Orientador: Eduardo Miranda / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-10-31T13:24:18Z (GMT). No. of bitstreams: 1 HoyosNeto_JoseAbel_D.pdf: 1434769 bytes, checksum: 70acbb99e5c8d9636d4209b0919b56ca (MD5) Previous issue date: 2005 / Resumo: O propósito desse trabalho é estudar o papel da desordem em sistemas de spins fortemente interagentes de baixa dimensionalidade. Do ponto de vista teórico, cadeias de spin são extremamente atrativas por apresentarem uma nova física de baixas energias que vem da competição entre o ordenamento magnético e as .utuações quânticas. A introdução de desordem, onipresente no contexto experimental, é um elemento que pode desestabilizar as fases puras dando origem a uma nova física. Essa é a motivação principal do estudo de seu papel. Neste trabalho nós estudamos 4 sistemas de spins antiferromagnéticos desordenados:(i ) as escadas de spins-1/2 dos tipos 2 pernas e zig-zag, (ii ) as cadeias isotrópicas de spins SU(N), (iii ) a cadeia anisotrópica de spins SU(4), e (iv ) revisitamos a cadeia de spins-1/2. O estudo destes sistemas foi realizado aplicando generalizações da técnica do grupo de renormalização no espaço real para desordem forte. No caso do primeiro sistema, nós mostramos que as escadas de spins sempre renormalizam em cadeias de spins muito bem conhecidas. A escada de 2 pernas renormaliza para uma cadeia de spins-1/2 dimerizada antiferromagnética desordenada e, portanto, possui duas fases. Para dimerização forte ou equivalentemente desordem fraca, o sistema se encontra na fase de Haldane onde há um "gap" e a desordem é irrelevante. Para dimerização fraca ou equivalentemente desordem forte, o "gap" de Haldane se fecha e o sistema se encontra numa fase de Griffiths onde as quantidades termodinâmicas são controladas por um expoente não universal denominado expoente dinâmico z . Em contraste, a escada zig-zag renormaliza ou para uma cadeia de spins-1/2 antiferromagnética desordenada ou para uma cadeia de spins com acoplamentos ferro e antiferromagnéticos desordenada. Se a desordem e a frustração são suficientemente fracas, a escada renormaliza para a primeira cadeia, caso contrário esta pertence à mesma classe de universalidade da segunda. Além disso, relacionamos o expoente dinâmico da cadeia de spins com acoplamentos ferro e antiferromagnéticos com a distribuição de ponto fixo desses acoplamentos. Finalmente, através de argumentos simples, consideramos dizimações de acoplamentos correlacionados. Nesse caso, torna-se bem claro que a frustração é responsável pelo surgimento de acoplamentos ferromagnéticos que põem a escada na bacia de atração do ponto fixo das cadeias com acoplamentos ferro e antiferromagnéticos. Com relação à cadeia SU(N), desenvolvemos uma generalização do método do grupo de renormalização para desordem forte para uma cadeia isotrópica antiferromagnética de spins que pertencem à representações irredutíveis totalmente anti-simétricas do grupo SU(N), com N maior ou igual a 2. Conseguimos resolver as equações de fluxo analiticamente e descobrimos que essas cadeias pertencem a uma nova classe de universalidade cujos pontos fixos são de desordem infinita e, por tal motivo, nossos resultados se tornam assintoticamente exatos. Próximo a esses pontos fixos, os expoentes característicos são universais, i. e., independentes da desordem inicial da cadeia, e dependem somente do posto N do grupo de simetria. Devido às similaridades entre as regras de aglomeração de spins quando da dizimação de uma cadeia de spins com acoplamentos ferro e antiferromagnéticos e da dizimação da cadeia isotrópica de spins SU(N) no limite N ® µ , fomos capazes de calcular analiticamente, através de expansões de 1/N , a função correlação da primeira cadeia.Com relação à cadeia de spins SU(4), modificamos a generalização do método de grupo de renormalização para levar em conta a anisotropia dos acoplamentos. Conseguimos determinar o diagrama de fases através de cálculos analíticos e numéricos. Todos os pontos fixos encontrados são universais e de desordem infinita, entretanto, os expoentes característicos dependem de uma maneira não trivial da anisotropia do sistema. Por fim, revisitamos a cadeia de spins-1/2 antiferromagnética. Calculamos a amplitude da função de correlação média e a relacionamos com a amplitude da entropia de emaranhamento da mesma. Além disso, argumentamos em favor da universalidade dessas amplitudes / Abstract: The purpose of this thesis is the study of the role of quenched disorder in low-dimensional strongly interacting quantum spin systems. From the theoretical point of view, spin chains are extremely attractive due to their