Thesis (Ph. D.)--University of Missouri-Columbia, 2003. / Typescript. Vita. Includes bibliographical references (leaves 87-88). Also available on the Internet.

published_or_final_version / Physics / Doctoral / Doctor of Philosophy

In the research reported here, a two-dimensional Ising-type model was used to study the tracer diffusion coefficients of oxygen ions in YBa2Cu307-x (YBCO) for various values of oxygen concentration and temperature. The first chapter provides a brief introduction to the problem considered in this thesis. This is followed by a short review of superconductivity, with particular reference to the experimental and theoretical aspects of high-temperature superconductivity and its applications. The structure of YBCO is then presented, with emphasis on its behaviour for various values of oxygen concentration and temperature. The model used in the simulations and the results for tracer diffusion coefficients and related quantities obtained by previous workers concludes the chapter. Results from other theoretical models are also included. In the second chapter a theoretical background for the Monte Carlo simulations employed in the present investigation is discussed. This chapter includes a short account on how these numerical methods evolved. The Monte Carlo approach to numerical evaluation of integrals is described. Then the idea of Markov sampling for obtaining members of the canonical ensemble is presented, and the Metropolis algorithm is described. In particular, convergence and the detailed balance condition are discussed. The consequence of starting from an arbitrary initial state when evaluating an observable of interest, and the effect on the reliability of the values of observables, are analysed. The chapter closes with a discussion of Monte Carlo methods applied to a lattice model in statistical mechanics. In chapter three results for the oxygen distribution produced by the diffusion of oxygen in YBCO are presented. These results were obtained from Monte Carlo simulations of the anti-symmetric nextto- nearest neighbour Ising (ASYNNNI) model. In addition to the uniform equilibrium distributions obtained by previous workers, it is found that this model also possesses nonuniform equilibrium oxygen distributions. The nonuniform distributions show a rich phase structure, and some preliminary results for this structure are presented. Results for the tracer diffusion coefficients in the nonuniform equilibrium distributions are given in the last chapter. Both local and global tracer diffusion coefficients for nonuniform equilibrium configurations are presented. Results obtained for uniform and nonuniform equilibrium configurations are compared. / Thesis (M.Sc.)-University of Natal, Pietermaritzburg, 1998.

Thesis (Ph.D.)--McMaster University (Canada), 1992. / Source: Dissertation Abstracts International, Volume: 54-08, Section: B, page: 4182. Adviser: J. E. Greedan.

Thesis (Ph.D.)--University of Wollongong, 2008. / Typescript. Includes bibliographical references: leaf [162]-180.

