Spin-phonon avalanches in Mn-12 acetate

We report experimental studies and suggest a quantitative model of spin relaxation in Mn12 acetate in a pulsed magnetic field in the temperature range 1.95.0 K. When the field applied along the anisotropy axis is swept at 140 T/s through a nonmagnetized Mn12 acetate sample, the samples magnetization switches, within a few milliseconds, from zero to saturation at a well-defined field whose value depends on temperature but is quantized in units of 0.46 T. A quantitative explanation of the effect is given in terms of a spin-phonon avalanche combined with thermally assisted resonant spin tunneling.

Teorias duais massivas de spin-3 em D=2+1: Elias Leite Mendonça. -

Pós-graduação em Física - FEG

Applications of spin resonance techniques to the study of radiation effects,

Includes bibliography.

Utilização de pulsos de radiofrequência fortemente modulados no processamento de informação quântica via ressonância magnética nuclear

Nesta dissertação apresentamos um trabalho de desenvolvimento e utilização de pulsos de radiofreqüência modulados simultaneamente em freqüência, amplitude e fase (pulsos fortemente modulados, SMP, do inglês Strongly Modulated Pulses) para criar estados iniciais e executar operações unitárias que servem como blocos básicos para processamento da informação quântica utilizando Ressonância Magnética Nuclear (RMN). As implementações experimentais foram realizas em um sistema de 3 q-bits constituído por spins nucleares de Césio 133 (spin nuclear 7/2) em uma amostra de cristal líquido em fase nemática. Os pulsos SMP´s foram construídos teoricamente utilizando um programa especialmente desenvolvido para esse fim, sendo o mesmo baseado no processo de otimização numérica Simplex Nelder-Mead. Através deste programa, os pulsos SMP foram otimizados de modo a executarem as operações lógicas desejadas com durações consideravelmente menores que aquelas realizadas usando o procedimento usual de RMN, ou seja, seqüências de pulsos e evoluções livres. Isso tem a vantagem de reduzir os efeitos de descoerência decorrentes da relaxação do sistema. Os conceitos teóricos envolvidos na criação dos SMPs são apresentados e as principais dificuldades (experimentais e teóricas) que podem surgir devido ao uso desses procedimentos são discutidas. Como exemplos de aplicação, foram produzidos os estados pseudo-puros usados como estados iniciais de operações lógicas em RMN, bem como operações lógicas que foram posteriormente aplicadas aos mesmos. Utilizando os SMP\'s também foi possível realizar experimentalmente os algoritmos quânticos de Grover e Deutsch-Jozsa para 3 q-bits. A fidelidade das implementações experimentais foi determinadas utilizando as matrizes densidade experimentais obtidas utilizando um método de tomografia da matriz densidade previamente desenvolvido.

Propiedades estructurales y dinámicas de organizaciones supramoleculares de interés biológico: Estudios por Resonancia Magnética

