined roles of ordered phases, including nematicity, magnetism, and superconductivity, in this fascinating class of materials. In recent years, focus has been centered on the peculiar and highly unusual properties of FeSe and its close cousins. This family of materials has attracted considerable attention due to the discovery of unexpected superconducting gap structures, a wide range of superconducting critical temperatures, and evidence for nontrivial band topology, including associated spin-helical surface states and vortex-induced Majorana bound states. Here, we review superconductivity in iron chalcogenide superconductors, including bulk FeSe, doped bulk FeSe, FeTe1−xSex, intercalated FeSe materials, and monolayer FeSe and FeTe1−xSex on SrTiO3. We focus on the superconducting properties, including a survey of the relevant experimental studies, and a discussion of the different proposed theoretical pairing scenarios. In the last part of the paper, we review the growing recent evidence for nontrivial topological effects in FeSe-related materials, focusing again on interesting implications for superconductivity.
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Modern Electronic Structure Theory using Tensor Product StatesAbraham, Vibin 11 January 2022 (has links)
Strongly correlated systems have been a major challenge for a long time in the field of theoretical chemistry. For such systems, the relevant portion of the Hilbert space scales exponentially, preventing efficient simulation on large systems. However, in many cases, the Hilbert space can be partitioned into clusters on the basis of strong and weak interactions. In this work, we mainly focus on an approach where we partition the system into smaller orbital clusters in which we can define many-particle cluster states and use traditional many-body methods to capture the rest of the inter-cluster correlations.
This dissertation can be mainly divided into two parts. In the first part of this dissertation, the clustered ansatz, termed as tensor product states (TPS), is used to study large strongly correlated systems. In the second part, we study a particular type of strongly correlated system, correlated triplet pair states that arise in singlet fission.
The many-body expansion (MBE) is an efficient tool that has a long history of use for calculating interaction energies, binding energies, lattice energies, and so on. We extend the incremental full configuration interaction originally proposed for a Slater determinant to a tensor product state (TPS) based wavefunction. By partitioning the active space into smaller orbital clusters, our approach starts from a cluster mean-field reference TPS configuration and includes the correlation contribution of the excited TPSs using a many-body expansion. This method, named cluster many-body expansion (cMBE), improves the convergence of MBE at lower orders compared to directly doing a block-based MBE from an RHF reference. The performance of the cMBE method is also tested on a graphene nano-sheet with a very large active space of 114 electrons in 114 orbitals, which would require 1066 determinants for the exact FCI solution.
Selected CI (SCI) using determinants becomes intractable for large systems with strong correlation. We introduce a method for SCI algorithms using tensor product states which exploits local molecular structure to significantly reduce the number of SCI variables. We demonstrate the potential of this method, called tensor product selected configuration interaction (TPSCI), using a few model Hamiltonians and molecular examples. These numerical results show that TPSCI can be used to significantly reduce the number of SCI variables in the variational space, and thus paving a path for extending these deterministic and variational SCI approaches to a wider range of physical systems.
The extension of the TPSCI algorithm for excited states is also investigated. TPSCI with perturbative corrections provides accurate excitation energies for low-lying triplet states with respect to extrapolated results. In the case of traditional SCI methods, accurate excitation energies are obtained only after extrapolating calculations with large variational dimensions compared to TPSCI. We provide an intuitive connection between lower triplet energy mani- folds with Hückel molecular orbital theory, providing a many-body version of Hückel theory for excited triplet states.
The n-body Tucker ansatz (which is a truncated TPS wavefunction) developed in our group provides a good approximation to the low-lying states of a clusterable spin system. In this approach, a Tucker decomposition is used to obtain local cluster states which can be truncated to prune the full Hilbert space of the system. As a truncated variational approach, it has been observed that the self-consistently optimized n-body Tucker method is not size- extensive, a property important for many-body methods. We explore the use of perturbation theory and linearized coupled-cluster methods to obtain a robust yet efficient approximation. Perturbative corrections to the n-body Tucker method have been implemented for the Heisenberg Hamiltonian and numerical data for various lattices and molecular systems has been presented to show the applicability of the method.
