Les jonctions tunnel magnétiques épitaxiées Fe/MgO/Fe(001) présentent des comportements remarquables dans la limite des faibles ou des fortes épaisseurs de MgO. Ainsi, dans le premier cas, une interaction antiferromagnétique entre les deux couches de fer est observée ; dans le second, des effets de filtrage en symétrie conduisent à l?obtention de fortes valeurs de magnétorésistance. Les expériences réalisées au cours de cette thèse visent à étudier et mettre en relation ces deux régimes de propriétés extrêmes. Des analyses en tension et en température nous permettent d?étudier les conséquences d?une modulation de la structure cristalline des électrodes et/ou de l?interface sur le transport polarisé en spin. Dans ce cadre, nous nous intéressons à trois systèmes : des jonctions hybrides Fe/MgO(001)/CoFeB, où l?électrode de CoFeB est déposée par pulvérisation cathodique puis cristallisée in situ, des jonctions Fe/MgO/Fe à texture (001), ainsi que des jonctions Fe/MgO/Fe monocristallines présentant une rugosité artificielle à l?interface barrière/électrode. Le couplage antiferromagnétique dans des systèmes Fe/MgO/Fe(001) à barrière fine est étudié grâce à des mesures de magnétométrie sur la gamme de température [5 K ; 500 K]. Nous considérons aussi l?effet de modifications structurales et/ou chimiques de l?interface par le biais de l?introduction d?une rugosité contrôlée ou d?un contaminant. Les résultats les plus originaux de cette thèse sont obtenus grâce à l?introduction d?une rugosité artificielle à l?interface Fe/MgO ; contre toute attente, ce désordre contrôlé peut en effet augmenter l?effet de magnétorésistance ou l?intensité du couplage antiferromagnétique / Epitaxial magnetic tunnel junctions Fe/MgO/Fe(001) exhibit noteworthy behaviors for both small and large MgO thicknesses. In the first case, a strong antiferromagnetic interaction between Fe layers is observed, whereas symmetry filtering effects occur for large barriers, leading to high TMR values. The aim of the experiments performed during this thesis is to study and link these two behaviors. We consider the effect of a modulation of electrodes and/or interfaces crystalline structure on spin-polarized transport, by means of temperature and voltage analyses. In this framework, we focus on three systems: Fe/MgO(001)/CoFeB hybrid junctions, where the CoFeB electrode is grown by sputtering and in situ recrystallized, textured Fe/MgO/Fe(001) junctions, and finally single crystalline (001)Fe/MgO/Fe junctions with an artificial roughness at the electrode/barrier interface. The antiferromagnetic coupling in epitaxial Fe/MgO/Fe(001) systems with a thin MgO barrier is studied by magnetometry measurements in the [5 K; 500 K] range. We also consider the effect of structural and/or chemical changes resulting from a controlled roughness or a contamination on the coupling. The most interesting results of this thesis are obtained with the introduction of an artificial roughness at the Fe/MgO interface. Unexpectedly, this controlled disorder can improve the magnetoresistance effect or the coupling intensity. In both cases, this result is attributed to a Fe-O hybridization, which emphasizes the role of oxygen in MgO based magnetic tunnel junctions for both behaviors associated with extremely thin or thick barriers

Made available in DSpace on 2017-07-24T19:37:53Z (GMT). No. of bitstreams: 1 Renan Augusto Ribeiro.pdf: 3827899 bytes, checksum: 9440ed4880cbb0fbf9997c789341ea92 (MD5) Previous issue date: 2015-03-12 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / The development of spintronic has motivated the research for new half-metallic magnetic materials due to multifunctionality of these compounds and the spin-based devices fabrication with increased performance as compared to the usual electronic devices. From this perspective, we propose a theoretical investigation of FeBO3 (B = Ti, Zr, Hf, Si, Ge, Sn) ilmenite materials based on Density Functional Theory (DFT) within B3LYP hybrid functional to investigate the B-site cation replacement effect on the structural, elastic, magnetic and electronic properties of ilmenite materials. Calculated structural parameters are in agreement with experimental results and shown that the unit cell volume can be controlled by ionic radius of the B-site metals. The bond distances for FeO6 and BO6 octahedral clarify the Jahn-Teller distortion and Fe-O-B-O-Fe intermetallic connection. The elastic behavior was investigated from bulk modulus and showed that such results were influenced by different material densities. Furthermore, these quantities can be used for analyzing the thermodynamic stability of solids, proving that FeSnO3 and FeHfO3 are unstable due to the negative values for bulk modulus. The B-site radius effect is also evidenced on the magnetic property, where Fe(Ti, Si, Ge)O3 are antiferromagnetic, while Fe(Zr, Hf, Sn)O3 are ferromagnetic. The Mulliken population analysis and charge density maps show the charge corridor formation in the [001] direction due to the intermetallic connection with the B-site metals and electronegativity affecting the stability of ilmenite materials. The Density of States and Band Structure profiles show that antiferromagnetics materials and FeZrO3 are convectional