unconventional behavior that originates in the competition between magnetic ordering and quantum fluctuations. The introduction of disorder, ubiquitous in experimental realizations, is an element that can destabilize the clean phases giving rise to new physical behavior. That is the main motivation of this study. In this thesis, we study 4 random antiferromagnetic spin systems: (i ) the spin-1/2 two-leg and zigzag ladders, (ii ) the isotropic SU(N) spin chains, (iii ) the anisotropic SU(4) spin chain, and (iv ) we also revisit the spin-1/2 chain. For such a task, we use generalizations of the strong disorder real-space renormalization group method. Concerning the first systems, we show that the ladders are always renormalized to well-known spin chains. The two-leg ladder is renormalized to a random dimerized antiferromagnetic spin-1/2 chain, hence exhibiting two phases. For strong dimerization or equivalently weak disorder the system is in the gapful Haldane phase where disorder is irrelevant. Otherwise, the Haldane gap closes and the system is driven into a nonuniversal Griffiths phase, where the thermodynamical quantities are controled by the dynamical exponent z. In contrast, the zigzag ladder is renormalized either to a random antiferromagnetic spin-1/2 chain or to a random spin chain with both ferro- and antiferromagnetic couplings. If the randomness and frustration are sufficiently weak, the ladder is renormalized to the former chain, but otherwise it belongs to the same universality class of the latter one. In addition, we related the dynamical exponent of the ferro- and aniferromagnetic spin chain with its fixed point coupling constant distributions. Moreover, through simple qualitative arguments, we determined the phase diagram of the zigzag ladder with correlated disorder. That calculation clearly showed that frustration is responsible for the appearance of ferromagnetic couplings, which place the system in the basin of attraction of the fixed point of the ferro- and antiferromagnetic spin chains. With respect to theSU(N) spin chain, we developed a generalization of the strong-disorder renormalization group method to the case of an antiferromagnetic isotropic spin chain whose spins belong to the totally antisymmetric irreducible representations of the SU(N) group, with N greater than or equal to 2. We solved the flow equations analytically and found that such chains belong to a new universality class whose fixed point distributions are characterized by infinite disorder, rendering our results asymptotically exact. The characteristic exponents of these fixed points are universal, i. e., independent of the bare disorder, and depend only on the symmetry group rank. Due to the similarities of the spin clustering rules between the ferro- and antiferromagnetic spin chain and the isotropic SU(N) spin chain in the limit of N ® µ, we were able to analytically calcu- late, through a 1/N expansion, the mean correlation function of the former chain. In the case of the SU(4) spin chain, we modified the generalization of the renormalization group method to take into account the coupling anisotropy. We determined the phase diagram through analytical and numerical calculations. All fixed points found are universal and of infinite-randomness type. However, the characteristic exponents depend in a nontrivial fashion on the anisotropy. Finally, we revisited the antiferromagnetic spin-1/2 chain. We calculated the amplitude of the mean correlation function and related it with the amplitude of the entanglement entropy of the chain. In addition, we gave arguments in favor of the universality of these amplitudes / Doutorado / Física da Matéria Condensada / Doutor em Ciências

Plasmonic waves in solid-state are caused by collective oscillation of mobile charges inside or at the surface of conductors. In particular, surface plasmonic waves propagating at the skin of metals have recently attracted interest, as they reduce the wavelength of electromagnetic waves coupled to them by up to ~10 times, allowing one to create miniaturized wave devices at optical frequencies. In contrast, plasmonic waves on two-dimensional (2D) conductors appear at much lower infrared and THz-GHz frequencies, near or in the electronics regime, and can achieve far stronger wavelength reduction factor reaching well above 100. In this thesis, we study the unique machinery of 2D plasmonic waves behind this ultra-subwavelength confinement and explore how it can be used to create various interesting devices. To this end, we first develop a physically intuitive theoretical formulation of 2D plasmonic waves, whose two main