In the second part of this dissertation, we focus on studying a particular type of strongly correlated states that occurs in singlet fission material. The correlated triplet pair state 1(TT) is a key intermediate in the singlet fission process, and understanding the mechanism by which it separates into two independent triplet states is critical for leveraging singlet fission for improving solar cell efficiency. This separation mechanism is dominated by two key interactions: (i) the exchange interaction (K) between the triplets which leads to the spin splitting of the biexciton state into 1(TT),3(TT) and 5(TT) states, and (ii) the triplet-triplet energy transfer integral (t) which enables the formation of the spatially separated (but still spin entangled) state 1(T...T). We develop a simple ab initio technique to compute both the triplet-triplet exchange (K) and triplet-triplet energy transfer coupling (t). Our key findings reveal new conditions for successful correlated triplet pair state dissociation. The biexciton exchange interaction needs to be ferromagnetic or negligible compared to the triplet energy transfer for favorable dissociation. We also explore the effect of chromophore packing to reveal geometries where these conditions are achieved for tetracene.
We also provide a simple connectivity rule to predict whether the through-bond coupling will be stabilizing or destabilizing for the (TT) state in covalently linked singlet fission chromophores. By drawing an analogy between the chemical system and a simple spin-lattice, one is able to determine the ordering of the multi-exciton spin state via a generalized usage of Ovchinnikov's rule. In the case of meta connectivity, we predict 5(TT) to be formed and this is later confirmed by experimental techniques like time-resolved electron spin resonance (TR-ESR). / Doctor of Philosophy / The study of the correlated motion of electrons in molecules and materials allows scientists to gain useful insights into many physical processes like photosynthesis, enzyme catalysis, superconductivity, chemical reactions and so on. Theoretical quantum chemistry tries to study the electronic properties of chemical species. The exact solution of the electron correlation problem is exponentially complex and can only be computed for small systems. Therefore, approximations are introduced for practical calculations that provide good results for ground state properties like energy, dipole moment, etc. Sometimes, more accurate calculations are required to study the properties of a system, because the system may not adhere to the as- sumptions that are made in the methods used. One such case arises in the study of strongly correlated molecules.
In this dissertation, we present methods which can handle strongly correlated cases. We partition the system into smaller parts, then solve the problem in the basis of these smaller parts. We refer to this block-based wavefunction as tensor product states and they provide accurate results while avoiding the exponential scaling of the full solution. We present accurate energies for a wide variety of challenging cases, including bond breaking, excited states and π conjugated molecules. Additionally, we also investigate molecular systems that can be used to increase the efficiency of solar cells. We predict improved solar efficiency for a chromophore dimer, a result which is later experimentally verified.
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Correlation effects in the 5f states of uranium intermetallics probed with x-ray spectroscopiesMarino, Andrea 15 April 2024 (has links)
In strongly correlated electron systems the intricate interplay between electronic correlation effects and the tendency to form bands leads to a wealth of fascinating physical phenomena. The theoretical description of such systems is extremely complex and cannot be tackled exactly, so that ingenious modelling based on approximations must be utilized. Experiments are of utmost importance in this regard, since they provide a way to test and verify models, or to help devise better ones.
This Dissertation deals with strongly correlated uranium intermetallic systems. The interesting phases they can adopt include heavy fermion behaviour, unconventional superconductivity, hidden and multipolar order, and exotic induced magnetism. Here the hybridization between the 5f states and the conduction electrons drives the physics. The description of the 5f states is therefore of utmost importance. However, since there is no clear hierarchy of interactions like Coulomb repulsion, spin-orbit coupling, hopping and crystal-field, the modelling is difficult. This is in strong contrast to the more spatially localized 4f states of, e.g., cerium compounds. It is far from clear how to quantitatively describe the electronic structure of uranium intermetallics and whether, for example, an itinerant band approach or an impurity-type model, taking local degrees of freedom explicitly into account, would be a better starting point. In intermetallics, the situation is aggravated by the fact that the modelling lacks important pieces of information. This is not least due to the fact that understanding the formal valence, the filling of the 5f shell, and the relevant symmetries of the $5f$ electrons are experimentally demanding tasks. This Dissertation, therefore, aims at developing new methods and Ans\'atze in this direction.