En este proyecto se estudian propiedades estructurales y dinámicas de fluídos complejos, en particular de organizaciones como micelas, vesículas, fases hexagonales, etc. Se pretende profundizar en el conocimiento de diversos aspectos de las membranas biológicas y de proteínas que contienen metales de transición usando sistemas modelo simple. Nuestra aproximación experimental al problema involucra esencialmente el uso de la Resonancia Magnética Nuclear de fosfóro-31, hidrógeno, deuterio y carbono-13 y de Resonancia Paramegnética Electrónica usando marcadores de espín. Se realizan también estudios complementarios de áreas moleculares y presiones de colapso en capas monomoleculares y análisis térmico diferencial. (...) Objetivos generales y específicos: El objetivo del proyecto es contribuir a un mejor entendimiento de las complejas membranas biológicas y del funcionamiento de proteínas que contienen metales de transición estudiando propiedades estructurales y dinámicas y transiciones de fase en organizaciones moleculares más simples. Se estudiará la existencia de transiciones de fase liotrópicas y termotrópicas y el efecto de perturbantes sobre la dinámica molecular en los sistemas seleccionados. En el sistema Zn(d,l-histidina)2.5H2O hemos iniciado varias mediciones de RMN de 1H y 2H en función de temperatura que revelan movimientos cuyas energías de activación hemos calculado. Sin embargo, no hemos logrado hasta el momento determinar unívocamente el tipo de movimiento y los átomos involucrados. Es para esto que pretendemos realizar estudios de RMN en otros núcleos tales como 13C, 14N y 15N e iniciar mediciones más finas de tiempos de relajación spin-spin T2 y spin-red T1 en 1H y 2H y en los núcleos mencionados en función de temperatura. Asimismo, se continuará la caracterización de bicapas y otras fases formadas por fosfolípidos de origen natural a los cuales se agregan gangliósidos y/o colesterol. Se aprovecha que el 31P (de abundancia natural 100%) tiene spin nuclear ½ y que la forma de línea de resonancia, una vez cancelada la interacción dipolar magnética con los hidrógenos, provee a través del corrimiento químico del 31P información del entorno del mismo y así de la organización molecular. Complementariamente, los resultados de RPE nos permitirán conocer la dinámica de la zona hidrofóbica de los agregados y diferenciar micelas de vesículas pequeñas. Esta información no es accesible a partir de mediciones de 31P-RMN.

Estudo da técnica de ressonância magnética para algumas aplicações voltadas à neurologia e à neurociência

Magnetic resonance imaging (MRI), which is studied since 1938, is a technique used in medicine to produce high quality images from inside the human body. These images are produced non-invasively and without ionizing radiation. In addition, MRI is an extremely flexible technique, with which it is possible to produce images with different contrasts that provide different information about the anatomy, structure and function of the human body, and it is therefore one of the techniques preferred by radiologists. The phenomenon of MRI is based on the interaction of magnetic fields with the nuclear spins of the scanned sample. In this work a detailed study of the technique of magnetic resonance imaging is presented, with a description of the main features of the images produced by the technique and an analysis of its application to the fields of applications Neurology and Neuroscience

Resonancia Magnética Nuclear aplicada al estudio de nuevos sistemas farmacéuticos y biológicos, complejos poliméricos y conjuntos de espines modelo. Nuclear Magnetic Resonance applied to the study of new pharmaceutical and biological systems, polymeric complexes and model spin clusters.

El presente proyecto plantea utilizar integralmente la técnica de Resonancia Magnética Nuclear en sólidos como un medio experimental que permite entender fenómenos de la física fundamental, como así también realizar aplicaciones de interés en el campo de la química, los desarrollos farmacéuticos y la biología. Novedosas técnicas experimentales serán empleadas, en conjunción con otras más tradicionales, en la caracterización de nuevas estructuras poliméricas acomplejadas a metales, membranas biológicas y compuestos de interés farmacéutico en vías de desarrollo, los cuales presentan el fenómeno de polimorfismo . Esto se llevará a cabo complementando los resultados de RMN en sólidos con técnicas tanto espectroscópicas como analíticas (Infrarrojo, Difracción de Rayos X, Calorimetría, RMN en solución) y trabajo interdisciplinario. Paralelamente al desarrollo de estos temas, profundizaremos mediante investigación básica, en la compresión de la dinámica cuántica y el surgimiento de la irreversibilidad en sistemas de espines nucleares. Observaremos en particular la generación, evolución y control de las coherencias cuánticas múltiples en sistemas cuánticos abiertos, lo cual nos da información sobre tamaño de clusters de espines. Esto permitirá la correcta implementación de secuencias de pulsos sofisticadas, como así también desarrollar nuevos métodos de medición aplicados a la caracterización estructural y a la dinámica molecular de sólidos complejos. Debemos resaltar que este proyecto está conectado con aspectos tanto básicos como aplicados de la RMN en sólidos como técnica experimental, la cual se desarrolla en el país únicamente en FaMAF-UNC. Se nutre además de trabajo multidisciplinario promoviendo la colaboración con investigadores y becarios de distintas áreas (física, química, farmacia, biología) provenientes de distintos puntos del país. Finalmente podemos afirmar que este plan impulsa la aplicación de la física básica proyectada a diferentes áreas del conocimiento, en el ámbito de la provincia de Córdoba. The aim of the present proyect is to use Nuclear Magnetic Resonance (NMR) as a complete techique that allows the understanding of fundamental physics phenomena and, at the same time, it leads to important applications in the fields of chemistry, pharmaceutical developments and biology. New experiments will be used together with traditional ones, in the characterization of new metal-polymer complexes, biological membranes and pharmaceutical compounds, some of them presenting polymorfism. NMR experiments will be complemented with diverse spectroscopic and analytical techniques: Infrared, X ray Diffraction, Thermal Analysis, solution NMR, as well as multidisciplinary investigation. Additionally, the present proyect plans to study in depth several aspects of quantum dynamics phenomena and decoherence in nuclear spin systems. The present proyect is connected with basic and applied aspects of the solid state NMR technique, developed in our country, only at FaMAF-UNC. It is is composed by multidisciplinary work and it promotes the collaboration with researchers and students coming from different fields (physics, chemistry, pharmaceutical developments, biology) and different points of our country.