components---the Coulomb restoration force and inertia of the collectively oscillating charges---are combined into a transmission-line-like model. We then use this formulation to create various ultra-subwavelength 2D plasmonic devices. For the 2D conductor, we first choose GaAs/AlGaAs heterostructure---a 2D electron gas consisting of massive (m*>0) electrons---demonstrating plasmonic bandgap crystals, interferometers, and negatively refracting metamaterials. We then examine a 2D plasmonic device based on graphene, a 2D electron gas consisting of effectively massless (m*=0) electrons. We theoretically show and experimentally demonstrate that the massless electrons in graphene can surprisingly exhibit a collective mass when subjected to a collective excitation, providing the inertia that is essential for the propagation of 2D plasmonic waves. Lastly, we theoretically investigate the thermal current fluctuation behaviors in massive and massless electron gases. While seemingly unrelated on first sight, we show that the thermal current fluctuation is actually intimately linked to the collective mass of the massive or massless electron gas. Thus, we show that the thermal current fluctuation behaviors can also be described by the same theoretical framework introduced earlier, suggesting a possibility to design new concept devices and experiments based on this linkage. / Engineering and Applied Sciences

京都大学 / 0048 / 新制・課程博士 / 博士(人間・環境学) / 甲第22546号 / 人博第949号 / 新制||人||226(附属図書館) / 2019||人博||949(吉田南総合図書館) / 京都大学大学院人間・環境学研究科相関環境学専攻 / (主査)准教授 木下 俊哉, 教授 吉田 鉄平, 教授 森成 隆夫 / 学位規則第4条第1項該当 / Doctor of Human and Environmental Studies / Kyoto University / DGAM

No description available.

Dans cette thèse nous avons étudié des indicateurs visant à caractériser les propriétés métalliques ou isolantes de systèmes de basse dimensionnalité à partir de calculs théoriques basés sur la fonction d'onde. Ces systèmes sont intéressants car ils permettent une compréhension en profondeur des phénomènes physiques qui peuvent ensuite être extrapolés à des systèmes plus étendus. Afin de réaliser cette étude nous avons utilisé un nouvel outil basé sur la théorie de la conductivité de Kohn : le tenseur de délocalisation total ou total position spread-tensor (TPS). Ce tenseur est défini comme le second cumulant de l'opérateur position : ? = <?|X2|?> - <?|X|?>2. Divisé par le numéro des électrons, il diverge quand la fonction d'onde est fortement délocalisée (forte fluctuation de la position des électrons) et converge vers une valeur finie dans le cas contraire. Ainsi, la conductivité est relié à la délocalisation de la fonction d'onde. Dans ce travail, deux définitions du TPS ont été abordées : une quantité sommée sur le spin (spin-summed TPS, SS-TPS) d'une part, et une décomposition selon le spin (spin-partitioned TPS, SSP-TSP) d'autre part. Cette dernière s'est avérée être un outil très efficace pour l'étude de systèmes fortement corrélés. Au cours de la thèse, nous avons commencé par étudier plusieurs systèmes diatomiques présentant des liaisons de natures différentes à l'aide de calculs d'interaction de configurations totale (FCI). Le TPS présente alors un maximum dans une zone précédant la rupture de liaison avant de converger asymptotiquement vers les valeurs atomiques, comme la consistance de taille du tenseur le laissait présager. Dans le cas de systèmes pour lesquels l'état électronique présente un croisement évité, le TPS diverge, mettant ainsi en évidence la forte délocalisation de la fonction d'onde. Le SS-TPS est donc un indicateur de choix pour suivre la nature de la liaison chimique. Nous avons ensuite considéré des systèmes à valence mixte de type II pour lesquels l'état fondamental présente un double-puits de potentiel avec un croisement évité avec le premier état excité. Il est donc nécessaire ici d'utiliser un traitement multi-configurationnel. Deux systèmes modèles ont ainsi été étudiés : i) deux di- mères H2 en interaction faible au niveau FCI et ii) un composé du type spiro au niveau CAS-SCF (à l'aide d'un code que nous avons implémenté dans Molpro). Dans les deux cas, le TPS présentait un maximum très marqué dans la région du croisement évité, signature d'une forte mobilité électronique. Nous nous sommes également intéressés à trois types de chaines d'atomes d'hydrogène : i atomes équidistants ii) chaines dimérisées à longueur de liaison H2 fixée et iii) chaines dimérisées. Tant le SS-TPS que le SP-TPS montrent des comportements différents selon le type de chaine considérée. Les premières ont un caractère métallique et une délocalisation de spin prononcée dans le régime fortement corrélé. Les