semiconductors, whereas FeHfO3 and FeSnO3 exhibit intrinsic half-metallic behavior, making them promising candidates for spintronic devices. / O desenvolvimento da spintrônica tem motivado a busca por novos materiais magnéticos com comportamento meio-metálico devido à multifuncionalidade desses compostos e ao desenvolvimento de dispositivos baseados no spin do elétron, proporcionando um aumento do desempenho em relação aos dispositivos eletrônicos usuais. Nesse trabalho, propomos a investigação teórica, baseada na Teoria do Funcional de Densidade utilizando o funcional híbrido B3LYP, dos materiais FeBO3 (B = Ti, Zr, Hf, Si, Ge, Sn) na estrutura ilmenita com objetivo de esclarecer o efeito da substituição do cátion B sobre as propriedades estruturais, elásticas, magnéticas e eletrônicas. Os parâmetros estruturais calculados se mostraram em concordância com resultados experimentais e teóricos, revelando que o volume da célula unitária é controlado pelo raio iônico do cátion B. As distâncias de ligação calculadas para os octaedros FeO6 e BO6 indicam a existência do efeito de distorção Jahn-Teller e da conexão intermetálica Fe-O-B-O-Fe. O comportamento elástico foi investigado a partir do bulk modulus, indicando que tal entidade é dependente da densidade dos materiais e discute-se a possibilidade de utilizar esse fator para análise da estabilidade termodinâmica de sólidos, sugerindo a instabilidade dos materiais FeSnO3 e FeHfO3 devido aos valores negativos de bulk modulus. O efeito do tamanho dos cátions B é evidenciado sobre as propriedades magnéticas dos materiais, sendo que Fe(Ti, Si, Ge)O3 são antiferromagnéticos; enquanto que, Fe(Zr, Hf, Sn)O3 são ferromagnéticos. A análise populacional de Mulliken e os mapas de densidade de carga mostraram a formação de um corredor de carga nas conexões intermetálicas observadas na direção [001] e que a eletronegatividade dos cátions B afeta a estabilidade dos materiais com estrutura ilmenita. Os perfis de Densidade de Estados e Estrutura de Bandas mostram que os materiais antiferromagnéticos e o FeZrO3 são semicondutores convencionais, entretanto, FeHfO3 e FeSnO3 exibem comportamento meiometálico intrínseco, tornando-os promissores candidatos para dispositivos spintrônicos, porém, com outra estrutura.

The hole-doped perovskite manganese oxide such as Ln1-xAxMnO3 (Ln = La, Nd, Pr, and A = Ca, Sr, Ba, Pb) is one of the most studied topics in the recent years due to the observation of colossal magnetoresistance (CMR). Basically, LaMnO3 has an almost insulating behavior and on antiferromagnetic arrangement. By substituting a divalent cation (A2+) in place of La3+, LaMnO3 can be driven into metallic and ferromagnetic state. Mixed valence of Mn 3+ / Mn4+ is needed for both metallic behavior and ferromagnetism in these materials. The CMR characteristic occurs in the ferromagnetic state. A systematic investigation of the structural, magnetic and electrical properties in the perovskite colossal magnetoresistance materials La0.7-xLnxPb0.3Mn1-yMeyO3 (Ln=Pr, Nd and Y, Me=Fe and Co) has presented in this thesis. By subatituting Nd, Pr, Y for the La and Co, Fe for the Mn, the substitution effects on the crystallographic deformation, magnetotransport behavior and electrical properties in these compounds have been studied. According to the results of this research, crystallographic distortion is induced by the substitution of smaller ions, Pr or Nd, onto the La-site. Powder $x$-ray diffraction patterns show a crystallographic transition from rhombohedral symmetry (R-3c) to orthorhombic (Pbnm) crystal structure as the doping content is increased. The increase of deformation from R-3c to Pbnm decreases the bond angle of Mn3+¡ÐO2-¡ÐMn4+ , increases the cant of Mn spin, weakens the double-exchange interaction and results in decrease of ferromagnetism, low ferromagnetic transition temperature Tc, eg electron bandwidth and conductivity. However, the great quantity of decrease in resistivity by an external field leads to the increase in the magnetoresistance ratio. We also find that the increase of saturation magnetization results from the contribution of magnetic ion of Pr or Nd. In addition. in contrast to substitution La by magnetic ion of Pr and Nd, the saturation magnetization is decreased as Y content is increased. The zero-field-cool (ZFC) and field-cool (FC) magnetic measurements indicate that the range of spin ordering for Y one is shorter than Pr one or Nd one with the same doping content. It is because of the small ionic radius of Y, which results in larger distortion, increases the bond angle of Mn3+¡ÐO2-¡ÐMn4+, and corresponds low ferromagnetic transition temperature. The distortion induced by Mn-site substitution is not obvious due to the similar radius of Mn, Co and Fe. Powder x-ray diffraction patterns show a single phase of rhombohedral symmetry (R-3c) for Co doped ststem and a slight crystallographic transition from rhombohedral (R-3c) to orthorhombic (Pbnm) symmetry for Fe doped system. Values of temperature dependence of magnetization indicate that the ferromagnetic double-exchange interaction is gradually substituted by the superexchange interaction. The ZFC-FC curves also indicate that long-range spin ordering is progressively substituted by the short-range spin