This thesis discusses the two dimensional allotrope of carbon known as graphene in presence of magnetic field, with special focus on edge states. The structure of graphene is described in detail and from the structure, two models are formed. The Dirac equation is a good description of graphene for large samples, far away from edges, where the boundaries can be ignored. However, it causes problems with most types of edge and hard wall approximation has to be implemented. The Dirac equation is described in detail and used to obtain an energy spectrum, wavefunction and density of states for graphene edge in a strong magnetic field. For comparison, a Bohr-Sommerfield approximation was used to find the dispersion relation and compare it to the results obtained numerically from the Dirac equation. The second model, better fitting for nano-scale systems, is the tight binding model. This model was utilized to find Energy spectrum for graphene flakes in magnetic field, which resembles Hofstadter's butterfly spectrum. The spectrum was analyzed and periodic oscillations of magnetisation dependent on magnetic field (known as the de Haas-van Alphen effect) were described. The oscillation of magnetisation depends on the shape of the dot, even though the main properties remain the same: at low magnetic field, periodic oscillations due to Aharonov-Bohm effect, turning into more chaotic oscillations depending on the boundary conditions of the given quantum dot.

Since the discovery of the long-range ferromagnetic order in two-dimensional and multi-layered van der Waals crystals, and the observation of a nontrivial topology of the magnon bulk bands in the chromium trihalides, the bosonic honeycomb lattices have drawn significant attention within the condensed matter community. In this thesis, we employ a Heisenberg model with a Dzyaloshinsky-Moriya interaction in a honeycomb ferromagnetic lattice to study the properties of bulk and edge spin-wave excitations (magnon). By the Holstein-Primakoff transformations in the linear spin-wave approximation, the spin Hamiltonian is written as the bosonic equivalent of the Haldane model for spinless fermions. We present a simple bosonic tight binding formalism which allows us to obtain analytical solutions for the energy spectrum and wavefunctions. We investigate three basic boundaries in the honeycomb lattice: zigzag, bearded and armchair, and we derive analytical expressions for the energy band structure and wavefunctions for the bulk and edge states, and with both zero and nonzero Dzyaloshinsky-Moriya interaction. We find that in a lattice with a boundary, the intrinsic on-site interactions along the boundary sites generate an effective defect and this gives rise to Tamm-like edge states. If a nontrivial gap is induced, both Tamm-like and topologically protected edge states appear in the band structure. The effective defect can be strengthened by an external on-site potential, and the dispersion relation, velocity and magnon density of the edge states all become tunable. We also investigate the bond modulation in the bosonic Haldane model, where by introducing a Kekule bond modulation and with the analysis of the gap closing conditions and the bulk band inversions, we find a rich topological phase diagram for this system yet to be discovered. We identify four topological phases, verified by a numerical calculation of the Chern number, in terms of the Kekule modulation parameter and the Dzyaloshinsky-Moriya interaction. We present the bulk-edge correspondence for the magnons in a honeycomb lattice for both armchair and zigzag boundaries. We believed that our study in this thesis will be important for possible applications of magnons in data process devices such as magnonics.

We studied the edge states and their roles in conductivity and magnetism of graphene nanoribbions and flakes. we studied the Aharonov-Bohm effect in graphene nanodisks and rings. We described the quantum oscillations of the magnetization of graphene flakes. we have examined the snake-like states of transport electrons in the configurations of graphene ribbons with a domain wall in the centre.