secondes sont de nature isolante avec une délocalisation limitée. Les chaines dimérisées, quant à elle, dissocient très rapidement vers un état isolant mais avec une forte délocalisation de spin. Ces chaines demi-remplies ont aussi été traitées à l'aide d'hamiltonien de Hubbard et de Heisenberg. Nous avons ainsi pu rationaliser le comportement des SS-TPS et SP-TPS en variant le rapport de l'intégrale de saut et de la répulsion électron- électron (-t/U) entre sites adjacents. Le caractère ferromagnétique/anti-ferromagnétique a également pu être suivi en modifiant la valeur de la constante de couplage J dans le cas fortement corrélé. Finalement, ces indicateurs ont été mis en oeuvre pour des polyacenes cycliques. Dans ce cas, le TPS a permis de comprendre la nature des fonctions d'onde de l'état fondamental obtenues au niveau CAS-SCF et NEVPT2. / I carried out a theoretical study to characterize metallic and insulating properties of low-dimensional systems using wave function methods. Low-dimensional systems are particularly important because they allow an understanding that can be extrapolated to higher dimensional systems. We have employed a new tool based on the theory of conductivity of Kohn that we have named: total position-spread tensor (TPS). The TPS is defined as the second moment cumulant of the total position operator: ? = <?|X2|?> - <?|X|?>2 . The tensor divided by the number of electrons diverges when the wave function is delocalized (high fluctuation of electrons' positions), and it takes finite values for localized ones. In this way, the electrical conductivity is related to the proper delocalization of the wave function. In addition, the tensor can be divided in spin-summed (SS-TPS) and spin-partitioned tensors (SP-TPS). The latter one becomes a powerful tool to the study of strongly correlated systems. In this dissertation, we started to investigate at full configuration interaction (FCI) level diatomic molecules showing different types of bond. The TPS presented a marked maximum before the bond was broken and in the asymptotic limit one recovers the TPS values of isolated atoms (size consistency). For the case of diatomic systems showing avoided-crossing electronic states, the TPS diverges evidencing the high delocalization of the wave function. Therefore, the SS-TPS is capable of monitoring and characterizing molecular wave functions. We considered mixed-valence systems that are often distinguished by a double-well potential energy surface presenting an avoided-crossing. Thus, such a configuration possesses a strongly multireference nature involving at least two states of the same symmetry. Two different systems were investigated: i) two weakly interacting hydrogen dimers that were investigated at Full CI level, and ii) a spiro like molecule where the TPS tensor was evaluated in a CAS-SCF state-averaged wave function using our implementation of the SS- TPS formalism in MOLPRO. We found that the tensor's component in the direction of the electron transfer (ET) shows a marked maximum in the avoided-crossing region, evidencing the presence of a high electron mobility. The formalisms of the SS- and SP-TPS was applied to one dimensional systems composed by three types of half-filled hydrogen chains: i) equally-spaced chains, ii) fixed-bond dimerized chains, and iii) homothetic dimerized chains. Both the SS- and SP-TPS showed different signatures associated to the three types of systems. Equally-spaced chains have metallic wave functions and a high spin delocalization in the strongly correlated regime. In contrast, fixed-bond dimerized chains have an insulating character and a restricted spin delocalization. Finally, homothetic dimerized chains dissociate very quickly which renders them in the insulating state but with a high spin delocalization. We also studied half-filled chains by using the Hubbard and the Heisenberg Hamiltonians. On the one hand, we were able to depict the response of the SS- and SP-TPS by varying the ratio between the hopping and electron-electron repulsion (-t/U parameter) of topological connected sites. On the other hand, the ferromagnetic and anti-ferromagnetic character of the wave functions were evaluated by varying the coupling constant (J) in the strongly correlated systems. A theoretical study of closed polyacenes (PAH) structures was performed at CAS-SCF and NEVPT2 level. Our methodology for choosing the active space using the Hückel Hamiltonian was able to characterize the ground state of the systems that indeed fulfilled the Ovchinnikov rule. Finally, we applied the SS-TPS to understand the nature of the wave functions of these PAHs.