ordering. The substitution of Mn by Co and Fe supresses the double-exchange interaction, decreases the ferromagnetism and the ferromagnetic transition temperature. Due to the synthesis of the substitution of Nd, Pr, Y for La and Co, Fe for Mn, the mechanism of substitution effects are proved different. The substitution of Nd, Pr and Y for La distorts the crystal, decreases the Mn3+¡ÐO2-¡ÐMn4+ bond angle, and results in the transition of properties, while the substitution of Co and Fe for Mn decrease the percentage of ferromagnetic Mn3+¡ÐO2-¡ÐMn4+. The purpose of this thesis is to clear up the role functions of all elements in these compounds and properties of these compounds. Based on the knowledge of these compounds, it would be helpful to control the physical mechanism and improve the characteristics on preparing their thin film devices.

In this thesis multidomain states in magnetically ordered systems with competing long-range and short range interactions are under consideration. In particular, in antiferromagnetically coupled multilayers with perpendicular anisotropy unusual multidomain textures can be stabilized due to a close competition between long-range demagnetization fields and short-range interlayer exchange coupling. These spatially inhomogeneous magnetic textures of regular multidomain configurations and irregular networks of topological defects as well as complex magnetization reversal processes are described in the frame of the phenomenological theory of magnetic domains. Using a modified model of stripe domains it is theoretically shown that the competition between dipolar coupling and antiferromagnetic interlayer exchange coupling causes an instability of ferromagnetically ordered multidomain states and results in three possible ground states: ferromagnetic multidomain state, antiferromagnetic homogeneous and antiferromagnetic multidomain states. The presented theory allows qualitatively to define the area of existence for each of these states depending on geometrical and material parameters of multilayers. In antiferromagnetically coupled superlattices with perpendicular anisotropy an applied magnetic bias field stabilizes specific multidomain states, so-called metamagnetic domains. A phenomenological theory developed in this thesis allows to derive the equilibrium sizes of metamagnetic stripe and bubble domains as functions of the antiferromagnetic exchange, the magnetic bias field, and the geometrical parameters of the multilayer. The magnetic phase diagram includes three different types of metamagnetic domain states, namely multidomains in the surface layer and in internal layers, and also mixed multidomain states may arise. Qualitative and quantitative analysis of step-like magnetization reversal shows a good agreement between the theory and experiment. Analytical equations have been derived for the stray field components of these multidomain states in perpendicular multilayer systems. In particular, closed expressions for stray fields in the case of ferromagnetic and antiferromagnetic stripes are presented. The theoretical approach provides a basis for the analysis of magnetic force microscopy (MFM) images from this class of nanomagnetic systems. Peculiarities of the MFM contrast have been calculated for realistic tip models. These characteristic features in the MFM signals can be employed for the investigations of the different multidomain modes. The methods developed for stripe-like magnetic domains are employed to calculate magnetization processes in twinned microstructures of ferromagnetic shape-memory materials. The remarkable phenomenon of giant magnetic field induced strain transformations in such ferromagnetic shape memory alloys as Ni-Mn-Ga, Ni-Mn-Al, or Fe-Pd arises as an interplay of two physical effects: (i) A martensitic transition creating competing phases, i.e. crystallographic domains or variants, which are crystallographically equivalent but have different orientation. (ii) High uniaxial magnetocrystalline anisotropy that pins the magnetization vectors along certain directions of these martensite variants. Then, an applied magnetic field can drive a microstructural transformation by which the martensitic twins, i.e. the different crystallographic domains, are redistributed in the martensitic state. Within the phenomenological (micromagnetic) theory the equilibrium parameters of multivariant stripe patterns have been derived as functions of the applied field for an extended single-crystalline plate. The calculated magnetic phase diagram allows to give a detailed description of the magnetic field-driven martensitic twin rearrangement in single crystals of magnetic shape-memory alloys. The analysis reveals the crucial role of preformed twins and of the dipolar stray-field energy for the magnetic-field driven transformation process in magnetic shape-memory materials. This work has been done in close collaboration with a group of experimentalists from Institute of Metallic Materials of IFW Dresden, Germany and San Jose Research Center of Hitachi Global Storage Technologies, United States. Comparisons between theoretical and experimental data from this cooperation are presented throughout this thesis as vital part of my work on these different subjects.

