Ferromagnetismo itinerante permanece um problema elusivo em Física. O fenômeno resulta da competição entre interação eletrônica e efeitos de muitos corpos e não pode ser tratado perturbativamente. Particularmente em uma dimensão, teoremas proíbem fases ferromagnéticas em T = 0 para modelos de rede com hopping de primeiros vizinhos. Nos últimos vinte anos, entretanto, apareceram modelos na literatura que estendem o hopping para além de primeiros vizinhos e para os quais ordem ferromagnética foi rigorosamente estabelecida. Praticamente todas as demonstrações da existência de ferromagnetos unidimensionais são feitas em fase isolante (com exceção de casos patológicos, como repulsão infinita). Isto nos levou a investigar o acoplamento entre os setores de spin e carga no regime fortemente interagente quando se dopa o sistema, o que introduz pontos de Fermi pF e -pF. Encontramos, com teoria de perturbação, singularidades logarítmicas na autoenergia do mágnon quando seu momentum é pF ou -pF. Derivamos uma teoria de campo efetiva para o espalhamento em torno desses pontos entre os mágnons e férmions sem spin (que representam o setor de carga). O modelo efetivo é similar ao modelo Kondo, que consiste de uma impureza magnética localizada acoplada localmente com um mar fermiônico por uma interação de troca entre spins. Em nosso modelo, há, na realidade, um pseudospin que indica se o momentum de uma partícula é próximo de pF ou de -pF e o mágnon se comporta como uma impureza móvel. A mobilidade da impureza leva a uma relação de dispersão para os férmions dependente do pseudospin da impureza. / Itinerant ferromagnetism remains an elusive problem in Physics. The phenomenon arises from a competition between electronic interaction and many-body effects and cannot be treated perturbatively. Particularly in 1D, there are rigorous proofs that forbid ferromagnetic phase for lattice models with nearest-neighbours hopping only. In the last twenty years, however, models with hopping beyond nearest-neighbours were proposed in the literature and for which ferromagnetic phase was rigorously established. Virtually every proof of the existence of one-dimensional ferromagnets is done in an insulator phase (disregarding some pathological cases, such as infinite electronic repulsion). That motivated us to investigate the coupling between spin and charge sectors in the strongly interacting regime when we dope the system, introducing two Fermi points, pF and -pF. We found out, through perturbation theory, logarithmic singularities in the magnon selfenergy when its momentum is pF or -pF. To understand them, we derived an effective field theory for the scattering between magnons and spinless fermions (which represent the charge sector) close to these points. The effective model resembles the Kondo model, which describes a magnetic impurity locally coupled to a fermionic sea through spin exchange interaction. In our model, there is actually a pseudospin that indicates if a particle momentum is closest to pF or -pF and the magnon behaves as a mobile impurity. The impurity mobility leads to a fermionic dispersion relation that depends on the impurity pseudospin.