<p>In this thesis, we present the results for the finite frequency response of a variety of materials. These materials all share the common theme that their low energy excitations are Dirac-like. This coincidence was not by design, and highlights the now-ubiquitous nature of Dirac-quasiparticles in condensed matter physics. We present results for graphene, the high temperature superconducting cuprates, and Weyl semi metals. For graphene, our calculations revolve around a new experimental technique: Near field infrared spectroscopy. Conventionally it is ok to use the $\vec{q}\rightarrow 0$ limit when calculating the low energy optical response. This new technique is able to directly probe the finite $\vec{q}$ response by using an atomic force microscope tip as an antenna. We computed the optical conductivity of graphene at finite wavevector and studied how the quasiparticle peak is altered by disorder and the electron-phonon interaction. The calculations on the high $T_c$ cuprates use a model of the pseudogap phase known as the Yang, Rice and Zhang (YRZ) model. We employed the model to study the resistivity in the pseudogap regime, both in-plane and along the c-axis. We used a coherent tunneling matrix element to describe transport along the c-axis. We found that the model was able to reproduce the metaliclike behavior in the plane while being resistive out of plane. We then extended the model to the finite frequency response, as well as the superconducting phase. We found a pseduogap feature at finite frequency that was previously explained through an interlayer collective mode. We also found that microwave spectroscopy puts strong limits on the form of the scattering rate. Finally, we computed the optical response of Weyl semimetals subjected to an applied magnetic field. Weyl semimetals are a topological phase of matter that have yet to be observed. The form of the conductivity contains a series of asymmetric peaks, whose spacing is a signature of the underlying relativistic dispersion. These peaks remain robust, even with moderate disorder.</p> / Doctor of Philosophy (PhD)

Tesis por compendio / [EN] The dimensionality of the system plays a decisive role in the behavior of the electronic dynamics of interacting electrons. In particular, the quasi-2D dimensionality is responsible for the unusual behavior observed in graphene-like materials and layered van-der-Waal systems. Moreover, such effects are also observed for superconducting materials of high critical temperature, even in the normal state, due to their low-dimensionality. The experimental study of graphene triggered a growing attention to respective electronic properties, because the honeycomb lattice defines a band structure with two nodal points in the Brillouin zone which determines a relativistic Dirac-type electronic dynamics. Within a theoretical framework, many properties of single-layer graphene have been studied to allow further characterization of this material. These properties are unconventional due to the unique band structure of graphene, which is described in terms of Dirac fermions, creating links with certain theories of particle physics. In fact, several theoretical groups have employed phenomenological models inspired in quantum cromodynamics (i.e. Nambu-Jona Lassino and Gross-Neveu models) applied to the study of graphene properties. These properties are responsible for the unusual phenomena, such as the fractional Hall effect, which allows the possibility for magnetic catalysis of an excitonic gap, ferromagnetism and superconductivity. The research of high critical temperature superconductors with impurity centers is significant for understanding the underlying physics of such disordered systems. While the cuprate family present insulating properties in the pristine state, the undoped iron pnictides (i.e. LaOFeAs) show a semi-metallic behavior. Inspite these diferences, both compounds are layered structures, where the superconducting state is supported by a quasi-2D square lattice. While for iron pnictides this state is formed by the FeAs layer, the cuprate superconducting state is formed by the CuO layer. The current work focuses on the theoretical study of the structural, electronic and optical properties of graphene-type materials, such as bilayer graphene; and also of s- and d-wave superconductors, more specifically iron pnictides and cuprates, respectively. Furthermore, disordered systems will be focused upon since these (quasi-)2D systems are quite sensitive to disorder. Such properties have major importance for technological device applications, as can be observed in the increasing technological fields of high temperature superconductores and electronic devices. The type of perturbations applied to the systems of interest are chemical impurities and/or external electric bias, and these show variations of the electronic and optical properties when compared to the pristine systems. / [ES] La dimensionalidad de un sistema juega un papel