Les applications d’électronique de spin telles les mémoires à accès aléatoire (MRAM), les capteurs (e.g.les têtes de lecture des disques durs d’ordinateurs) et les éléments de logique magnétique utilisent les interactionsd’échange ferromagnétique/antiferromagnétique (F/AF) dans le but de définir une direction de référence pour lespin des électrons de conduction. Les MRAM à écriture assistée thermiquement (TA-MRAM) utilisent mêmedeux bicouches F/AF : une pour le stockage de l’information et l’autre comme référence. Ces dernièresapplications technologiques impliquent des étapes de nanofabrication des couches minces continues pour formerune matrice de cellules mémoires individuelles. La qualification industrielle du produit final impose de sérieusescontraintes sur la largeur des distributions des propriétés magnétiques - y compris d’échange F/AF - de cellulemémoire à cellule mémoire. Des phases verres de spin réparties de manière aléatoire sur la couche continue, àl’interface F/AF ou dans le coeur de l’AF pourraient contribuer de manière significative à ces distributionsd’échange F/AF dans les dispositifs, après nanofabrication ; comme supposé il y a de cela quelques années. Lebut de cette thèse est d’étudier factuellement le possible lien entre verre de spin répartis dans des couches mincesF/AF et dispersions de propriétés d’échange de cellule mémoire à cellule mémoire dans les dispositifs TAMRAMcorrespondants. Avant cela, l’origine de ces régions verre de spin a été étudiée et une attention plusparticulière a été portée au rôle joué par les diffusions de Mn. Ces dernières ont été directement observées,comprises et l’utilisation de barrières complexes pour les réduire et par là même pour diminuer la quantité dephases verre de spin a été mise en oeuvre avec succès. En guise d’alternative pour varier la quantité de verres despin, l’utilisation d’AFs composites a été également étudiée dans le cadre de cette thèse. Ce type d’AF permet dumême coup de varier la stabilité thermique des grains AF et de répondre à un autre problème identifié pour lesTA-MRAM qui consiste à trouver des matériaux AF avec des propriétés de rétention et d’écriture intermédiairespar rapport aux matériaux actuellement utilisés. Finalement, ces AFs composites ont été utilisés comme moyende varier la quantité de verres de spin dans des dispositifs TA-MRAM réels et de prouver le lien direct avec ladispersion de propriétés de cellule mémoire à cellule mémoire. / Spintronics applications such as magnetic random access memories (MRAM), sensors (e.g.. hard diskdrive read head) and logic devices use ferromagnetic/antiferromagnetic (F/AF) exchange bias (EB) interactionsto set the reference direction required for the spin of conduction electrons. Thermally-assisted (TA-) MRAMapplications even use two F/AF exchange biased bilayers: one for reference and one for storage. Suchtechnological applications involve patterning full sheet wafers into matrix of individual bit-cells. Industrialproducts qualification imposes stringent requirements on the distributions of the magnetic properties from cell tocell, including those related to EB. It was supposed few years ago that randomly spread spin-glass like phases atthe F/AF interface or within the bulk of the AF layer significantly contribute to the distributions of EB propertiesin devices after processing. This thesis aimed at factually studying the link between spin-glasses spread overF/AF thin films and bit-cell dispersions of EB in corresponding TA-MRAM. Prior to that the origin of the spinglasslike regions and more specifically the role of Mn-diffusion was consolidated. Mn-diffusion was directlyobserved, understood and the use of complex barriers to reduce such diffusion and consequently to minimize theamount of spin-glass was successfully studied. Mixing AFs as another way to tune the amount of spin-glass likephases was also evidenced in the framework of this thesis. All at once, this last solution also tuned the AF grainsthermal stability and this solved another issue related to TA-MRAM, i.e. finding AF-materials with intermediateretention and write properties compared to the AFs presently used. Finally, those mixed antiferromagnets werethe mean chosen to tune the amount of spin-glass like phases in real TA-MRAM devices and to factually provetheir link with bit-cell distributions of EB properties.

