Orientador: Wei-Liang Qian / Resumo: Uma característica vital da cromodinâmica quântica (QCD) está relacionada à simetria quiral. Isso é particularmente intrigante devido ao papel crítico da simetria quiral não abeliana dos spinores de Lorentz na física teórica moderna. Muitos esforços teóricos foram dedicados à sua quebra espontânea no vácuo, bem como a restauração da mesma no ambiente extremamente quente ou denso. Além disso, quarks e glúons tornam-se os graus de liberdade relevantes por meio da transição de desconfinamento do estado dos hádrons. O significado desta última está intimamente ligado às implicações da equação de Callan-Symanzik e à teoria do grupo renormalizado. No entanto, em princípio, ambas as transições acima podem ser descritas pela QCD. Os estudos da QCD na rede demonstraram que a transição do sistema é um cruzamento suave com a densidade bariônica nula e a massa de quarks estranhos grandes. No potencial químico finito, por outro lado, uma variedade de modelos prevê a ocorrência de uma transição de fase de primeira ordem entre a fase hadrônica e o plasma de quarks e glúons (QGP). Esses resultados indicam que um ponto crítico (CEP) pode estar localizado em algum lugar no diagrama de fases da QCD no qual a linha de transições de fase de primeira ordem termina. Espera-se que a transição seja de segunda ordem neste caso. De fato, entre outros objetivos estabelecidos, o programa Beam Energy Scan (BES) em andamento no Relativistic Heavy Ion Collider (RHIC) é impulsionado pela busca do CEP. Nesta t... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: One vital characteristic of the quantum chromodynamics (QCD) is regarding the chiral symmetry. This is particularly intriguing owing to the critical role of non-abelian gauge symmetry of Lorentz spinors in modern theoretical physics. Many theoretical efforts have been devoted concerning its spontaneously breaking in the vacuum, as well as the restoration at the extremely hot or dense environment. Furthermore, quarks and gluons become the relevant degrees of freedom through the deconfinement transition from the hadron state of matter. The significance of the latter is closely connected to the implications of the Callan-Symanzik equation and the theory of the renormalized group. Nonetheless, in principle, both of the above transitions can be described by the QCD. Lattice QCD studies demonstrated that the transition of the system is a smooth crossover at vanishing baryon density and large strange quark mass. At finite chemical potential, on the other hand, a variety of models predict the occurrence of a first-order transition between the hadronic phase and quark-gluon plasma (QGP). These results indicate that a critical endpoint (CEP) might be located somewhere on the QCD phase diagram at which the line of first-order phase transitions terminates. The transition is expected to be of second-order at this point. As a matter of fact, among other established goals, the ongoing Beam Energy Scan (BES) program at the Relativistic Heavy Ion Collider (RHIC) is driven by the search for th... (Complete abstract click electronic access below) / Doutor

Cette thèse est consacrée à l’étude de certains problèmes variationnels de type transition de phase vectorielle ou "phase-field" qui font intervenir une contrainte de divergence. Ces modèles sont généralement basés sur une énergie dépendant d’un paramètre qui peut représenter une grandeur physique négligeable ou qui est liée à une méthode d’approximation numérique par exemple. Une question centrale concerne alors le comportement asymptotique de ces énergies et des minimiseurs globaux ou locaux lorsque ce paramètre tend vers 0. Cette thèse présente différentes stratégies prenant en compte la contrainte de divergence. Elles seront illustrées à travers l’étude de deux modèles. Le premier est une approximation du modèle Eulérien pour le transport branché par un modèle de type phase-field avec divergence prescrite. Nous montrons comment une estimation uniforme de l’énergie, en fonction de la contrainte sur la divergence, permet d’établir un résultat de Gamma-convergence. Le second modèle, en lien avec la théorie du micromagnétisme, concerne des énergies de type Aviles-Giga dans un cadre vectoriel avec contrainte de divergence. Nous illustrerons dans quelle mesure la méthode d’entropie permet de caractériser les minimiseurs globaux. Dans certaines situations nous montrerons une conjecture de type De Giorgi concernant la symétrie 1D des minimiseurs globaux de l’énergie sous une contrainte au bord. / This thesis is devoted to the study of phase-field type variational models with divergence constraint. These models typically involve an energy depending on a parameter which represents a negligible physical quantity or is linked to some numerical approximation method for instance. A central question concerns the asymptotic behavior of these energies and of their global or local minimizers when this parameter goes to 0. We present different strategies which allow to take the divergence constraint into account. They will be illustrated in two models. The first one is a phase-field type approximation, involving a divergence constraint, of the Eulerian model for branched transportation. We illustrate how uniform estimates on the energy, depending on the constraint on the divergence, allow to establish a Gamma-convergence result. The second model, related to micromagnetics, concerns Aviles-Giga type energies for divergence-free vector fields. We use the entropy method in order to characterize global minimizers. In some situations, we will prove a De Giorgi type conjecture concerning the one-dimensional symmetry of global minimizers under boundary conditions.