Orientador: Guillermo Gerardo Cabrera Oyarzún / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Física "Gleb Wataghin" / Made available in DSpace on 2018-08-16T15:57:09Z (GMT). No. of bitstreams: 1 Rosa_PriscilaFerrariSilveira_M.pdf: 3441309 bytes, checksum: ac0fe3faa7642e9a7ef8330049e33761 (MD5) Previous issue date: 2010 / Resumo: A descrição da dinâmica quântica de sistemas de muitos corpos é um ingrediente chave para a computação quântica. No presente projeto, propomos o estudo da dinâmica em cadeias finitas de spin 1/2 na presença de impurezas ou defeitos. O modelo adotado será o de Ising quântico com campo transverso, do qual é possível obter o espectro de forma exata na presença de uma impureza. A dinâmica do sistema é movida exclusivamente por flutuações quânticas, cuja origem é o Princípio da Incerteza. Investigamos a relaxação de estados iniciais caracterizados por uma magnetização espacialmente não homogênea e que não possuam hipóteses sobre a proximidade com o estado de equilíbrio. Dessa forma, a matriz densidade inicial será dependente apenas de uma única coordenada espacial. A investigação então é realizada através da grandeza de interesse, a saber, a evolução temporal do valor médio das componentes de Fourier da magnetização, (SzQ)t. Soluções exatas, tanto analíticas quanto numéricas, são obtidas. Um dos objetivos iniciais deste trabalho consiste na busca de processos de relaxação lentos. Para os casos de solução analítica (impurezas periódica e antiperiódica) observamos relaxações oscilatórias e amortecidas por uma lei de potência no tempo do tipo (t/tQ)-vQ, onde tQ e vQ são dois parâmetros livres e Q é o número de onda associado a cada componente de Fourier. Há uma criticalidade no expoente vQ, o qual muda de 3/2 para 1/2 para certos valores de Q críticos. Por outro lado, para os casos de solução numérica (impurezas arbitrárias), os processos de relaxação são distintos daqueles citados acima. Os estados iniciais analisados são do tipo produto direto ferromagnético com um único spin virado, próximo ou distante da impureza. Neste caso, as evoluções temporais oscilam em torno deum valor médio não nulo e há uma larga faixa de valores de Q na qual os modos não se extinguem completamente / Abstract: The description of many body systems quantum dynamics is a key ingredient for quantum computation. In the present project we study finite spin-1/2 chains dynamic properties in the presence of impurities or defects. We adopt the quantum Ising model with transverse field, of which it is possible to obtain the energy spectrum by exact calculations in the presence of one impurity. The system dynamics is driven exclusively by quantum fluctuations, whose origin is the Uncertainty Principle. We investigate the relaxation of initial states characterized by spatially inhomogeneous magnetization without any hypothesis about the proximity with the equilibrium state. Thus, the initial density matrix will be dependent of only one spatial coordinate. The investigation then is realized through the temporal evolution of the magnetization's Fourier components. Exact solutions, analytical and numerical, are obtained. One of the goals of this work consist in the search of slow relaxation processes. For the analytical cases (periodic and anti-periodic impurities) we observe oscillatory relaxations with a decay given by a power law in time (t/tQ)-vQ, where tQ and vQ are two free parameters and Q is the wave number associated to a Fourier component. There is a criticality in the exponent vQ: its value changes from 3/2 to 1/2 for certain critical values of Q. On the other hand, for the numerical cases (arbitrary impurities), the relaxation processes are distinct from the cases cited above. The initial state analyzed is a ferromagnetic direct product with only one flipped spin, near or far from the impurity. In this case, the temporal evolutions oscillate around a finite mean value and there is a large interval of Q values in which the modes do not extinguish completely / Mestrado / Física da Matéria Condensada / Mestra em Física

As várias possibilidades de aplicações tecnológicas que o diamante permite, na indústria de dispositivos, impulsionaram os avanços de fabricação de amostras de diamante sintético de alta qualidade. O cristal de diamante crescido, do grafite, pela técnica de alta pressão e alta temperatura (HPHT - High Pressure-High Temperature), utiliza ligas de metais de transição como solvente-catalizadores, que produzem contaminação das amostras. Dentre as várias impurezas de metal de transição introduzidas no material resultante, as impurezas de níquel são as mais bem caracterizadas, pois os centros relacionados ao Ni apresentam características únicas nestas amostras sintéticas. Apesar das ligas de cobalto serem as mais utilizadas como solvente-catalizador no crescimento de diamante sintético, defeitos relacionados a sua presença, no material resultante, não têm sido identificados com a mesma facilidade como aqueles relacionados aos do níquel. Medidas de absorção óptica e de ressonância paramagnética eletrônica têm identificado vários centros relacionados com a impureza de níquel e alguns centros relacionados com a impureza de cobalto em diamante, tanto isolados como formando complexos, que envolvem defeitos intrínsecos e/ou dopantes. Entretanto, existem ainda muitas dúvidas e controvérsias sobre a estrutura microscópica destes centros. / High quality synthetic diamond, growth out of graphite, has been achieved by the high pressure-high temperature (HPHT) methods. In order to speed up the process and allow to get macroscopic samples, 3d-transition metal alloys have been used as solvent-catalysts. Those transition metals (TM) end up contaminating the samples, generating electrically and optically active centers. Nickel was the first transition metal impurity unambiguously identified in synthetic diamond, ever since, several nickel-related active centers have been observed. Although cobalt has been the most widely used solvent-catalyst to grow diamond, cobalt-related defects could not be identified as easily as the nickel-related ones. Electron paramagnetic resonance (EPR) and optical absorption measurements have identified several Ni-related centers and some Co-related centers in diamond, mostly isolated TM and TM-related complexes involving intrinsic defects and/or dopants. However, there is considerable controversy about the microscopic structure of those centers. We present a theoretical investigation on the structural and electronic properties of nickel and cobalt impurities in diamond. The atomic structures, symmetries, formation and transition energies, and hyperfine parameters of isolated interstitial and substitutional Ni and Co, as well as of the Ni-divacancy, Co-divacancy, Co-divacancy-nitrogen, Ni-B, and Ni-N complexes were computed by using ab initio total energy methods. Here we used the spin-polarized full-potential linearized augmented plane wave (FPLAPW) method. The calculations were performed within the framework of the density functional theory and considered the supercell approach. Our results are discussed in the context of the microscopic models which have been proposed to explain the active centers identified in synthetic diamond. Based on our results, we confirm some microscopic models and we ultimately propose new ones which unifies several experimentally identified impurities.