fundamental en la conducta de la dinámica de los electrones que interactúan. En particular, la dimensionalidad cuasi-2D es responsable del comportamiento inusual observado en materiales de tipo grafeno y sistemas laminares basados en enlaces de tipo van der Waals. Además, estos efectos también se observan en materiales superconductores de alta temperatura crítica, incluso en el estado normal, debido a su baja dimensionalidad. El estudio experimental del grafeno provocó una atención creciente a sus propie-dades electrónicas, porque su estructura en forma de panal de abejas da lugar a una estructura de bandas con dos puntos nodales en la zona de Brillouin que determina una dinámica electrónica relativista de tipo Dirac. En el plano teórico, muchas propiedades del grafeno de una sola capa se han estudiado para permitir una mayor caracterización de este material. Estas propiedades son poco convencionales debido a la singular estructura de bandas del grafeno, que se describe en términos de fermiones de Dirac, lo que crea vínculos con ciertas teorías de la física de partículas. De hecho, varios grupos teóricos han empleado modelos fenomenológicos inspirados en la cromodinámica cuántica (es decir, los modelos Nambu-Jona Lassino y Gross-Neveu) aplicados al estudio de las propiedades del grafeno. Estas propiedades son responsables de inusuales fenómenos, como el efecto Hall fraccionario, que permite la posibilidad de catálisis magnética de un gap excitónico, ferromagnetismo y superconductividad. La investigación de superconductores de alta temperatura crítica con centros de impurezas es importante para comprender la física subyacente de tales sistemas desordenados. Mientras que la familia de los cupratos presenta propiedades aislantes en estado prístino, los pnictogenuros de hierro sin dopar (es decir, LaOFeAs) muestran un comportamiento semimetálico. A pesar de estas diferencias, ambos compuestos son estructuras en capas, donde el estado superconductor está respaldado por una red cuadrada cuasi-2D. Mientras que para los pnictogenuros de hierro este estado está formado por la capa de FeAs, el estado superconductor de cuprato está formado por la capa de CuO. El presente trabajo se centra en el estudio teórico de las propiedades estructurales, electrónicas y ópticas de los materiales de tipo grafeno, como el grafeno bicapa; y también de superconductores de ondas s y d, más específicamente pnictogenuros y cupratos de hierro, respectivamente. Además, se hace hincapié en sistemas desordenados ya que estos sistemas (cuasi-)2D son bastante sensibles al desorden. Tales propiedades tienen gran importancia para aplicaciones de dispositivos tecnológicos, como se puede observar en la creciente tecnología campos de tensiotrónica y espintrónica. El tipo de perturbaciones aplicadas a los sistemas de interés son las impurezas químicas y campos eléctricos externos. Estas perturbaciones producen variaciones de las propiedades electrónicas y ópticas cuando se comparan con los sistemas prístinos. / [CAT] La dimensionalitat d'un sistema juga un paper fonamental en la conducta de la dinámica dels electrons que interactúen. En particular, la dimensionalitat cuasi-2D és responsable del comportament inusual observat a materials de tipus grafè i sistemes laminars basats en enllaços de tipus van der Waals. A més a més, aquestos efectes també s'observen a materials superconductors d'alta temperatura crítica, inclús al seu estat normal, degut a la seua baixa dimensionalitat. L'estudi experimental del grafè va produir una atenció creixent a les seues propietats electròniques, perque la seua estructura en forma de panal d'abelles dona lloc a una estructura de bandes amb dos punts nodals a la zona de Brillouin que determinen una dinámica electrónica relativista de tipus Dirac. Al planol teòric, moltes propietats del grafè d'una sola capa s'han estudiat per a permetre una major caracterizació d'aquest material. Aquestes propietat són poc convencionals degut a la singular estructura de bandes del grafè, que es descriu mitjançant fermions de Dirac. Aquestos fermions permeten establir víncles amb certes teories de la física de particles. De fet, alguns grups teòrics han empleat models fenomenològics inspirats a la cromodinàmica quàntica (es a dir, els models Nambu-Jona Lassino i Gross-Neveu) aplicats a l'estudi de les propietats del grafè. Aquestes propietats són responsables d'inusuals fenómens, com l'efecte Hall fraccionari, que permet la possibilitat de catálisi magnètica d'un gap excitònic, ferromagnetisme i superconductivitat. La investigació de superconductors d'alta temperatura crítica amb centres d'impureses és important per a comprendre la física subjacent de tals sistemes desordenats. Mentre que la família dels cuprats presenta propietats aïllants en estat pristí, els pnictogenurs de ferro sense dopar (és a dir, LaOFeAs) mostren un comportament semimetálico. Malgrat aquestes diferències, tots dos compostos són estructures en capes, on l'estat superconductor