<div>The quantum phase transitions and exotic excitations are exciting and important topics of nowadays condensed matter theory. Topologically protected excitations are of great interest for potential applications in quantum computing. This Thesis explores two examples of exotic topologically protected excitations, Majorana fermions and parafermions in hybrid superconductor/semiconductor systems.</div><div><br></div><div>In the first part of the thesis, after a brief review of ideas on Majorana zero modes in solid state systems obtained by researchers over the past decade, I present our study of the emergence of Majorana fermions in charge carrier holes doped quantum wires. Study of Majorana modes in this system requires understanding Luttinger holes in low dimensions, which is also crucial for numerous spin-dependent phenomena, emerging field of spintronics and nanotechnology. We find that hole-doped quantum wires that are proximity coupled to a conventional s-wave superconductor is a promising system for the observation of Majorana fermions. We advanced understanding of Luttinger holes in quantum wells and quantum wires. We have shown that the vast majority of earlier treatments of Luttinger holes ignored an important effect, a mutual transformation of heavy and light holes at the heteroboundaries. We have derived the effective hole Hamiltonians in the ground size-quantized sub-bands of quantum wells and quantum wires. The effect of mutual transformation of holes is crucial for understanding Zeeman and spin-orbit coupling, and results in several spin-orbit terms linear in momentum in hole-doped quantum wires. We discuss the criterion for realizing Majorana modes in charge carrier hole systems and show that GaAs or InSb hole wires shall exhibit stronger topological superconducting pairing, providing additional opportunities for its control compared to intensively studies InSb and InAs electron systems.</div><div><br></div><div>In the second part of the thesis, I first introduce the basic facts of the current theoretical understanding of the fractional quantum Hall effect and a theoretical model of parafermion excitations. Parafermion zero modes are promising for universal quantum computing. However, physical systems that are predicted to host these exotic excitations are rare and difficult to realize in experiments. I present our work on modeling domain walls on the boundary between gate-induced polarized and unpolarized domains of the fractional quantum Hall effect system near the spin transitions, and the emergence of the parafermion zero modes when such domain wall is proximity coupled to an s-wave superconductor. Exact diagonalization of the Hamiltonian in a disk and torus geometries proves formation of the counter-propagating edge states with different spin polarizations at the boundaries between areas of the electron liquid in polarized and unpolarized filling factor $\nu=2/3$ phases. By analytical and numerical methods we find the conditions for emergence of parafermion zero modes in hybrid fractional quantum Hall/s-wave superconductor system. The phase diagram indicates that the parafermionic phase, which is represented by the six-fold ground state degeneracy, is separated from other phases by a topological phase transition. Such parafermion modes are experimentally feasible. They present a vital step toward the realization of Fibonacci anyons that allow a full universal set of quantum operations with topologically protected quasiparticles.</div><div><br></div>

La thèse porte sur l'étude théorique des propriétés électroniques à la surface de l’oxyde de métal de transition SrTiO3. Ce matériau est la pierre angulaire de l'électronique des oxydes, un nouveau domaine de recherche qui a pour but d'enquêter sur les oxydes de métaux de transition en tant que candidats post-silicium pour une émergence future de nouveaux composants électroniques. Le SrTiO3 est en soi un système étonnant : dans sa plus pure composition chimique, c’est un bon isolant avec une large bande interdite. Cependant, en le dopant avec de petites quantités d'autres éléments, il se transforme en un métal à haute mobilité d'électrons. Le SrTiO3 a également saisi l'attention en raison de sa capacité à accueillir des gaz d'électrons bidimensionnels (2DEGs) quand il est interfacé avec certains oxydes polaires. Ces 2DEGs présentent des propriétés fascinantes, la plus visible étant la coexistence du magnétisme et de la supraconductivité.La surface du SrTiO3 peut également accueillir des 2DEGs, sans avoir besoin de s'interfacer avec d'autres matériaux ; dans ce cas, les électrons participant aux transports sont générés par des lacunes d'oxygène créées à la surface. Cette observation est remarquable, car le SrTiO3 offre une structure simple où les propriétés des 2DEGs peuvent être étudiées.Cette thèse s’articule autour des deux axes. Tout d'abord, elle étudie la bicouche STO orientée 111, formée de seulement deux cellules unitaires. Deuxièmement, elle analyse les puits quantiques générés par les postes vacants de l'oxygène à la surface 111 du STO. Les deux sujets sont abordés en utilisant des modèles de liaison forte, dans lesquels le Hamiltonien incorpore différents termes liés aux énergies sur place, aux interactions de saut et au couplage spin-orbite. A partir de ces calculs, j’ai réalisé une analyse exhaustive des propriétés, du caractère et de la parité des orbitaux des bandes de valence et de conduction, ainsi que des états de bord dans la bicouche 111. / The thesis is focused on the theoretical study of the electronic properties at the surface of the transition metal oxide STO. This material is the cornerstone of oxide electronics, an emerging research area that has the goal of investigating transition metal oxides as post-silicon candidates for a future emerging new electronics. STO is in itself an astounding system; in its purest chemical composition is a good ban-insulator with a wide bandgap. Nevertheless, upon doing it with tiny amounts of other elements it transforms itself in a metal with high electron mobility. Even more remarkably, at the lowest temperatures, typically below 300mK, it goes superconductor. And adding to these properties, strain induces also ferroelectricity in this material. Over the last years, STO has also grabbed attention because of its ability of hosting two-dimensional electron gas (2DEGs) when it is interfaced with some polar oxides. Such 2DEGs exhibit fascinating properties, the most conspicuous is the coexistence of magnetism and superconductivity.The surface of STO can host 2DEGs too, without need of interfacing it to other materials; in this case the electrons participating in transport are generated by oxygen vacancies created at the surface. This is remarkable observation, as it affords a simpler structure where the 2DEGs properties can be studied. In spite of the accumulated knowledge, still a better fundamental comprehension is required of the electronic structure of the quantum wells at the surfaces oriented along the 111 direction, for which the perovskite structure is reminiscent of the celebrated honeycomb-like structure of graphene. Contrary to the latter, in which electrons are in s- and p- states, 111 quantum wells in STO would host electrons in d-bands. Higher electronic correlations are then expected, that may bring new fascinating physics.The outline of this Thesis has two main branches: first, it studies the 111-oriented STO bilayer, formed by just two unit cells; secondly it analyzes the quantum wells generated by Oxygen vacancies at the 111-surface of STO. Both subjects are approached using tight-binding models in which the Hamiltonian incorporates different terms related to on-site energies, hopping interactions or spin-orbit coupling. From these calculations, I have carried out an exhaustive analysis of the orbital character and parity properties of valence and conduction bands, as well as edge states in the 111 bilayer. Tight-binding calculations have also shed light on the orbital character, space location and extension and energy of electronic states generated by oxygen vacancies at the 001 surface of STO.