We use x-ray spectroscopy to investigate the electronic structure, and in particular element-specific Inelastic X-ray Scattering (IXS); resonant (RIXS) at the U M(5) edge and non-resonant (NIXS) at the U O(4,5) edge. Both methods are innovative. For the first time, valence band RIXS measurements with sufficient resolution (150 meV) can be carried out at the U M(5) edge to measure ff excitations in intermetallic uranium compounds. Their existence, if present, provides information about the formal valence or main atomic configuration that determines the symmetry. The orientation dependence of the mutipolar excitations in NIXS (with restrictions also in RIXS), in turn, provides information about the orbital occupation. Atomic full-multiplet calculations are indispensable here.
In addition, photoelectron spectroscopy (PES) is applied, both in the soft as well as in the hard x-ray regime (HAXPES), to investigate the hybridization and localization of the 5f electrons. The energy dependence of the cross-sections allows to determine the orbital contributions in the valence band, so that parameters like, e.g., the double-counting correction for the LDA+DMFT calculations, performed by Prof. A. Hariki from the Osaka Metropolitan University, can be determined from tuning the calculations to the experimental data. This combination of PES and DFT+DMFT provides a reliable new quantitative insight into the number of electrons in the 5f shell and their degree of delocalization.
We consider UGa(2) and UB(2), respectively, as benchmark localized and itinerant systems and investigate them with IXS and PES. UGa(2) is a high-moment ferromagnet, with U-U distances above the Hill limit, while UB(2) is paramagnetic and clearly below the Hill limit. We observe sharp multiplet excitations of the 5f2 configuration in the IXS spectra of UGa(2), but none in the spectra of UB(2). The comparison of the spectra with full-multiplet calculations shows that in UGa(2) the U 5f2 configuration dominates and, from the orientation dependence (RIXS and NIXS), the crystal-field ground state can be determined. We show that the magnetism of this compound is of the induced type.
The cross-section based analysis of the valence band PES data with the LDA+DMFT approach shows that the filling of the 5f shell is similar in both compounds, but that the distribution among different configurations is considerably wider in UB(2). Also the time-dependent charge correlation functions of UGa(2) and UB(2) show a larger itinerancy in the latter compound.
The peculiarity and novelty about this combined study is that a reliable quantitative description of the electronic structure is achieved. This allows, for the first time, an accurate estimation of the 5f occupation and a quantitative description of the U\ 4f core-level PES spectra. This study paves the way to a systematic classification of uranium intermetallics.
We further investigate the substitution series URu(2-x)Fe(x)Si(2) with PES. The systematic study of isostructural and/or isoelectronic series of compounds is crucial in unveiling the origin of their physical properties. URu(2)Si(2) exhibits hidden-order as well as superconductivity, and becomes antiferromagnetic upon Fe doping. Fe substitution seemingly involves the application of chemical pressure to the system. We measure the U 4f PES core-level of the URu(2-x)Fe(x)Si(2) substitution series and observe a non-monotonic shift of spectral weight. We argue that, besides chemical pressure, the Fe density of states at the Fermi level also plays a central role and we propose and extended Doniach diagram where the two effects compete. We also measure NIXS, confirming that the ground state symmetry is a singlet or quasi-doublet of the 5f2 configuration. The magnetic properties must then be understood, as in UGa(2), in terms of induced magnetism.
We extend our study of the UT(2)Si(2) compounds to the case where T = Os, Ir, Pt and Au, i.e. 5d transition metals. Although the T= 3d and 4d transition metal systems have been extensively investigated, the T = 5d compounds lack systematic studies. The comparison of the NIXS spectra with multiplet calculations shows that also here the 5f2 dominates, only for T= Au it is not so clear. The absence of a strong directional dependence impairs the identification of the ground state symmetry. Valence band hard x-ray PES allows to probe the transition metal 5d states directly. U 4f core-level hard x-ray PES gives a qualitative indication of the filling of the 5f shell across the series.