Engineering new solid propellant materials requires optimization of several factors, to include energy density, burn rate, sensitivity, and environmental impact. Equally important is the need for materials that will maintain their mechanical properties and thermal stability during long periods of storage. The nanoscale materials considered in this dissertation are proposed metal additives that may enhance energy density and improve combustion in a composite rocket motor. Density Functional Theory methods are used to determine cluster geometries, bond strengths, and energy densities. The ground-state geometries and electron affinities (EAs) for MnxO?: x = 3, 4, y = 1, 2 clusters were calculated with GGA, and estimates for the vertical detachment energies compare well with experimental results. It was found that the presence of oxygen influences the overall cluster moment and spin configuration, stabilizing ferrimagnetic and antiferromagnetic isomers. The calculated EAs range from 1.29-1.84 eV, which is considerably lower than the 3.0-5.0 eV EAs characteristic of current propellant oxidizers. Their use as solid propellant additives is limited. The structures and bonding of a range of Al-cyclopentadienyl cluster compounds were studied with multilayer quantum mechanics/molecular mechanics (QM:MM) methods. The organometallic Al-ligand bonds are generally 55-85 kcal/mol and are much stronger than Al-Al interactions. This suggests that thermal decomposition in these clusters will proceed via the loss of surface metal-ligand units. The energy density of the large clusters is calculated to be nearly 60% that of pure aluminum. These organometallic cluster systems may provide a route to extremely rapid Al combustion in solid rocket motors. Lastly, the properties of COOH-terminated passivating agents were modeled with the GPW method. It is confirmed that fluorinated polymers bind to both Al(111) and Al(100) at two Al surface sites. The oligomers HCOOH, CH3CH2COOH, and CF3CF2COOH chemisorb onto Al(111) with adsorption energies of 10-45 kcal/mol. The preferred contact angle for the organic chains is 65-85 degrees, and adsorption energy weakens slightly with increasing chain length. Despite their relatively weak adsorption energies, fluorinated polymers have elevated melting temperatures, making them good passivation materials for micron-scale Al fuel particles.

Στην συγκεκριμένη εργασία ασχολούμαστε με την μελέτη θερμικά σύμπλεκτων (entangled) καταστάσεων πολλών κβαντικών bit (qubit) σε διάφορα μοντέλα Heisenberg με την μέθοδο Monte Carlo (MC). Αρχικά χρησιμοποιώντας τον μετασχηματισμό Suzuki-Trotter μετατρέπουμε την κβαντική μονοδιάστατη αλυσίδα των spin (μοντέλα Ising, Heisenberg με και χωρίς μαγνητικό πεδίο στις διευθύνσεις x,y,z) σε κλασικό δισδιάστατο πλέγμα. Εξετάζουμε την συμπεριφορά του συγκεκριμένου μετασχηματισμού για το αντισιδηρομαγνητικό Heisenberg ΧΧΧ μοντέλο, για το σιδηρομαγνητικό Heisenberg μοντέλο (ΧΧΧ και ΧΥΖ) χωρίς και με μαγνητικό πεδίο στις διευθύνσεις x,y,z για διάφορα μήκη της αλυσίδας, διαφορετικές διαστάσεις Trotter και διαφορετικό αριθμό Monte Carlo βημάτων (MCΒήματα). Μελετάμε την συμπεριφορά της θερμοχωρητικότητας, της ενέργειας, της μαγνητικής επιδεκτικότητας και της μαγνήτισης στις διευθύνσεις x,y,z. Επιβεβαιώνουμε την σωστή συμπεριφορά τους με βάση τα αναλυτικά αποτελέσματα. Τέλος γνωρίζοντας, ότι η κλασική συσχέτιση είναι το κάτω όριο της ποσότητας Localizable Entanglement, και ότι η ποσότητα Entanglement of Assistance είναι το πάνω όριο, εκτιμούμε για τα ίδια μοντέλα τη συμπεριφορά των ορίων και προσπαθούμε να εκτιμήσουμε το μήκος σύμπλεξης (Entanglement Length) για διάφορες θερμοκρασίες. / In the present Master Thesis we study the thermal entangled states of many qubits in a variety of Heisenberg models with the deployment of the Monte Carlo(MC) method. Initially we are using the Suzuki-Trotter decomposition in order to convert the one dimensional spin chain(models Ising, Heisenberg with and without magnetic field in the x,y,z axis) into a classical two dimensional lattice. We examine the behavior of the latter decomposition for the antiferromagnetic Heisenberg XXX model, the ferromagnetic Heisenberg model (XXX and XYZ) with or without magnetic field in the axis x,y,z for different chain lengths, Trotter dimensions and number of Monte Carlo Steps (MCSteps). We investigate the behavior of the following quantities: specific heat, energy, susceptibility and magnetization in the axis x,y,z. We confirm their proper behavior comparing to analytical and arithmetic results. Finally knowing that the maximum classical correlation function is the lower limit of the quantity Localizable Entanglement (LE) and that the quantity Entanglement of Assistance is the upper limit, we evaluate for the same models the behavior of the limits and we try to evaluate the Entanglement Length for a variety of temperatures.