L'objet de cette thèse est d’étudier l'existence de solution pour une classe de systèmes d'évolution fortement couplés, ainsi que la limite singulière d'une équation aux dérivées partielles d'advection-réaction-diffusion.Au chapitre 1, nous d écrivons brièvement la dérivation d'un modèle d'intrusion saline pour des aquifères confinés et non confinés. Dans ce but nous nous appuyons sur la loi de Darcy et la loi de conservation de masse en négligeant l'effet de la dimension verticale.Au chapitre 2, nous considérons un système qui généralise le modèle d'intrusion saline dans des aquifères non confinés. C'est un système non linéaire parabolique dégénéré fortement couplé. Après avoir discrétisé en temps, gelé et tronqué des coefficients et finalement régularisé les équations, nous appliquons le théorème de Lax-Milgram pour prouver l'existence et l'unicité de la solution d'un problème linéaire associé. Nous appliquons ensuite un théorème du point fixe pour démontrer l'existence d'une solution du problème non linéaire approché. Nous obtenons de plus une estimation d'entropie, qui permet en particulier de démontrer la positivité de la solution. Finalement, nous passons à la limite dans le système et dans l'entropie pour prouver l'existence de solution pour le problème initial.Au chapitre 3, nous montrons l'existence de solution pour un système qui contient en particulier le modèle d'intrusion saline dans des aquifères confinés. Ce système est semblable au système du chapitre 2, mais la pression intervient comme inconnue supplémentaire. Il se rajoute la contrainte que la somme des hauteurs inconnues est une fonction donnée et la pression est en fait un multiplicateur de Lagrange associé à cette contrainte. Nous obtenons de nouveau une inégalité d'entropie et nous effectuons également une estimation sur le gradient de la pression.Au chapitre 4, nous nous intéressons à la description d'interfaces abruptes qui se déplacent selon un mouvement donné, par exemple le mouvement par courbure moyenne. Des singularités peuvent apparaître en temps fini ce qui explique la nécessité de définir une nouvelle notion de surface. Dans ce chapitre, on introduit la notion de "varifolds", ou surfaces généralisées, qui étendent la notion de "manifolds". A ces varifolds on associe une courbure moyenne généralisée ainsi qu'une vitesse normale généralisée.Au chapitre 5, nous considérons une équation d'advection-réaction-diffusion qui intervient dans un système de chimiotaxie-croissance proposé par Mimura et Tsujikawa. L'inconnue est la densité de population qui est soumise aux effets de diffusion et de croissance et qui a tendance à migrer vers des forts gradients de la substance chimiotactique. Quand un petit paramètre tend vers zéro, la solution converge vers une fonction étagée ; l'interface diffuse associée converge vers une interface abrupte qui se déplace selon un mouvement par courbure moyenne perturbé. Nous représentons ces interfaces par des varifolds définis à partir de la fonctionnelle de Lyapunov du problème d'Allen-Cahn. Nous établissons une formule de monotonie et nous montrons une propriété d'équipartition de l'énergie. Nous prouvons de plus que le varifold est rectifiable et que la fonction de multiplicité associée est presque partout entière. / The aim of this thesis is to study the existence of a solution for a class of evolution systems which are strongly coupled, as well as the singular limit of an advection-reaction-diffusion equation.In chapter 1, we describe briefly the derivation of a seawater intrusion model in confined and unconfined aquifers. For this purpose we combine Darcy's law with a mass conservation law and we neglect the effect of the vertical dimension.In chapter 2, we consider a system that generalizes the seawater intrusion model in unconfined aquifers. It is a strongly coupled nonlinear degenerate parabolic system. After discretizing in time, freezing and truncating the coefficients and finally regularizing the equations we apply Lax-Milgram theorem to prove the existence of a unique solution for the elliptic linear associated system. Then we apply a fixed point theorem to prove the existence of a solution for the nonlinear approximated problem. We obtain in addition an entropy estimate, which allows us in particular to prove the positivity of the solution. Finally, we pass to the limit in the system and the entropy in order to prove the existence of a solution for the initial