Cette thèse est consacrée à l'amélioration de la cohérence dans le régime d'effet Hall quantique entier (EHQE) à facteur de remplissage ν=2, obtenu en appliquant un fort champ magnétique perpendiculairement au plan d'un gaz bidimensionnel d'électrons formé à l'interface d'une hétérostructure semiconductrice d'AlGaAs/GaAs. On obtient alors des conducteurs unidimensionnels chiraux (états de bord) permettant de réaliser l'équivalent électronique de l'interféromètre de Mach-Zehnder (IMZ), pour étudier la cohérence dans ce régime. L'observation inattendue d'une structure périodique en forme de lobes dans la visibilité des interférences en fonction de la tension appliquée en entrée suggère un rôle non négligeable des interactions.Dans un première partie nous expliquons l'émergence des états de bord dans le régime d'EHQE. Nous faisons ensuite l'état de l'art des connaissances concernant leur cohérence, puis nous présentons l'IMZ électronique du point de vue expérimental.Ensuite, nous détaillons les résultats expérimentaux, d'abord concernant la visibilité à tension finie: nos mesures confirment une prédiction théorique concernant un transition de phase quantique en fonction de la dilution de l'état de bord qui interfère ; nous ne voyons pas d'effet flagrant de la relaxation en énergie. Enfin, de précédents travaux(1) ayant identifié clairement l'état de bord voisin de celui qui interfère comme l'environnement limitant la cohérence du système, nous avons réalisé un nouveau type d'échantillon afin de diminuer le couplage à cet environnement de manière contrôlée. Nous avons ainsi augmenté la cohérence de moitié en accord quantitatif avec la théorie issue de précédents travaux(1).(1)P. Roulleau, F. Portier, P. Roche, A. Cavanna, G. Faini, U. Gennser, and D. Mailly. Noise Dephasing in Edge States of the Integer Quantum Hall Regime. Physical Review Letters, 101(18):186803–4, October 2008 / This PhD thesis is devoted to the engineering of quantum coherence in the integer quantum Hall effect regime (IQHE) at filling factor ν=2, obtained by applying a strong perpendicular magnetic field to a bidimensional electron gas formed at the interface of a GaAlAs/GaAs semiconducting heterostructure. Then unidimensional chiral conductors called edge states appear which can be used as electron beams to build the equivalent in condensed matter of a Mach-Zehnder interferometer (MZI) so as to study coherence in this regime. The unexpected periodic lobe structure of the visibility as function of the bias voltage suggests that interactions play an important role.In the first part, we explain how edge states emerge in the IQHE regime. We picture the state of the art on the edge states coherence. Then we present the MZI from the experimental point of view.Next we show our results, first concerning the visibility at finite bias: our measurements confirm a prediction about a quantum phase transition as function of the interfering edge state dilution. We don't see any significant manifestation of energy relaxation in the visibility. Finally, having identified the adjacent edge state as the noisy environment limitating coherence thanks to previous works, we have designed a new kind of sample to decrease the coupling of the system to this environment in a controlled manner. We thus decreased dephasing by half, in quantitative agreement with the theory developped previously in our group.