We then focus on hexagonal UNi(2)Al(3) and apply NIXS. Like isoelectronic and isostructural UPd(2)Al(3), it is a prototypical U heavy-fermion compound, showing antiferromagnetic order and unconventional superconductivity. We observe a strong directional dependence of the NIXS spectra at low temperatures. The possible ground-state symmetries of the 5f2 configuration that fit the NIXS data are in contradiction to previous proposals from fits of the static magnetic susceptibility. We put forward a new crystal-field model that describes the high temperature magnetic susceptibility and the NIXS data at low temperatures, and that explains the magnetism.
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Probing Electron Correlations with First-principles Calculations of the High Harmonic Spectrum in SolidsAlam, Didarul 01 January 2023 (has links) (PDF)
High harmonic generation (HHG) is an extreme non-linear phenomenon where strong laser fields interact with a medium to produce coherent and high-frequency harmonics of the incident light. It has emerged as a rapidly growing research area in bulk materials since its first observation in ZnO crystals in 2011. Over the past decade, pioneering studies have already been made in understanding the details of the microscopic mechanism behind this phenomenon, like the role of intra- and inter-band transitions, the contribution of the modulus and the phase of the dipole moment to even and odd harmonic peaks, the role of the oscillating dipoles, effects of broken symmetry, etc. However, the role of electron-electron correlations in the HHG from strongly correlated materials is much less understood. In these materials the interactions between electrons play a significant role, leading to complex and intriguing physical behaviors. In this dissertation, on the example of ZnO, perovskites BaTiO3 and BiFeO3, and transition-metal oxide VO2 I will study the role of electron-electron interaction effects in the HH spectra by using the time-dependent density-functional theory (TDDFT) approach with the exchange-correlation kernel obtained with dynamical mean- field theory (DMFT). In DMFT, one takes into account time-resolved on-site electron-electron interactions (neglected in most of other approaches) that are crucial for a larger part of strongly correlated materials. As I demonstrate, correlation effects significantly modify the HH spectrum, e.g., through the ultrafast modification of the spectrum of the system, as it was found for ZnO. As the next step, I explored the effects of electron-electron correlations in the HH spectrum of BaTiO3 perturbed by intense, few-cycle mid-infrared laser excitations. The correlation effects in this system lead to the emergence of "super-harmonics" - periodic enhancements and suppressions of specific harmonic orders that depend on the correlation strength. I extended my analysis to the case of BiFeO3, where in addition to correlation effects the effects of memory in HHG were analyzed. I have found that both correlation effects and memory lead to an extension of the harmonic cutoff. In my final part, I explored the effect of electron correlations on the HH spectrum of VO2 and compared my findings with the experiment. The obtained results may shed light on the often important role of electron correlations in the HH spectra of solids, providing valuable insights into ultrafast dynamics in complex materials, and contributing to advancements in nonlinear optics and strong-field physics, with the potential for novel photonic devices and imaging techniques in the attosecond and femtosecond regimes.
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Non-equilibrium strongly-correlated dynamicsJohnson, Tomi Harry January 2013 (has links)
We study non-equilibrium and strongly-correlated dynamics in two contexts. We begin by analysing quantum many-body systems out of equilibrium through the lens of cold atomic impurities in Bose gases. Such highly-imbalanced mixtures provide a controlled arena for the study of interactions, dissipation, decoherence and transport in a many-body quantum environment. Specifically we investigate the oscillatory dynamics of a trapped and initially highly-localised impurity interacting with a weakly-interacting trapped quasi low-dimensional Bose gas. This relates to and goes beyond a recent experiment by the Inguscio group in Florence. We witness a delicate interplay between the self-trapping of the impurity and the inhomogeneity of the Bose gas, and describe the dissipation of the energy of the impurity through phononic excitations of the Bose gas. We then study the transport of a driven, periodically-trapped impurity through a quasi one-dimensional Bose gas. We show that placing the weakly-interacting Bose gas in a separate periodic potential leads to a phononic excitation spectrum that closely mimics those in solid state systems. As a result we show that the impurity-Bose gas system exhibits phonon-induced resonances in the impurity current that were predicted to occur in solids decades ago but never clearly observed. Following this, allowing the bosons to interact strongly, we predict the effect of different strongly-correlated phases of the Bose gas on the motion of the impurity. We show that, by observing the impurity, properties of the excitation spectrum of the Bose gas, e.g., gap and bandwidth, may be inferred along with the filling of the bosonic lattice. In other words the impurity acts as a probe of its environment. To describe the dynamics of such a strongly-correlated system we use the powerful and near-exact time-evolving block decimation (TEBD) method, which we describe in detail. The second part of this thesis then analyses, for the first time, the performance of this method when applied to simulate non-equilibrium classical stochastic processes. We study its efficacy for a well-understood model of transport, the totally-asymmetric exclusion process, and find it to be accurate. Next, motivated by the inefficiency of sampling-based numerical methods for high variance observables we adapt and apply TEBD to simulate a path-dependent observable whose variance increases exponentially with system size. Specifically we calculate the expected value of the exponential of the work done by a varying magnetic field on a one-dimensional Ising model undergoing Glauber dynamics. We confirm using Jarzynski's equality that the TEBD method remains accurate and efficient. Therefore TEBD and related methods complement and challenge the usual Monte Carlo-based simulators of non-equilibrium stochastic processes.