problem.In chapter 3, we prove the existence of a solution for a system that contains in particular the seawater intrusion model in confined aquifers. This system is very similar to that introduced in chapter 2, only the pressure is a new unknown and we have the constraint that the sum of the unknown heights is a given function. The pressure is the Lagrange multiplier associated to the constraint. We obtain again an entropy estimate and we establish an estimate on the gradient of the pressure.In chapter 4, we are interested in the study of sharp interfaces that moves by a certain flow, by mean curvature flow for example. Singularities may occur in finite time which explains the necessity of having a differnet notion of surfaces. In this chapter, we introduce the notion of "varifolds" or generalized surfaces that extend the notion of manifolds. To these varifolds we associate a generalized mean curvature and a generalized normal velocity.In chapter 5, we consider an advection-reaction-diffusion equation arising from a chemotaxis-growth system proposed by Mimura and Tsujikawa. The unknown is the population density which is subjected to the effects of diffusion, of growth and to the tendency of migrating toward higher gradients of the chemotactic substance. When a small parameter tends to zero, the solution converges to a step function; the associated diffuse interface converges to a sharp interface which moves by perturbed mean curvature. We represent these interfaces by varifolds defined by the Lyapunov functional of the Allen-Cahn problem. We establish a monotonicity formula and we prove a property of equipartition of energy. We prove also the rectability of the varifold and that the multiplicity function is almost everywhere integer.

No description available.

In dieser Dissertation wird das Skalenverhalten derÜbergangstemperatur von Systemen an diskontinuierlichen Phasenübergängen aus einem Zwei- Zustands-Modell abgeleitet und erweitert. Es wird erläutert, wie sich das Skalenverhalten für periodische Randbedingungen drastisch verändern kann, sobald der Entartungsgrad der geordneten Phasen von der Teilchenzahl abhängt. Eswerden Modellsysteme in zwei und drei Dimensionen betrachtet, deren Zustandssummen mittels analytischer, kombinatorischer Argumente berechnet werden. Für das kompliziertere, isotrope Plaquettemodell in drei Dimensionen können durch diese Rechnungen Ordnungsparameter definiert werden. Diese werden, zusammen mit dem veränderten Skalenverhalten selbskonsistent durch anspruchsvolle und hochpräzise, sogenannte multikanonische Monte-Carlo Simulationen überprüft und bestätigt.

<div>We propose an order parameter theory of the quantum Hall nematic in high fractional Landau levels in terms of an Ising description. This new model solves a couple of extant problems in the literature: (1) The low-temperature behavior of the measured resistivity anisotropy is captured better by our model than previous theoretical treatments based on the electron nematic having XY symmetry. (2) Our model allows for the development of true long-range order at low temperature, consistent with the observation of anisotropic low-temperature transport.<br></div><div><div> We furthermore propose new experimental tests based on hysteresis that can distinguish whether any two-dimensional electron nematic is in the XY universality class (as previously proposed in high fractional Landau levels), or in the Ising universality class (as we propose). Given the growing interest in electron nematics in many materials, we expect our proposed test of universality class to be of broad interest.</div><div> </div><div> Whereas the XY model in two dimensions does not have a long-range ordered phase, the addition of uniaxial random field disorder induces a long-range ordered phase in which the spontaneous magnetization points perpendicular to the random field direction, via an order-by-disorder transition. We have shown that this spontaneous magnetization is robust against a rotating driving field, up to a critical driving field amplitude. Thus we have found evidence for a new non-equilibrium phase transition that was unknown before in this model. Moreover, we have discovered an incredible anomaly at this nonequilibrium phase transition: the critical region is accompanied by a cascade of period multiplication events. This physics is reminiscent of the period bifurcation cascade signaling the transition to chaos in nonlinear systems, and of the approach to the irreversibility transition in models of yield in amorphous solids~\cite{reichhardt-dahmen,leishangthem_yielding_2017}. This period multiplication cascade is surprising to be present in a statistical mechanics model, and suggests that the non-equilibrium transition as a function of driving field amplitude is part of a larger class of transitions in dynamical systems.