Study of spin polarized nuclear matter and finite nuclei with finite range simple effective interaction

The properties of spin polarized pure neutron matter and symmetric nuclear matter are studied using the finite range simple effective interaction, upon its parametrization revisited. Out of the total twelve parameters involved, we now determine ten of them from nuclear matter, against the nine parameters in our earlier calculation, as required in order to have predictions in both spin polarized nuclear matter and finite nuclei in unique manner being free from uncertainty found using the earlier parametrization. The information on the effective mass splitting in polarized neutron matter of the microscopic calculations is used to constrain the one more parameter, that was earlier determined from finite nucleus, and in doing so the quality of the description of finite nuclei is not compromised. The interaction with the new set of parameters is used to study the possibilities of ferromagnetic and antiferromagnetic transitions in completely polarized symmetric nuclear matter. Emphasis is given to analyze the results analytically, as far as possible, to elucidate the role of the interaction parameters involved in the predictions.

WRITING ELECTRONIC FERROMAGNETIC STATES IN A HIGH-TEMPERATURE PARAMAGNETIC NUCLEAR SPIN SYSTEM

In this paper, we use Nuclear Magnetic Resonance (NMR) to write electronic states of a ferromagnetic system into high-temperature paramagnetic nuclear spins. Through the control of phase and duration of radio frequency pulses, we set the NMR density matrix populations, and apply the technique of quantum state tomography to experimentally obtain the matrix elements of the system, from which we calculate the temperature dependence of magnetization for different magnetic fields. The effects of the variation of temperature and magnetic field over the populations can be mapped in the angles of spin rotations, carried out by the RF pulses. The experimental results are compared to the Brillouin functions of ferromagnetic ordered systems in the mean field approximation for two cases: the mean field is given by (i) B = B(0) + lambda M and (ii) B = B(0) + lambda M + lambda`M(3), where B(0) is the external magnetic field, and lambda, lambda` are mean field parameters. The first case exhibits second order transition, whereas the second case has first order transition with temperature hysteresis. The NMR simulations are in good agreement with the magnetic predictions.

NUCLEAR SPIN 3/2 ELECTRIC QUADRUPOLE RELAXATION AS A QUANTUM COMPUTATION PROCESS

In this work we applied a quantum circuit treatment to describe the nuclear spin relaxation. From the Redfield theory, we obtain a description of the quadrupolar relaxation as a computational process in a spin 3/2 system, through a model in which the environment is comprised by five qubits and three different quantum noise channels. The interaction between the environment and the spin 3/2 nuclei is described by a quantum circuit fully compatible with the Redfield theory of relaxation. Theoretical predictions are compared to experimental data, a short review of quantum channels and relaxation in NMR qubits is also present.