està recolzat per una xarxa quadrada quasi-2D. Mentre que per als pnictogenurs de ferro aquest estat està format per la capa de FeAs, l'estat superconductor dels cuprats està format per la capa de CuO. El present treball es centra en l'estudi teòric de les propietats estructurals, electròniques i òptiques dels materials de tipus grafè, com el grafè bicapa; i també de superconductors d'ones s i d, més específicament pnictogenurs i cuprats de ferro, respectivament. A més a més, es fa emfasi en sistemes desordenats ja que aquestos sistemes (cuasi-)2D són prou sensibles al desordre. Aquestes propietats tenen gran importància per a aplicacions de dispositius tecnològics, com es pot observar a la creixent tecnologia dels camps de la tensiotrònica i l'espintrònica. El tipus de pertorbacions aplicades als sistemes d'interés són les impureses químiques i els camps elèctrics externs. Aquestes pertorbacions produeixen variacions de les propietats electròniques i òptiques quan es comparen amb els sistemes pristins. / César Dos Santos, MJ. (2021). Effects of symmetry breaking in low dimensional materials [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/176058 / Compendio

This thesis presents the investigation of magnetism in a selection of low-dimensional systems and its relation to other physical properties, such as superconductivity. The techniques employed are muon spin rotation and pulsed magnetic field magnetisation. The ability of muons to directly probe the local field is used to study SrFeAsF, which is a parent compound of the high-temperature superconducting pnictides. This revealed that the magnetic and structural transitions are separated in this system. I then demon- strate the coexistence of magnetism and superconductivity in NaFeAs for the first time. This discovery is of great interest since the interplay between magnetism and supercon- ductivity is thought to play an important role for high-temperature superconductivity. I further investigate the effect of partially replacing Fe with Co in NaFeAs. I study the ordering and spin reorientation in the Mott insulator Sr₂IrO₄, which has been suggested as a possible high-temperature superconductor. The complex magnetism observed in this system is contrasted to that in related iridates Ca₄IrO₆, Ca₅Ir₃O₁₂ and Sr₃Ir₂O₇. By combining pulsed-field magnetization and low magnetic field experiments with μSR on a series of coordination polymers. I am able to determine the size and direction of the magnetic exchange interaction. I demonstrate how it is possible to adjust the in- teractions by altering the molecular architecture of these Cu-based spin- 1 2 compounds. This is a significant contribution since it will lead to the targeted design of magnetic systems that can be utilized to experimentally test fundamental theories of magnetism.

Orientador: Guillermo Gerardo Cabrera Oyarzun / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Abstract: Quantum spin systems are caracterized by huge spaces of states, whose dimensions grow exponentially with the particles number. If following the preparation of the initial state, the system is kept isolated from external variables, it will develop a unitary time evolution according to Schrödinger equation or to Liouville equation. The system is driven exclusively by quantum uctuations, whose origin is the Uncertainty Principle. The evolution of a quantum state or a physical observable or mathematical nonobservable operator mean values may involve all states of the whole space of states, or big or small fractions of the total number of states. The analysis of the relaxation of a spin system from an arbitrary initial state to the equilibrium has to cope in general with the difficulty of requiring an extraordinarily great number of eigenstates and eigenvalues. In this work the main interest is centered on the evolution of magnetization¿s Fourier components in low dimensional systems of spins 1/2, whose interactions be given by the exchange modeled by Heisenberg Hamiltonians with axial anisotopy, XXZ. Exact solutions, analitic or numeric, are obtained. This is the continuation of work done in our research group which dealt with XY Hamiltonian families. In the analysis of the systems with the Hamiltonian XXZ, it was specially analysed the subspace defined by null total magnetization and the subspace defined by one spin wave, where chains up to 14 and 1200 were treated, respectively. There are emergence of fast and slow relaxation processes, which depend on the interations and on the initial state, and which result from destructive or constructive quantum interferences. Connections between the presence of those processes and the energy spectrum structure is discussed. Finally, the time evolution of some measures of global entanglement from initial states in the subspace of one spin wave are analised: the considered dynamics creates global entanglement until each entanglement measure reaches a saturation / Made available in DSpace on 