</div><div> Moreover, we show that this multi-period behavior represents a new emergent classical discrete time-crystal, since the new period is robust against changes to initial conditions and low-temperature fluctuations over hundreds of driving period cycles.</div><div><br></div><div> We expect this work to be of broad interest, further encouraging cross-fertilization between the rapidly growing field of time-crystals with the well-established fields of nonequilibrium phase transitions and dynamical systems.</div><div> </div><div> Geometrical configurations gave us a better understanding of the multi-period behavior of the limit-cycles.</div><div> Moreover, surface probes are continually evolving and generating vast amounts of spatially resolved data of quantum materials, which reveal a lot of detail about the microscopic and macroscopic properties of the system. <br></div><div> Materials undergoing a transition between two distinct states, phase separate.</div><div> These phase-separated regions form intricate patterns on the observable surface, which can encode model-specific information, including interaction, dimensionality, and disorder. </div><div> While there are rigorous methods for understanding these patterns, they turn out to be time-consuming as well as requiring expertise. </div><div> We show that a well-tuned machine learning framework can decipher this information with minimal effort from the user.</div><div> We expect this to be widely used by the scientific community to fast-track comprehension of the underlying physics in these materials.</div><div><br></div></div>

Dans ce mémoire, il sera question des propriétés de deux composés appartenant à la famille avec la composition AkLn2O4 (où Ak sont des métaux alcalino-terreux et Ln des lanthanides). Certains membres de cette famille ont démontré des comportements associés à une chaîne monodimensionnelle zigzag incluant des interactions au deuxième plus proche voisin (ANNNI, acronyme de l’anglais anisotropic next-nearest neighbours Ising model). En particulier, une étude de diffusion neutronique en champ sur le SrHo2O4 a montré des plateaux dans l’intensité du pic (200). Si on identifie l’intensité avec l’aimantation au carré, ceci indiquerait la présence d’un plateau dans l’aimantation et peut-être la présence d’une phase magnétique. En conséquence, des mesures de chaleur spécifique et d’aimantation ont été prises pour chercher cette transition de phase. Les mesures de chaleur spécifique et d’aimantation en fonction du champ magnétique appliqué parallèle à l’axe b montrent qu’il y a des phases induites en champ dans ce composé. En particulier, l’aimantation montre la formation de plateaux suggérant une phase robuste à l’augmentation du champ magnétique pour un intervalle de température de T = 0:6 K à 1.3 K. Les champs critiques déterminés à partir des mesures de chaleur spécifique et d’aimantation sont comparés à l’aide d’un diagramme de phase. Les champs critiques des données de diffraction de neutrons précédemment obtenus par [1] sont aussi comparés. Cependant, ces résultats ne montrent pas encore avec certitude où se trouvent les limites de phase. Comme l’état fondamental magnétique dépend du niveau du champ cristallin électrique (CEF, acronyme de l’anglais crystalline electric field), changer l’ion Sr2+ pour un plus grand ion Ba2+ va changer la structure cristalline et donc le CEF. De plus, le moment magnétique J du Ce3+ est 5=2 qui est plus petit que celui du Ho3+ (J = 8) ou du Dy3+ (J = 15=2), deux ions qui ont beaucoup été étudiés dans les composés SrLn2O4 et BaLn2O4. Un moment magnétique plus petit devrait rendre le système plus quantique et ainsi obtenir une chaîne de iii spin quantique. Nous avons donc essayé de synthétiser le BaCe2O4 et d’étudier ses propriétés. L’étude de chaleur spécifique et de l’entropie à champ nul de l’aimant frustré BaCe2O4 est présentée. Ces mesures ont été faites sur des monocristaux synthétisés par la méthode de flux métallique. Les résultats de la chaleur spécifique