Doctor of Philosophy / Department of Physics / Hongxing Jiang / Deep ultraviolet (UV) photoluminescence (PL) spectroscopy has been employed to study optical properties of AlGaN alloys, undoped and doped AlN epilayers and nanostructure AlN photonics crystals (PCs). Using a deep UV laser system with an excitation wave length at 197 nm, continuous wave PL, temperature dependent, and time-resolved PL have been carried out on these AlGaN and AlN epilayers and nanostructures. We have measured the compositional and temperature dependence of the energy bandgap of AlxGa1-xN alloys covering the entire alloy range of x, 0 ≤ x ≤ 1 and fitted with the Varshni equation. Varshni coefficients, alpha and beta in AlGaN alloys have a parabolic dependence with alloy concentration x. Based on the experimental data, an empirical relation was thus obtained for the energy gap of AlGaN alloys for the entire alloy concentration and at any temperature below 800 K. The exciton localization energy in AlxGa1-xN alloys the entire composition range (0 ≤ x ≤ 1) has been measured by fitting the band edge emission peak energy with the Varshni equation. Deviations of the excitonic emission peak energy from the Varshni equation at low temperatures provide directly the exciton localization energies, ELoc in AlGaN alloys. It was found that ELoc increases with x for x ≤ 0.7, and decreases with x for x ≥ 0.8. The relations between the exciton localization energy, the activation energy, and the emission linewidth have been established. It thus provides three different and independent methods to determine the exciton localization energies in AlGaN alloys. Impurity transitions in AlGaN alloys have also been investigated. Continuous wave (CW) PL spectra of Si and undoped AlGaN alloys reveals groups of impurity transitions that have been assigned to the recombination between shallow donors and an isolated triply charged cation-vacancy (VIII)3-, a doubly charged cation-vacancy-complex (VIII-complex)2-, and a singly charged cation-vacancy-complex (VIII-complex)-1. The energy levels of these deep acceptors in AlxGa1-xN (0 ≤ x ≤ 1) alloys are pinned to a common energy level in the vacuum. AlGaN alloys predominantly exhibiting the bandedge and (VIII-complex)1- transitions possess improved conductivities over those emitting predominantly (VIII)3- and (VIII-complex)2- related transitions. These results thus answer the very basic question of high resistivity in Al-rich AlGaN alloys. Acceptor doped AlGaN alloys have been studied by deep UV PL. A PL emission line at 6.02 eV has been observed at 10 K in Mg-doped AlN. It is due to the recombination of an exciton bound to the neutral Mg acceptor (I1) with a binding energy, Ebx of 40 meV, which indicates large activation energy of the Mg acceptor. The observed large binding energy of the acceptor-bound exciton is consistent with relatively large binding energy of the Mg acceptor in AlN. With the energy level of 0.51 eV for Mg dopants in AlN, it is interesting and important to study other suitable acceptor dopants for AlN. Growth and optical studies of Zn-doped AlN epilayers has been carried out. The PL spectra of Zn-doped AlN epilayers exhibited two impurity emission lines at 5.40 and 4.50 eV, which were absent in undoped epilayers. They are assigned respectively, to the transitions of free electrons and electrons bound to triply positively charged nitrogen vacancies (0.90 eV deep) to the Zn0 acceptors. It was deduced that the Zn energy level is about 0.74 eV above the valence band edge, which is about 0.23 eV deeper than the Mg energy level in AlN. Nitrogen vacancies are the compensating defects in acceptor doped AlGaN alloys. A nitrogen vacancy (VN) related emission line was also observed in ion-implanted AlN at 5.87 eV and the energy level of singly charged VN1+ is found at 260 meV below the conduction band. As a consequence of large binding energy of VN1+ as well as high formation energy, VN1+ in AlN cannot contribute significant n-type conductivity, which is consistent with experimental observation. The temperature dependent PL study of the bandedge emissions in GaN and AlN epilayers up to 800 K has been carried out, which reveals two distinctive activation processes. The first process occurring below Tt = 325 K (Tt = 500 K) for GaN (AlN) is due to the activation of free excitons to free carriers, whereas the second occurring above Tt with an activation energy of 0.29 eV (0.3 eV) for GaN (AlN) is believed to be associated with a higher lying conduction band (3) at about 0.3 eV above the conduction band minimum (1). These higher lying bands could affect device performance of GaN and AlN at elevated temperatures. Two-dimensional nanostructured AlN photonic crystals (PCs) with a varying periodicity/diameter down to 150 nm/75 nm have also been studied by deep UV PL. With PCs formation, a 20-fold enhancement in the band edge emission intensity at 208 nm over unpatterned AlN epilayer has been observed. The emission intensity increases with the decrease in the lattice constant of the AlN PCs. AlN PCs represent photonic crystals with highest (shortest) bandgap (wavelength) semiconductors, which open up new opportunities for exploring novel physical phenomena in the artificially structured photonic band gap material systems and their applications, particularly in the area of deep UV as well as nano-photonics.