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Nesta tese investigamos o estado normal (T > Tc) dos Yba2Cu3O6+x supercondutores de alto Tc. As técnicas da RMN e RQN foram empregadas para estudar as respostas estática e dinâmica do sistema de spins eletrônicos em função da temperatura, para diversas concentrações de oxigênio: x = 0.5 (cristal 1), 0.92 (cristal 2), 0.94 (cristal 3) e 1.0 (cristais 4 e 5). Focalizando diferentes sítios nucleares a RMN pode fornecer uma informação mais rica da susceptibilidade dinâmica, X (q.w), abrangendo diferentes regiões da Zona de Brillouin (ZB). Com os sítios do 17O(2,3) e do 89Y sensoreamos a região próxima ao centro do ZB, q == 0, enquanto que com o sitio do Cu(2) exploramos o extremo do ZB, (q == QAF). Foi realizado um estudo comparativo da RMN dos sítios do Cu(2), do O(2,3) e do Y sobre o cristal 1. Da comparação entre os deslocamentos hiperfinos magnéticos do Y e do O(2,3) extraímos as contribuições orbitais e as constantes de acoplamento hiperfino do Y. A razão entre as relaxações spin-rede do O(2,3) e do Y mostrou-se independente da temperatura, e próxima do esperado teoricamente a partir das constantes hiperfinas no cenário do hamiltoniano de Mila e Rice. Questões como a dependência da taxa de relaxação spin-rede (T1-1) com a intensidade do campo e a anisotropia da susceptibilidade estática de spin foram estudadas sobre o cristal 2. Acima de Tc, para o Cu(2), não foi encontrada nenhuma dependência de T1 com a intensidade do campo. Os resultados sobre o Y indicam uma anisotropia da susceptibilidade e do tensor de acoplamento hiperfino. Uma extensa comparação entre os resultados da RMN e da Difusão Inelástica de Nêutrons (DIN) foi realizada sobre as mesmas amostras (cristais 4 e 5), fato inédito ate então. Propõe-se um modelo gaussiano para X\"~q,o», compatível com as experiências de nêutrons, no qual o comprimento de correlação ~ foi fixado pelos resultados da DIN sobre o cristal 2. Analisando a relaxação spin-spin do Cu(2), 63(T2g)-1, em função deste modelo, extraímos a susceptibilidade estática X\'(q=QAF) em unidades absolutas e encontramos um fator de Stoner X\'(q=QAF) / X\'(q=O) ~ 10. Da análise conjunta de 63(T1T)-1 e 63 (T2g)-1 obtivemos a energia característica das flutuações AF, rAF::::3:0meV, em excelente acordo com a DIN. Estes mesmos resultados permitiram evidenciar, exclusivamente através do RMN, quando ocorre a abertura de um gap de spin. Neste trabalho mostramos que resultados da DIN são compatíveis com a RMN para o sitio do Cu(2), porem, sérias dificuldades são encontradas para explicar os resultados sobre os sítios do Y e, principalmente, do O(2,3). As alternativas para este problema são discutidas. Os resultados obtidos nesta tese levaram ao estabelecimento de um diagrama de fase, segundo a RMN, do estado normal dos Yba2Cu3O6+x supercondutores, cobrindo do regime sub-dopado ao regime sobre-dopado, passando pela composição de dopagem ótima. / The normal state(T > Tc) of the high Te superconducting Yba2Cu3O6+x was studied. The NMR and NQR techniques were employed in order to investigate the static and dynamic responses of the electronic spin system as function of temperature, for the following oxygen contents: x = 0.5 (crystal 1), 0.92 (crystal 2), 0.94 (crystal 3) e 1.0 (crystals 4 and 5). Focusing various nuclear sites the NMR could give a more rich information of the dynamical susceptibility, X(q,ffi), probing different regions of the Brillouin Zone (ZB). With 17O(2,3) and 89Y sites the BZ center, q:: 0, was studied, while with the Cu(2) site it was the BZ extreme, (q:: QAF) that was investigated. In crystal 1 we have compared the NMR of the Cu(2), O(2,3) and Y sites. From the comparison between the Y and O(2,3) magnetic hyperfine shift we have extracted the orbital contributions and the Y hyperfine coupling tensor. The ratio between the O(2,3) and Y nuclear spin lattice relaxation rate was found to be temperature independent, and its value was in fair agreement with what it was expected theoretically from the coupling constants within the picture of the Mila-Rice Hamiltonian. Problems such as the field intensity dependence of the spin-lattice -relaxation rate (T1-1) and the anisotropy of the static susceptibility where investigated in crystal 2. Above Tc, for the Cu(2) site, we have not found any field dependence of T1. Our results on the Y site indicate an anisotropy of both the static susceptibility and the Y coupling tensor. An extensive comparison between the NMR and the Inelastic Neutron Diffusion (IND) results was done in the very same samples, crystals 2 and 4. In accordance to neutron data a Gaussian model for X\"AF( q,ro) is proposed, in which the coherence length ~ was fixed by the IND results in crystal 2. Analyzing the Cu(2) nuclear spin-spin relaxation rate, 63(T2g)-1, as function of this model, we have extracted the staggered susceptibility X\'(q=QAF) in absolute units, finding a Stoner factor X \'( q=QAF) / X\'( q=O) ~ 10. From the analysis of 63(T1T)-1 together with 63(T2g)-1 we have obtained the AF characteristic energy, rAF ::::l 30meV, in excellent agreement with IND. These results provided us a powerful method to evidence the opening of a spin pseudo gap, exclusively from the NMR results. A consistent picture arise from the comparison between IND and the Cu(2) NMR. In contrast, it is hard to explain the Y and, specially, the O(2,3) results within this same picture. The theoretical alternatives to this puzzle are discussed. The whole set of results we have obtained led us to propose a NMR based phenomenological phase diagram for the normal state of the superconducting Yba2Cu3O6+x, covering from the under doped regime to the over doped regime, passing through the optimal doping.

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京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第20164号 / 理博第4249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)准教授 池田 隆介, 教授 石田 憲二, 教授 川上 則雄 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DFAM

Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 1978 / Vita. / Includes bibliographical references. / Ph. D. / Ph. D. Massachusetts Institute of Technology, Department of Materials Science and Engineering