ont démontré une transition de phase à un ordre magnétique à longue portée à la température de T = 0:43 K. L’entropie magnétique a été calculée à partir des résultats de la chaleur spécifique dans l’intervalle de température T = 0 K à 5 K. L’entropie magnétique dans cet intervalle de température a été trouvée à être en dessous de celle correspondant à l’état doublet des champs cristallins. Les résultats de la chaleur spécifique et de l’entropie indiquent la présence de frustration géométrique dans le composé BaCe2O4. / The focus of this master’s thesis is on the properties of two members of the family with the general composition AkLn2O4 (where Ak are alkaline earth metals and Ln are lanthanides). Some members of this family showed behaviours associated with a one-dimensional zigzag chain with next-nearest neighbors interactions (ANNNI model). In particular, an in-field neutron diffraction study of SrHo2O4 showed plateaus in the intensity of the peak (200). If we identify the intensity as the square of the magnetization, this would indicate the presence of a plateau in the magnetization and perhaps the presence of a magnetic phase which was not previously observed. Thus, specific heat and magnetization measurements were carried out to search for this phase transition. Measurements of the field dependent specific heat and magnetization with a field applied parallel to the b-axis showed the presence of field induced phase transitions in this compound. In particular, the magnetization shows the formation of plateaus suggesting a phase robust to the increase of the magnetic field for the temperature interval T = 0:6 K to 1.3 K. The critical fields determined from the specific heat and magnetization are compared using a phase diagram. The critical fields from neutron diffraction previously obtained by [1] are also compared. However, the results do not yet show clearly where the phase boundaries are. Since the magnetic ground state depends on the crystalline electric field (CEF), changing the Sr2+ ion for the bigger Ba2+ ion will change the crystal structure and thus the CEF levels. Furthermore, the magnetic moment J of Ce3+ is 5=2 which is smaller then that of Ho3+ (J = 8) or of Dy3+ (J = 15=2), two ions that have been extensively studied in the SrLn2O4 and the BaLn2O4 series. A smaller magnetic moment should result in a more quantum mechanical system and the hope is to obtain a quantum spin chain. We thus tried to synthesize BaCe2O4 and study its properties. To this end, a study of the heat capacity and entropy at zero field of the frustrated magnet BaCe2O4 will be presented. The measurements v were taken on single crystals grown from a metallic flux method. The results from the specific heat show a phase transition to a long range magnetic order at a temperature of T = 0:43 K. The magnetic entropy was calculated from the results of specific heat in the temperature range from T = 0 K to 5 K. In this range of temperature, the magnetic entropy was found to be below the value expected for a crystalline electric field doublet as the ground state. The results from the specific heat and the entropy indicate the presence of geometrical frustration in the compound BaCe2O4.

Among the well-known methods to form or modify the composition and physical properties of thin films, ion implantation has shown to be a very powerful technique. In particular, ion beam syntheses of binary iron silicide have been studied by several groups. Further, the interests in transition metal silicide systems are triggered by their potential use in advanced silicon based opto-electronic devices. In addition, ternary silicides have been by far less studied than their binary counterparts despite the fact that they have interesting magnetic and electronic properties. In this study, we investigate ion beam synthesis of Fe-Si binary structures and Fe-Co-Si ternary structures. This work involves fundamental investigation into development of a scalable synthesis process involving binary and ternary transitional metal silicide thin films and Nano-structures using low energy ion beams. Binary structures were synthesized by implanting Fe- at 50 keV energy. Since ion implantation is a dynamic process, Dynamic simulation techniques were used in these studies to determine saturation fluences for ion implantation. Also, static and dynamic simulation results were compared with experimental results. The outcome of simulations and