M.Sc. / Impurity resonance scattering effects are investigated in the Cr-Ga alloy system. This system has a triple point on its magnetic phase diagram where the paramagnetic (P), incommensurate (I) and commensurate (C) spin-density-wave (SDW) states co-exist. Alloying Cr with the nonmagnetic nontransitional element Ga affects the magnetic properties of Cr in a very unique way. In order to investigate the presence of resonant impurity scattering effects in binary Cr-Ga alloys, electrical resistivity measurements were carried out in the temperature range between 6 K and 85 K. The results of the investigation show: • A nonmonotonic increase in the residual resistivity of the Cr-Ga system with an increase in the Ga content, due to the presence of resonant impurity scattering of conduction electrons. • A low-temperature resistivity minimum observed in some of the Cr-Ga alloys, taken as further evidence for the presence of resonant impurity scattering effects on the conduction electrons. The impurity resonance scattering effects on the electrical resistivity of a Cr + 1.2 at.% Ga alloy, doped with V and Mn to tune the Fermi level through the impurity level, are also investigated. The investigation was complemented by thermal expansion and velocity of sound measurements in the temperature range 77 K to 450 K for the Cr + 1.2 at.% Ga alloy only. This specific Ga concentration was chosen to allow for studying resonant scattering effects in both the ISDW and CSDW phases of the system. This is possible because concentration of 1.2 at.% Ga is just above the triple point concentration. Doping with Mn to increase the electron concentration (eA) drives the alloy deeper into the CSDW phase region of the phase diagram, while doping with V, on the other hand, will drive the alloy towards the ISDW phase region. The results of the study are summarized as follows: • Two relatively sharp peaks, attributed to resonant impurity scattering effects, are observed in the curve of the residual resisitivity as a function of dopant concentration in the ISDW phase of the ternary (Cr0.988Ga0.012)1-xVx and (Cr0.988Ga0.012)1-yMny alloy systems. v • At 0 K the (Cr0.988Ga0.012)1-yMny alloy system transforms from the ISDW to the CSDW phase at y ≅ 0.0032, giving a CSDW phase for y > 0.0032. A peak is observed in the residual resistivity at about this Mn content. This peak can then either be ascribed to a jump occurring in the residual resistivity when the CSDW phase is entered from the ISDW phase or to resonant scattering effects. The conclusion is that the peak is rather related to the latter effect. • The resistivity as a function of temperature of the above two ternary alloy series show well-developed or weak minima at low temperatures for some of the samples. This is taken as further evidence of the influence of impurity resonant scattering effects on the resistivity of these alloys. • The resistivity and thermal expansion coefficient of the polycrystalline Cr0.988Ga0.012 alloy of the present study behaves anomalously close to the ISDW-CSDW phase transition temperature and warrant further investigation. The concentration-temperature magnetic phase diagram of the (Cr0.988Ga0.012)(Mn,V) alloy system was constructed from the magnetic transition temperatures obtained from electrical resistivity measurements. Theoretical analysis of the phase diagram was done using the two-band imperfect nesting model of Machida and Fujita. The results show: • A triple point at (0.21 at.% V, 225 K) where the ISDW, CSDW and P phases coexist on the magnetic phase diagram. • The curvature of all three theoretically calculated phase transition lines in the region of the triple point is of the same sign as that observed experimentally. • The theoretical fit is very good for the ISDW-P and ISDW-CSDW phase transition boundaries, while there is some discrepancy for the CSDW-P phase transition line. This may be attributed to the fact that the theory is one dimensional and that it does not include electron-hole pair breaking effects due to impurity scattering and also not effects of changes in the density of states due to alloying. / Dr. A.R.E Prinsloo Prof. H.L. Alberts

The goal of this thesis is to verify influence of conditions of metallurgical treatment, used foundry technology and conditions of solidification on electrical conductivity of pure copper castings. The experiment part observe differenec between alloy melting under normal pressure and in a vacuum and betwwen casting provided with chill, insulation and natural enviroment of mould.