Les applications d’électronique de spin telles les mémoires à accès aléatoire (MRAM), les capteurs (e.g.les têtes de lecture des disques durs d’ordinateurs) et les éléments de logique magnétique utilisent les interactionsd’échange ferromagnétique/antiferromagnétique (F/AF) dans le but de définir une direction de référence pour lespin des électrons de conduction. Les MRAM à écriture assistée thermiquement (TA-MRAM) utilisent mêmedeux bicouches F/AF : une pour le stockage de l’information et l’autre comme référence. Ces dernièresapplications technologiques impliquent des étapes de nanofabrication des couches minces continues pour formerune matrice de cellules mémoires individuelles. La qualification industrielle du produit final impose de sérieusescontraintes sur la largeur des distributions des propriétés magnétiques - y compris d’échange F/AF - de cellulemémoire à cellule mémoire. Des phases verres de spin réparties de manière aléatoire sur la couche continue, àl’interface F/AF ou dans le coeur de l’AF pourraient contribuer de manière significative à ces distributionsd’échange F/AF dans les dispositifs, après nanofabrication ; comme supposé il y a de cela quelques années. Lebut de cette thèse est d’étudier factuellement le possible lien entre verre de spin répartis dans des couches mincesF/AF et dispersions de propriétés d’échange de cellule mémoire à cellule mémoire dans les dispositifs TAMRAMcorrespondants. Avant cela, l’origine de ces régions verre de spin a été étudiée et une attention plusparticulière a été portée au rôle joué par les diffusions de Mn. Ces dernières ont été directement observées,comprises et l’utilisation de barrières complexes pour les réduire et par là même pour diminuer la quantité dephases verre de spin a été mise en oeuvre avec succès. En guise d’alternative pour varier la quantité de verres despin, l’utilisation d’AFs composites a été également étudiée dans le cadre de cette thèse. Ce type d’AF permet dumême coup de varier la stabilité thermique des grains AF et de répondre à un autre problème identifié pour lesTA-MRAM qui consiste à trouver des matériaux AF avec des propriétés de rétention et d’écriture intermédiairespar rapport aux matériaux actuellement utilisés. Finalement, ces AFs composites ont été utilisés comme moyende varier la quantité de verres de spin dans des dispositifs TA-MRAM réels et de prouver le lien direct avec ladispersion de propriétés de cellule mémoire à cellule mémoire. / Spintronics applications such as magnetic random access memories (MRAM), sensors (e.g.. hard diskdrive read head) and logic devices use ferromagnetic/antiferromagnetic (F/AF) exchange bias (EB) interactionsto set the reference direction required for the spin of conduction electrons. Thermally-assisted (TA-) MRAMapplications even use two F/AF exchange biased bilayers: one for reference and one for storage. Suchtechnological applications involve patterning full sheet wafers into matrix of individual bit-cells. Industrialproducts qualification imposes stringent requirements on the distributions of the magnetic properties from cell tocell, including those related to EB. It was supposed few years ago that randomly spread spin-glass like phases atthe F/AF interface or within the bulk of the AF layer significantly contribute to the distributions of EB propertiesin devices after processing. This thesis aimed at factually studying the link between spin-glasses spread overF/AF thin films and bit-cell dispersions of EB in corresponding TA-MRAM. Prior to that the origin of the spinglasslike regions and more specifically the role of Mn-diffusion was consolidated. Mn-diffusion was directlyobserved, understood and the use of complex barriers to reduce such diffusion and consequently to minimize theamount of spin-glass was successfully studied. Mixing AFs as another way to tune the amount of spin-glass likephases was also evidenced in the framework of this thesis. All at once, this last solution also tuned the AF grainsthermal stability and this solved another issue related to TA-MRAM, i.e. finding AF-materials with intermediateretention and write properties compared to the AFs presently used. Finally, those mixed antiferromagnets werethe mean chosen to tune the amount of spin-glass like phases in real TA-MRAM devices and to factually provetheir link with bit-cell distributions of EB properties.