experimental results indicate, dynamic simulation codes are more suitable than static version of the TRIM to simulate high fluence, low energy and, heavy ion implantation processes. Furthermore, binary Fe-Si phase distribution was determined at different implantation fluences and annealing temperatures. A higher fluence implantation at 2.16×1017 atoms/cm2 and annealing at 500 oC showed three different Fe-Si phase formations (β-FeSi2, FeSi and Fe3Si) in substrate. Further, annealing the samples at 800 oC for 60 minutes converted the Fe3Si phase into FeSi2 and FeSi phases. As an extension, a second set of Fe- ion implantations was carried with the same parameters while the substrate was placed under an external magnetic field. External magnetic fields stimulate the formation of magnetic phase centers in the substrate. X-ray diffraction (XRD) results shows formation of ferromagnetic Fe3Si phase in the Si matrix after annealing at 500 oC for 60 minutes. In addition, X-ray photoelectron spectra (XPS) provide further evidence for ferromagnetic metallic behavior of Fe3Si in the substrate. Ternary Fe-Co-Si structures were synthesized by implanting Fe- & Co- into a Si (100) substrate at an energy of 50 keV at saturation fluences. Both Fe- & Co- co-implantation were performed under external magnetic fields to enhance magnetic phase formation. Fe(1-x)CoxSi B20-type cubic structure can be synthesized on Si(100) substrate with 0.4≤x≤0.55 concentration range using ion implantation under external magnetic field. Moreover, magnetic measurement indicates a possible magnetic phase transformation at ~50 K. Further, XPS results also provide evidence for metallic & ferromagnetic properties in the thin film structure

This thesis is devoted to an experimental study of dielectric properties of incipient fer- roelectrics. The terahertz time-domain spectroscopy was used to investigate the complex permittivity spectra in both single crystals and various strained thin film structures versus temperature and applied electric bias. Namely, it allowed characterizing the ferroelectric soft-mode dynamics and its coupling to a central mode. An electric-field tunability of bulk single crystals of SrTiO3 was determined up to room temperature for the first time. The phenomenon is governed by soft-mode stiffening under applied field. As an application we proposed and characterized a tunable one-dimensional photonic structure with a thin SrTiO3 plate inserted as a defect layer. The importance of the soft-mode dynamics was stressed also in the study of bulk high density KTaO3 ceramics. A systematic study was performed of a KTaO3 thin film and especially of a set of strained multilayers consisting of SrTiO3/DyScO3 bilayers grown on DyScO3 substrate. Strain-induced ferroelectric transition was observed in these films governed by the soft mode coupled to a lower-frequency relaxation. A general model was developed describing the whole family of the studied samples. Effect of the composition stoichiometry of SrTiO3 films grown on DyScO3 was...

Ferromagnetism in certain alloys with a crystalline B2-structure, such as Fe60Al40, can be switched on, and tuned, via antisite disordering of the atomic arrangement. This disorderinduced B2→A2 phase transition is accompanied by a ∼1% increase in the lattice parameter. The induced ferromagnetism can be switched off as well via atomic rearrangements causing the A2→B2 transition. In this thesis, the B2↔A2 phase transition will be manipulated by ion- as well as laser-irradiation. Ion-irradiation allows for a sensitive control of the degree of antisite disorder and thus can be applied to understand the correlation between gradual disorder and magnetic properties in the Fe60Al40 alloy. The reversibility of the laser-driven B2↔A2 transition will be shown in this work. B2-Fe60Al40 thin films have been disordered systematically by ion-irradiation and correlations between the chemical disorder (1-S), lattice parameter (a0), and the induced saturation magnetization (Ms) have been obtained. As the lattice is gradually disordered,a critical point occurs at 1-S=0.6 and a0=2.91Å, where a sharp increase of the Ms is observed. The regimes below and above the critical regime are characterized by a different, but nearly stable Ms behaving paramagnetic and ferromagnetic, respectively. Density functional theory (DFT) calculations suggest that below the critical point the system magnetically behaves as it