This thesis deals with infrared studies of impurity states, ultrafast carrier dynamics as well as coherent intersubband polarizations in semiconductor quantum structures such as quantum wells and superlattices, based on the GaAs/AlGaAs material system. In the first part it is shown that the 2pz confined impurity state of a semiconductor quantum well develops into an excited impurity band in the case of a superlattice. This is studied by following theoretically the transition from a single to a multiple quantum well or superlattice by exactly diagonalizing the three-dimensional Hamiltonian for a quantum well system with random impurities. Intersubband absorption experiments, which can be nearly perfectly reproduced by the theory, corroborate this interpretation, showing that at low temperatures in the low doping density regime all optical transitions originate from impurity transitions. These results also require reinterpretation of previous experimental data. The relaxation dynamics of interminiband transitions in doped GaAs/AlGaAs superlattices in the mid-IR are studied. This involves single-color pump-probe measurements to explore the dynamics at different wavelengths, which is performed with the Rossendorf freeelectron laser (FEL), providing picosecond pulses in a range from 3-200 µm and are used for the first time within this thesis. In these experiments, a fast bleaching of the interminiband transition is observed followed by thermalization and subsequent relaxation, whose time constants are determined to be 1-2 picoseconds. This is followed by an additional component due to carrier cooling in the lower miniband. In the second part, two-color pump-probe measurements are performed, involving the FEL as the pump source and a table-top broad-band tunable THz source for probing the transmission changes. These measurements allow a separate specification of the cooling times after a strong excitation, exhibiting time constants from 230 ps to 3 ps for different excitation densities and miniband widths. In addition, the dynamics of excited electrons within the minibands is explored and their contribution quantitatively extracted from the measurements. Intersubband absorption experiments of photoexcited carriers in single quantum well structures, measured directly in the time-domain, i.e. probing coherently the polarization between the first and the second subband, are presented. From the data we can directly extract the density and temperature dependence of the intersubband dephasing time between the two lowest subbands, ranging from 50 up to 400 fs. This all optical approach gives us the ability to tune the carrier concentration over an extremely wide range which is not accessible in a doped quantum well sample. By varying the carrier density, many-body effects such as the depolarization and their influence on the spectral position as well as on the lineshape on the intersubband dephasing are studied. Also the difference of excitonic and free-carrier type excitation is discussed, and indication of an excitonic intersubband transition is found.

The increasingly complex world of illicit chemistry has created a need for rapid, selective means of determining the threat posed by new drugs as they are encountered by law enforcement personnel. To streamline this process, the entirety of the problem, from the production of illicit drugs all the way to the final analysis have been investigated. A series of N-alkylated phenethylamine analogues were synthesized in a shotgun method and subjected to direct-infusion analysis. A range of products were detected without the need for time-consuming purification steps, which was extended to novel pharmacological and receptor-binding assays where mass spectrometry is used as a detector. This direct-infusion technique was also applied to studies of methamphetamine and fentanyl production to preemptively determine improvements to common reaction conditions and explore the origins of common impurities. The ability to utilize these rapid techniques directly from the fume hood has also been critically reviewed to highlight gaps in current research and opportunities for improvement. When combined, these studies seek to provide a means for rapid, simplified analysis of illicit drugs to improve the quality of data and dramatically increase throughput.

京都大学 / 0048 / 新制・論文博士 / 博士(理学) / 乙第12996号 / 論理博第1552号 / 新制||理||1604(附属図書館) / 32924 / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)教授 松田 祐司, 教授 前野 悦輝, 教授 石田 憲二 / 学位規則第4条第2項該当 / Doctor of Science / Kyoto University / DGAM

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第20161号 / 理博第4246号 / 新制||理||1611(附属図書館) / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)教授 高橋 義朗, 教授 田中 耕一郎, 教授 川上 則雄 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DFAM