Submitted by Irene Nascimento (irene.kessia@ufpe.br) on 2017-04-17T18:48:07Z No. of bitstreams: 2 license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) Dissertação Mestrado.pdf: 3421668 bytes, checksum: 4a6d6f2568841028e0b66b952f2d15ba (MD5) / Made available in DSpace on 2017-04-17T18:48:07Z (GMT). No. of bitstreams: 2 license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) Dissertação Mestrado.pdf: 3421668 bytes, checksum: 4a6d6f2568841028e0b66b952f2d15ba (MD5) Previous issue date: 2016-08-30 / Este trabalho é uma extensão de uma modelagem tight−binding de estados de Wannier com interação coulombiana de screening para a descrição de elétrons correlacionados nas camadas de CuO2 do La2CuO4. Na condição de banda semicheia e temperatura T = 0 K, esta modelagem é capaz de predizer um estado fundamental antiferromagnético isolante e um estado excitado paramagnético com pseudo-gap, cuja natureza ainda é debatido na literatura. Esses estados são obtidos no contexto de uma solução auto-consistente tipo Hartree-Fock na modelagem de uma banda efetiva de estados de Wannier, sob condições de quebra de simetria de translações espaciais e efeito de emaranhamento (entanglement) na estrutura espinorial dos estados eletrônicos. No regime dopado com buracos, esses estados ficam degenerados num ponto crítico de concentração de buracos igual a xc = 0.2, resultando em uma transição de fase quântica de segunda ordem para um estado paramagnético. A modelagem dá assim explicação à existência detectada experimentalmente desta transição de fase. Em nosso trabalho generalizamos o termo cinético da modelagem acima mencionada através da inclusão de hopping entre segundos vizinhos, de acordo com observações experimentais. De fato, a inclusão deste novo termo cinético resulta em melhor concordância da previsão da modelagem e as observações experimentais da evolução da superfície de Fermi com dopagem de buracos. Em particular, enquanto na modelagem restrita a primeiros vizinhos não podemos conciliar a transição de fase quântica observada a xc = 0.2 com as características experimentais da evolução da superfície de Fermi, isto torna-se possível com a inclusão do hopping de segundos vizinhos com amplitude sugerida pelos resultados experimentais. / This work is an extension of a tight - binding model of states of Wannier with screened Coulomb interaction to the description of correlated electrons in the layers of CuO2 of the La2CuO4. In condition of half-filled band and temperature T = 0 K, this model is able to predict a antiferromagnetic insulating ground state and a paramagnetic excited state with pseudo-gap, which nature is still debated in the literature. These states are obtained in the context of a self-consistent solution type Hartree-Fock in the model of an effective band of the Wannier states under breaking conditions of symmetry of space translations and entanglement effect in the spinor structure of the electronic states. In scheme doped with holes, these states are degenerate at critical point of hole concentration equal to xc = 0.2, resulting in a quantum phase transition of second order to paramagnetic state. The model thus gives explanation to the existence of this experimentally detected phase transition. In our work we generalize the kinetic term of above mentioned model by inclusion of hopping between seconds neighboring, according to experimental observations. In fact, the inclusion of this new kinetic term results in better agreement of the forecast of the model and experimental observations of the evolution of the Fermi surface with holes doping. In particular, while the model is restricted to the first neighbors can not reconcile quantum phase transition observed at xc = 0.2 with the experimental characteristics of the evolution of the Fermi surface, this becomes possible with the inclusion of hopping between second neighboring with ampliude suggested by experimental results.