Cette thèse décrit la réalisation et l’étude de réseaux bidimensionnels de résonateurs supraconducteurs en nid d’abeille. Ce travail constitue un premier pas vers la simulation de systèmes de la matière condensée avec des circuits supraconducteurs. Ces réseaux sont micro-fabriqués et sont constitués de plusieurs centaines de sites. Afin d’observer les modes propres qui y apparaissent dans une gamme de fréquence entre 4 et 8 GHz, nous avons mis au point une technique d’imagerie. Celle-ci utilise la dissipation locale créée par un laser avec lequel nous pouvons adresser chaque site du réseau. Nous avons ainsi pu mesurer la structure de bande et caractériser les états de bord de nos réseaux. En particulier, nous avons observé les états localisés qui apparaissent à l'interface entre deux isolants de Semenoff ayant des masses opposées. Ces états, dits de Semenoff, sont d'origine topologique. Nos observations sont en excellent accord avec des simulations électromagnétiques ab initio. / This thesis describes the realization and study of honeycomb lattices of superconducting resonators. This work is a first step towards the simulation of condensed matter systems with superconducting circuits. Our lattices are micro-fabricated and typically contains a few hundred sites. In order to observe the eigen-modes that appear between 4 and 8 GHz, we have developed a mode imaging technique based on the local dissipation introduced by a laser spot that we can move across the lattice. We have been able to measure the band structure and to characterize the edge states of our lattices. In particular, we observe localized states that appear at the interface between two Semenoff insulators with opposite masses. These states, called Semenoff states, have a topological origin. Our observations are in good agreement with ab initio electromagnetic simulations.

Semilocal density functionals up to the generalized gradient approximation (GGA) level cannot accurately describe band gaps of bulk solids. Meta-GGA density functionals with a dependence on the kinetic energy density ingredient (τ) can potentially give wider band gaps compared with GGAs. The recently developed TASK meta-GGA functional yields excellent band gaps of bulk solids. The accuracy of the TASK functional for band gaps of bulk solids cannot be straightforwardly transferred to low-dimensional materials due to reduced screening in low-dimensional materials. We have developed mTASK from TASK by changing (a) the tight upper-bound for one or two-electron systems (h0X) from 1.174 to 1.29 and (b) the limit of the interpolation function fX(α → ∞) of the TASK functional that interpolates the exchange enhancement factor FX(s,α) from α = 0 to 1, so that mTASK has the screening appropriate for low-dimensional materials. These two conditions guarantee the increased nonlocality within the generalized Kohn-Sham scheme in the mTASK functional and yield a better description of band gaps of low-dimensional materials. We computed the band gaps of bulk solids from mTASK having a wide range of gaps such as Ge, CdO, ZnS, MgO, NiF, Ar. The improvement in the band gaps from mTASK is more consistent than TASK for the large-gaps crystals. We have studied the band structures in two forms of transition metal dichalcogenide (TMD) monolayers, i.e., monolayer hexagonal (1H) and monolayer trigonal (1T) and their nanoribbons. The mTASK functional systematically improves the band gaps and is in close agreement with the experiments or the hybrid level HSE06 density functional for 2D single-layer and nanoribbon systems. In the second part of this assessment, we explore the large tunability of band gaps and optical absorption of phosphorene nanoribbons under mechanical bending from first-principles. Bending can induce an unoccupied edge state in armchair phosphorene nanoribbons. The electronic and optical properties of nanoribbons drastically change because of this edge state. GW-Bethe–Salpeter equation calculations for armchair phosphorene nanoribbons at different bending curvatures show that the absorption peaks generally shift toward the high energy direction with increasing curvature. Our study suggests that bright excitons can also be formed from the transition from the valence bands to the edge state when the edge state completely separates out from the continuum conduction bands. We systematically study the role of the edge state to form bound excitons at large curvatures. Our analysis suggests that the optical absorption peaks of zigzag phosphorene nanoribbons shift toward the low-energy region, and the height of the absorption peaks increases while increasingthe bending curvature. In the third part of this assessment, we extend our study of phosphorene nanoribbons to MoS2 nanoribbons under bending from GW and Bethe-Salpeter equation approaches. We find three critical bending curvatures for armchair MoS2 nanoribbons, and the edge and non-edge band gaps show a non-monotonic trend with bending. The edge band gap shows an oscillating feature with ribbon width n, with a period of ∆n=3. The binding energy and the lowest exciton energy decrease with the curvature. The large tunability of optical properties of bent MoS2 nanoribbon is applicable in tunable optoelectronic nanodevices. / Physics