would still be fully ordered, i.e. paramagnetic, whereas above, it is largely the increase of a0 in the disordered state that determines the Ms. Furthermore, disordered thin films possessing various open-volume defect types have been ordered via thermal annealing. The A2→B2 ordering process occurs by the vacancy diffusion mechanism and the ordering rate shows a strong dependence on the defect types, as obtained from ab-initio DFT calculations: The ordering rate is increased by mono-vacancies and decreased by triple defects and vacancy clusters. The defects can be engineered by a thermal pre-annealing and/or ion-irradiation offering a control of the subsequent ordering process. Additionally, the reversible disordering and subsequent reordering implying an on and off switching of ferromagnetism, respectively, is demonstrated by applying femtosecond laser pulse irradiation. The irradiation with a single laser pulse above the threshold fluence induces chemical disorder and hence ferromagnetism. A subsequent laser-irradiation below the threshold ŕuence causes a reordering at the surface erasing the ferromagnetism. The laser-irradiation leads to a melting and subsequent solidification of the material; if the solidification temperature is lower than the melting temperature, the liquid is supercooled. Simulations reveal the crucial role of the extent of supercooling: A single laser pulse above the threshold fluence causes a strong undercooling of the liquid phase before solidification limiting the vacancy diffusion and hence ordering. Laser pulsing below the threshold forms a limited supercooled surface region that solidifies at sufficiently high temperatures, enabling vacancy diffusion-assisted reordering.:1 Introduction and Fundamentals 1.1 Magnetism and Structure in Chemically Ordered Materials 1.1.1 Effects Induced by Chemical Disorder 1.1.2 Properties of Fe-Al Alloys 1.2 Modiőcation of B2 Materials 1.2.1 Interaction of Ions with Solids 1.2.2 Laser-Solid Interaction 1.3 Motivation 2 Experimental and Theoretical Methods 2.1 Sample Preparation 2.1.1 Magnetron Sputtering 2.1.2 Annealing Process 2.1.3 Ion-Irradiation 2.1.4 Laser-Irradiation 2.2 Structural Characterization 2.2.1 X-Ray Diffraction 2.2.2 Rutherford Backscattering Spectrometry 2.2.3 Transmission Electron Microscopy 2.3 Magnetic Characterization 2.3.1 Vibrating Sample Magnetometry 2.3.2 Spin-Resolved Photoemission Electron Microscopy 2.4 Defect Analysis by Positron Annihilation Spectroscopy 2.5 Theoretical Approaches 2.5.1 DFT Calculations on the Properties of Fe60Al40 2.5.2 Ab-initio Calculations of Positron Lifetimes in Fe60Al40 2.5.3 Simulations on the Laser-Irradiation of Fe60Al40 3 Unraveling Magneto-Structural Correlations 3.1 Characterization of Ordered B2 and Disordered A2 Films 3.1.1 Experiments 3.1.2 Structural Properties 3.1.3 Magnetic Properties 3.1.4 Summarizing Remarks 3.2 Systematic Disordering by Ion-Irradiation 3.2.1 Experiments 3.2.2 Structural Characterization 3.2.3 Analysis of Magnetic Properties 3.2.4 Correlation of Structural and Magnetic Properties 3.2.5 Comparison to Previously Reported Data 3.2.6 Theoretical Calculations 3.2.7 Discussion and Summarizing Remarks 4 Defect-Mediated Atomic Rearrangements 4.1 Experiments 4.2 Analysis of Magnetic Properties 4.3 Defect Characterization 4.4 Ab-initio Calculations of Positron Lifetimes 4.5 Discussion 5 Laser Pulse Induced Reversible Order-Disorder Transition 5.1 Experiments 5.2 Results 5.3 Simulations 5.4 Discussion 6 Conclusions / In bestimmten Legierungen mit einer kristallinen B2-Struktur, wie beispielsweise Fe60Al40, kann durch eine chemische Unordnung Ferromagnetismus erzeugt und modifiziert werden. Dieser durch Unordnung hervorgerufene B2→A2 Phasenübergang geht mit einer Vergrößerung des Gitterparameters von ungefähr 1% einher. Der erzeugte Ferromagnetismus kann durch eine atomare Neuordnung, d.h. durch den A2→B2 Phasenübergang, wieder abgeschaltet werden. In der vorliegenden Arbeit wird der B2↔A2 Phasenübergang mittels Ionen- und Laserbestrahlung hervorgerufen und kontrolliert. Ionenbestrahlung ermöglicht eine präzise Kontrolle des Unordnungsgrades und kann daher eingesetzt werden, um den Zusammenhang zwischen gradueller Unordnung und magnetischen Eigenschaften in der Fe60Al40 Legierung zu untersuchen. Die Reversibilität des laserinduzierten B2↔A2 Phasenübergangs wird in der vorliegenden Arbeit gezeigt. In B2-Fe60Al40 Dünnschichten ist mittels Ionenbestrahlung