Nuclear magnetic relaxation for the spin-degenerate Anderson model

A renormalization-group calculation of the temperature-dependent nuclear spin relaxation rate for a magnetic impurity in a metallic host is reported. The calculation follows a simplified procedure, which produces accurate rates in the low-temperature Fermi-liquid regime, although yielding only qualitatively reliable results at higher temperatures. In all cases considered, as the temperature T diminishes, the rates peak before decaying linearly to zero in the Fermi-liquid range. For T → 0, the results agree very well with Shiba's expression relating the low-temperature coefficient of the relaxation rate to the squared zero-temperature susceptibility. In the Kondo limit, the enhanced susceptibility associated with the Kondo resonance produces a very sharp peak in the relaxation rate near the Kondo temperature. © 1991.

Ignition conditions for inertial confinement fusion targets with a nuclear spin-polarized DT fuel

The nuclear fusion cross-section is modified when the spins of the interacting nuclei are polarized. In the case of deuterium?tritium it has been theoretically predicted that the nuclear fusion cross-section could be increased by a factor d = 1.5 if all the nuclei were polarized. In inertial confinement fusion this would result in a modification of the required ignition conditions. Using numerical simulations it is found that the required hot-spot temperature and areal density can both be reduced by about 15% for a fully polarized nuclear fuel. Moreover, numerical simulations of a directly driven capsule show that the required laser power and energy to achieve a high gain scale as d-0.6 and d-0.4 respectively, while the maximum achievable energy gain scales as d0.9.

Photochemically induced nuclear spin polarization in reaction centers of photosystem II observed by 13C-solid-state NMR reveals a strongly asymmetric electronic structure of the P680.+ primary donor chlorophyll

We report 13C magic angle spinning NMR observation of photochemically induced dynamic nuclear spin polarization (photo- CIDNP) in the reaction center (RC) of photosystem II (PS2). The light-enhanced NMR signals of the natural abundance 13C provide information on the electronic structure of the primary electron donor P680 (chlorophyll a molecules absorbing around 680 nm) and on the pz spin density pattern in its oxidized form, P680⨥. Most centerband signals can be attributed to a single chlorophyll a (Chl a) cofactor that has little interaction with other pigments. The chemical shift anisotropy of the most intense signals is characteristic for aromatic carbon atoms. The data reveal a pronounced asymmetry of the electronic spin density distribution within the P680⨥. PS2 shows only a single broad and intense emissive signal, which is assigned to both the C-10 and C-15 methine carbon atoms. The spin density appears shifted toward ring III. This shift is remarkable, because, for monomeric Chl a radical cations in solution, the region of highest spin density is around ring II. It leads to a first hypothesis as to how the planet can provide itself with the chemical potential to split water and generate an oxygen atmosphere using the Chl a macroaromatic cycle. A local electrostatic field close to ring III can polarize the electronic charge and associated spin density and increase the redox potential of P680 by stabilizing the highest occupied molecular orbital, without a major change of color. This field could be produced, e.g., by protonation of the keto group of ring V. Finally, the radical cation electronic structure in PS2 is different from that in the bacterial RC, which shows at least four emissive centerbands, indicating a symmetric spin density distribution over the entire bacteriochlorophyll macrocycle.

Inelastic electron tunneling spectroscopy of a single nuclear spin

Detection of a single nuclear spin constitutes an outstanding problem in different fields of physics such as quantum computing or magnetic imaging. Here we show that the energy levels of a single nuclear spin can be measured by means of inelastic electron tunneling spectroscopy (IETS). We consider two different systems, a magnetic adatom probed with scanning tunneling microscopy and a single Bi dopant in a silicon nanotransistor. We find that the hyperfine coupling opens new transport channels which can be resolved at experimentally accessible temperatures. Our simulations evince that IETS yields information about the occupations of the nuclear spin states, paving the way towards transport-detected single nuclear spin resonance.