Submitted by Haroudo Xavier Filho (haroudo.xavierfo@ufpe.br) on 2016-04-14T16:39:36Z No. of bitstreams: 2 license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) tese_final_biblioteca.pdf: 10701235 bytes, checksum: 1af9d6bb745e78ea9fe6b261b7baa59c (MD5) / Made available in DSpace on 2016-04-14T16:39:36Z (GMT). No. of bitstreams: 2 license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) tese_final_biblioteca.pdf: 10701235 bytes, checksum: 1af9d6bb745e78ea9fe6b261b7baa59c (MD5) Previous issue date: 2015-05-08 / Nesta tese tratamos teoricamente algumas propriedades magnéticas e excita c~oes de spins em materiais ferromagn eticos e antiferromagn eticos com o objetivo de interpretar as medidas e observa c~oes experimentais. Usamos a formula c~ao de ondas de spins de Holstein-Primako para investigar propriedades da din^amica de propaga c~ao de ondas de spins no material ferrimagn etico YIG e tamb em no sistema antiferromagn etico FeF2. Para cada um deles, desenvolvemos modelos te oricos que permitiram ajustar as rela c~oes de dispers~ao de ondas de spins medidas experimentalmente nesses. Al em disso, investigamos a renormaliza c~ao da energia de m agnons usando o formalismo das fun c~oes de Green de dois tempos dependentes da temperatura de Bogoliubov-Tyablikov. A aplica c~ao para o YIG, permitiu calcular as varia c~oes da rela c~ao de dispers~ao para m agnons com a temperatura. Tamb em se investigou a renormaliza c~ao da energia de m agnons no sistema FeF2, mas esta vez considerando uma aproxima c~ao do tipo RPA1. Na renormaliza c~ao da energia foram consideradas duas contribui c~oes: exchange isotr opica tipo Heisenberg e anisotropia uniaxial. Em nossas considera c~oes, foi inclu da a depend^encia com a temperatura da anisotropia uniaxial que permitiu estimar o campo critico de transi c~ao de spin- op para o limite de estabilidade da fase antiferromagn etica. Tamb em, foi feito um estudo te orico e experimental da anisotropia magneto cristalina do material antiferromagn etico RbMnF3, baseado nas intera c~oes de campo cristalino e intera c~ao de spin- orbita, com o objetivo de calcular a varia c~ao com a temperatura do campo de spin- op. As ondas de spins em YIG foram estudadas em mais detalhes calculando as taxas de relaxa c~ao por processos de espalhamento de 3-m agnons e 4-m agnons. Igualmente foram estimadas empregando campos magn eticos intensos da ordem de 102 kOe. Finalmente, estudamos propriedades t ermicas de transporte de m agnons em YIG submetido a campos magn eticos intensos. Calculamos o calor 1Random Phase Approximation especi co de m agnons e a condutividade t ermica em baixas temperaturas e campos magn eticos externos intensos para serem comparados com as medidas experimentais encontrando um bom acordo entre teoria e experimento [145] / In this thesis we theoretically treat some magnetic properties and excitations of spins in ferromagnetic and antiferromagnetic materials in order to interpret measurements and experimental observations. We use the formulation of quantization of spin waves of Holstein-Primako to investigate properties of the spin wave propagation dynamics in the ferrimagnetic material YIG and also in the antiferromagnetic system FeF2. For each of them, we have developed theoretical models to adjust the dispersion relations of spin waves measured experimentally in these systems. In addition, we investigated the magnon energy renormalization using the formalism of two-time temperature dependent Green's functions of Bogoliubov-Tyablikov. The application for the YIG allowed calculate the variation of the dispersion relation for magnons with temperature. We also investigate the magnon energy renormalization in the system FeF2, but this time considering an approximation of the RPA type. In the energy renormalization were considered two contributions: exchange isotropic Heisenberg and uniaxial anisotropy type. In our calculations the temperature dependence of the uniaxial anisotropy eld allows estimating the critical spin- op transition for the antiferromagnetic phase stability limit. Also, we have undertaken a theoretical and experimental study of the magneto crystalline anisotropy of the antiferromagnetic material RbMnF3, based on the crystal eld interactions and spin-orbit interaction, in order to calculate the variation with temperature of the eld spin- op. The spin waves in YIG were studied in more detail calculating the relaxation rate due to 3-magnons and 4-magnons scattering processes considering strong magnetic elds of hundreds of kOe. Finally, we have studied thermal transport properties of magnons in YIG subject to intense magnetic elds. We have, calculate of the speci c heat and thermal conductivity of magnons at low temperatures and high elds to compare with the experimental measurements nding a good agreement between theory and experiment [145].