systematisch Unordnung erzeugt worden, wodurch die Zusammenhänge von atomarer Unordnung (1-S), dem Gitterparameter (a0) und der erzeugten Magnetisierung (Ms) offengelegt worden. Während der schrittweisen Unordnung des Kristallgitters tritt ein kritischer Punkt bei 1-S=0.6 und a0=2.91Å auf, an welchem Ms stark ansteigt. Die Bereiche unter- und oberhalb des kritischen Bereiches sind durch ein unterschiedliches, aber nahezu gleichbleibendes Ms charakterisiert. Das Verhalten ist para- bzw. ferromagnetisch. Berechnungen mittels Dichtefunktionaltheorie (DFT) deuten an, dass sich das System unterhalb des kritischen Punktes verhält, als wäre es noch vollständig geordnet, d.h. paramagnetisch; wohingegen Ms oberhalb des kritischen Bereiches größtenteils durch den Anstieg des Gitterparameters bestimmt wird. Darüber hinaus sind ungeordnete Dünnschichten mit verschiedenen Typen leerstellenartiger Defekte mittels Wärmebehandlung neu geordnet worden. Der A2→B2 Ordnungsprozess geschieht auf der Basis des Leerstellendiffusionsmechanismus. Die starke Abhängigkeit der Ordnungsrate von den Defekttypen ist mittels ab-initio DFT Berechnungen bestätigt worden: Die Ordnungsrate wird durch Einzel-Leerstellen erhöht und sinkt durch Dreifach-Defekte und Leerstellencluster. Die Defekte können durch eine vorherige Wärmebehandlung und/oder Ionenbestrahlung manipuliert werden, wodurch der darauffolgende Ordnungsprozess kontrolliert werden kann. Des Weiteren wird die reversible Unordnung und anschließende Neuordnung, d.h. ein Erzeugen bzw. Abschalten von Ferromagnetismus, durch die Bestrahlung mit Femtosekunden- Laserpulsen demonstriert. Die Bestrahlung mit einem einzelnen Laserpuls mit einer Fluenz über dem Schwellenwert erzeugt atomare Unordnung und damit Ferromagnetismus. Eine anschließende Laserbestrahlung unterhalb der Schwellenŕuenz bewirkt eine Neuanordnung der Atome an der Oberfläche und damit einem Auslöschen des Ferromagnetismus. Die Laserbestrahlung führt zu einem Aufschmelzen und dem anschließenden Erstarren des Materials; liegt die Erstarrungstemperatur unterhalb der Schmelztemperatur, so ist die Schmelze unterkühlt. Die ausschlaggebende Rolle des Grades der Unterkühlung wird durch Simulationen aufgezeigt: Ein einzelner Laserpuls über der Schwellenfluenz führt zu einer starken Unterkühlung der flüssigen Phase vor der Erstarrung, wodurch die Leerstellendiffusion und damit die atomare Neuordnung eingeschränkt werden. Durch Laserpulse unterhalb der Schwellenfluenz wird der Oberŕächenbereich kaum unterkühlt und erstarrt anschließend bei hinreichend hohen Temperaturen, um eine leerstellendiffusionsunterstützte Neuanordnung der Atome zu ermöglichen.:1 Introduction and Fundamentals 1.1 Magnetism and Structure in Chemically Ordered Materials 1.1.1 Effects Induced by Chemical Disorder 1.1.2 Properties of Fe-Al Alloys 1.2 Modiőcation of B2 Materials 1.2.1 Interaction of Ions with Solids 1.2.2 Laser-Solid Interaction 1.3 Motivation 2 Experimental and Theoretical Methods 2.1 Sample Preparation 2.1.1 Magnetron Sputtering 2.1.2 Annealing Process 2.1.3 Ion-Irradiation 2.1.4 Laser-Irradiation 2.2 Structural Characterization 2.2.1 X-Ray Diffraction 2.2.2 Rutherford Backscattering Spectrometry 2.2.3 Transmission Electron Microscopy 2.3 Magnetic Characterization 2.3.1 Vibrating Sample Magnetometry 2.3.2 Spin-Resolved Photoemission Electron Microscopy 2.4 Defect Analysis by Positron Annihilation Spectroscopy 2.5 Theoretical Approaches 2.5.1 DFT Calculations on the Properties of Fe60Al40 2.5.2 Ab-initio Calculations of Positron Lifetimes in Fe60Al40 2.5.3 Simulations on the Laser-Irradiation of Fe60Al40 3 Unraveling Magneto-Structural Correlations 3.1 Characterization of Ordered B2 and Disordered A2 Films 3.1.1 Experiments 3.1.2 Structural Properties 3.1.3 Magnetic Properties 3.1.4 Summarizing Remarks 3.2 Systematic Disordering by Ion-Irradiation 3.2.1 Experiments 3.2.2 Structural Characterization 3.2.3 Analysis of Magnetic Properties 3.2.4 Correlation of Structural and Magnetic Properties 3.2.5 Comparison to Previously Reported Data 3.2.6 Theoretical Calculations 3.2.7 Discussion and Summarizing Remarks 4 Defect-Mediated Atomic Rearrangements 4.1 Experiments 4.2 Analysis of Magnetic Properties 4.3 Defect Characterization 4.4 Ab-initio Calculations of Positron Lifetimes 4.5 Discussion 5 Laser Pulse Induced Reversible Order-Disorder Transition 5.1 Experiments 5.2 Results 5.3 Simulations 5.4 Discussion 6 Conclusions