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Vers une nouvelle méthode de calcul pour la fonction de Green à un corpsLani, Giovanna 14 November 2011 (has links) (PDF)
Dans ce travail, une nouvelle voie pour le calcul de la fonction de Green (GF) à une particule a été développée. L' objectif est de remédier aux défauts de nombreuses autres approches à plusieurs corps, par exemple l'approximation GW (GWA), dans le traitement des forts effets de corrélation dans les solides. L'idée consiste à résoudre un ensemble d'équations différentielles fonctionnelles et non-linéaires, qui sont centrales à la théorie des perturbations à plusieurs corps. Dans un premier temps, ce qu'on appelle le modèle à un 1-point est employé (une seule valeur pour chaque variable d'espace, temps, spin est retenue) et l'ensemble des équations se réduit alorsà une seule équation algébrique, pour laquelle une solution exacte et explicite est obtenue. La solution est utilisée comme outil de référence pour analyser les performances des autres méthodes bien établies (par exemple, des versions différentes de GW). Par ailleurs, des approximations alternatives sont conçues et pour les plus prometteuses la généralisation à la forme fonctionnelle (complète) est discutée. La dernière partie de cetravail aborde la généralisation de l'approche au-delà du cadre à1-point. Tout d'abord la dépendance en fréquence de la GF est restaurée (tout en conservant le modèle à un 1-point pour les variables d'espace et despin) et l'ensemble des équations est résolu. Il est montré que dans un tel cadre, il est possible de retrouver ce que l'on appelle "l'expansion en cumulants" pour GF- une approximation qui va au-delà de GW et fournit des fonctions spectrales en bon accord avec les expériences de photo-émission . Enfin, à l'aide d'un ansatz, une famille de solutions pour les equations dans leur forme fonctionnelle est obtenue et des moyens sont proposés, allant bien au delà de l'état de l'art, afin d'obtenir des approximations pour celles ayant une signification physique.
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Theoretical approach to Direct Resonant Inelastic X-Ray Scattering on Magnets and SuperconductorsMarra, Pasquale 02 November 2015 (has links) (PDF)
The capability to probe the dispersion of elementary spin, charge, orbital, and lattice excitations has positioned resonant inelastic x-ray scattering (RIXS) at the forefront of photon science. In this work, we will investigate how RIXS can contribute to a deeper understanding of the orbital properties and of the pairing mechanism in unconventional high-temperature superconductors.
In particular, we will show how direct RIXS spectra of magnetic excitations can reveal long-range orbital correlations in transition metal compounds, by discriminating different kind of orbital order in magnetic and antiferromagnetic systems.
Moreover, we will show how RIXS spectra of quasiparticle excitations in superconductors can measure the superconducting gap magnitude, and reveal the presence of nodal points and phase differences of the superconducting order parameter on the Fermi surface. This can reveal the properties of the underlying pairing mechanism in unconventional superconductors, in particular cuprates and iron pnictides, discriminating between different superconducting order parameter symmetries, such as s, d (singlet pairing) and p wave (triplet pairing).
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