2018-09-24T18:24:44Z (GMT). No. of bitstreams: 1 Carvalho_JulioGarcia_D.pdf: 5851086 bytes, checksum: fe9467d4e143df319d98e75ddb334401 (MD5) Previous issue date: 2006 / Resumo: Os sistemas quânticos de spin são caracterizados por espaços de estados muito grandes, cujas dimensões crescem exponencialmente com o número de partículas. Se após a preparação do estado inicial, o sistema for mantido isolado de variáveis externas, desenvolve-se uma evolução temporal unitária prescrita pela equação de Schrödinger ou pela equação de Liouville. O sistema é movido exclusivamente por flutuações quânticas, as quais têm sua origem no Princípio da Incerteza. A evolução de um estado quântico ou de valores médios de observáveis físicos ou de operadores matemáticos não observáveis pode envolver todos os estados do espaço de estados, ou frações grandes ou pequenas do número total de estados. A análise da relaxação de um sistema de spins desde um estado inicial arbitrário até o equilíbrio apresenta a dificuldade de requerer em geral um número extraordinariamente grande de auto-estados e autovalores. Neste trabalho o maior interesse está na evolução das componentes de Fourier da magnetização em sistemas de baixa dimensão espacial, com spins 1/2 e cujas interações sejam dadas pela troca modelada por Hamiltonianos de Heisenberg com anisotropia axial, XXZ. Serão obtidas soluções exatas: numéricas ou analíticas. A motivação proveio de trabalhos anteriores realizados no grupo de pesquisa referentes a famílias do Hamiltoniano XY. Ao se considerar o Hamiltoniano XXZ, analisou-se especialmente o subespaço definido por magnetização total nula e o subespa¸ co de uma onda de spin, onde trataram-se cadeias com até 14 e 1200 sítios, respectivamente. Há emergência de processos rápidos e lentos de relaxação, os quais dependem das interações e do estado inicial, e resultam de interferência quântica destrutiva ou construtiva. Serão discutidas conexões entre a presença desses processos e a estrutura do espectro de energia. Finalmente serão analisadas as evoluções temporais de algumas medidas de emaranhamento global, a partir de estados contidos no subespaço de uma onda de spin: a dinâmica considerada cria emaranhamento global até cada medida atingir uma saturação / Doutorado / Física da Matéria Condensada / Doutor em Ciências

Ce travail de thèse porte sur l'étude par la résonance paramagnétique électronique (RPE) des sels à transfert de charge quasi-unidimensionnels (TMTTF)$ {2}$X (X=AsF$ {6}$, PF$ {6}$, SbF$ {6}$), matériaux modèles de chaînes de spins quantiques. Tout d'abord, nous avons examiné en onde continue et sur une large gamme de température et de fréquence, la phase d'ordre de charge déjà observée dans ces matériaux en dessous de la température T$ {CO}$. Nous avons mis en évidence deux nouveaux phénomènes à T < T$ {CO}$: la rotation des axes principaux du facteur g et une modification structurale liée à un dédoublement de la maille cristallographique. Un calcul de chimie quantique a été réalisé à l'aide de la méthode DFT confirmant nos résultats expérimentaux. Dans la seconde partie de ces travaux de thèse, nous avons présenté les résultats obtenus par RPE en onde continue et en onde pulsée sur l'étude des défauts corrélés dans les systèmes à chaînes de spins. En onde continue, nous avons détecté pour la première fois une raie RPE fine à basse température, suggérant la présence de défauts corrélés ayant les caractéristiques de solitons. Les mesures par RPE pulsée nous ont permis d'observer les premières oscillations de Rabi de solitons piégés et de déterminer leur caractère robuste. Ces derniers résultats offrent une approche alternative aux qubits à base de spins pour le traitement de l’information quantique. / This thesis focuses on the study by Electron Paramagnetic Resonance (EPR) of the quasi-one-dimensional charge transfer salts (TMTTF)$ {2}$X (X=AsF$ {6}$, PF$ {6}$, SbF$ {6}$), model materials of quantum spin chains. First, we have examined in continuous wave and on a wide range of temperature and frequency, the charge-ordered phase already observed in these materials below the temperature T$ {CO}$. We have identified two new phenomena at T <T$ {CO}$: the rotation of the principal axes of the g factor and a structural change related to a doubling of the unit cell parameter. A quantum chemical calculation was carried out using DFT confirming our experimental results. In the second part of the thesis, we have presented the results obtained by EPR in continuous wave and pulsed wave on the correlated defects study in spin chain systems. In continuous wave, we have detected for the first time a narrow EPR line at low temperature, suggesting the presence of correlated defects having the characteristics of solitons. The pulsed EPR measurements allowed us to observe the first Rabi oscillations of trapped solitons and to determine their robust character. These latter results offer an alternative approach for spin qubits in quantum information processing.