One of the main features of topological phases is the presence of robust boundary states that are protected by a topological invariant. Famous examples of such states are the chiral edge states of a Chern insulator, the helical edge states of a two-dimensional Z2 insulator, and the Fermi arcs of Weyl semimetals. Despite their omnipresence, these topological boundary states can typically only be theoretically investigated through numerical studies due to the lack of analytical solutions for their wave functions. In the rare cases that wave-function solutions are available, they only exist for simple fine-tuned systems or for semi-infinite systems. Exact solutions are, however, common in the field of flat bands physics, where they lead to an understanding of the bulk bands rather than the boundary physics. It is well known that fully-periodic lattices with a frustrated geometry host localized modes that have a constant energy throughout the Brillouin zone. These localized modes appear due to a mechanism referred to as destructive interference, which leads to the disappearance of the wave-function amplitude on certain lattice sites. Making use of this mechanism, it is shown in this licentiate thesis that exact wave-function solutions can also be found on d-dimensional geometrically frustrated lattices that feature (d − 1)-dimensional boundaries. These exact solutions localize to the boundaries when the frustrated lattice hosts a topological phase and correspond to the robust, topological boundary states. This licentiate thesis revolves around the publication, which describes the method to finding these exact, analytical solutions for the topological boundary states on geometrically frustrated lattices, which was authored by the author of this licentiate thesis together with Maximilian Trescher and Emil J. Bergholtz and published in Physical Review B on August 30, 2017 with the title Anatomy of topological surface states: Exact solutions from destructive interference on frustrated lattices. An introduction is given on topological phases in condensed matter systems focussing on those models of which explicit examples are given in the paper: two-dimensional Chern insulators and three-dimensional Weyl semimetals. Moreover, by making use of the kagome lattice as an example the appearance of localized and semi-localized modes on geometrically frustrated lattices is elaborated upon. The chapters in this licentiate thesis thus endeavor to provide the reader with the proper background to comfortably read, understand, place into context and judge the relevance of the work in the accompanying publication. The licentiate thesis finishes with an outlook where it is discussed that the method presented in the paper can be generalized to an even larger class of lattices and can also be applied to find exact solutions for higher-order topological phases such as corner and hinge states.

The focus of this thesis is on the numerical study of subcritical transition to turbulence in the asymptotic suction boundary layer (ASBL). Applying constant homogeneous suction prevents the spatial growth of the boundary layer, granting access to the asymptotic dynamics. This enables research approaches which are not feasible in the spatially growing case. In a first part, the laminar–turbulent separatrix of the ASBL is investigated numerically by means of an edge-tracking algorithm. The consideration of spanwise-extended domains allows for the robust localisation of the attracting flow structures on this separatrix. The active part of the identified edge states consists of a pair of low- and high-speed streaks, which experience calm phases followed by high energy bursts. During these bursts the structure is destroyed and re-created with a shift in the spanwise direction. Depending on the streamwise extent of the domain, these shifts are either regular in direction and distance, and periodic in time, or irregular in space and erratic in time. In all cases, the same clear regeneration mechanism of streaks and vor- tices is identified, bearing strong similarities with the classical self-sustaining cycle in near-wall turbulence. Bifurcations from periodic to chaotic regimes are studied by varying the streamwise length of the (periodic) domain. The resulting bifurcation diagram contains a number of phenomena, e.g. multistability, intermittency and period doubling, usually investigated in the context of low-dimensional systems. The second part is concerned with spatio–temporal aspects of turbulent ASBL in large domains near the onset of sustained turbulence. Adiabatically decreasing the Reynolds number, starting from a fully turbulent state, we study low-Re turbulence and events leading to laminarisation. Furthermore, a robust quantitative estimate for the lowest Reynolds number at which turbulence is sustained is obtained at Re <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Capprox" /> 270. / <p>QC 20140213</p>