von Neumann spin measurements with Rashba fields

We show that dynamics in the spin-orbit coupling field simulate the von Neumann measurement of a particle spin. We demonstrate how the measurement influences the spin and coordinate evolution of a particle by comparing two examples of such a procedure. The first example is a simultaneous measurement of spin components, sigma(x) and sigma(y), corresponding to non-commuting operators, which cannot be accurately obtained together at a given time instant due to the Heisenberg uncertainty ratio. By mapping spin dynamics onto a spatial walk, such a procedure determines measurement-time averages of sigma(x) and sigma(y), which can already be precisely evaluated in a single short-time measurement. The other, qualitatively different, example is the spin of a one-dimensional particle in a magnetic field. Here, the measurement outcome depends on the angle between the spin-orbit coupling and magnetic fields. These results can be applied to studies of spin-orbit coupled cold atoms and electrons in solids.

A free relativistic anyon with canonical spin algebra

We discuss a relativistic free particle with fractional spin in 2+1 dimensions, where the dual spin components satisfy the canonical angular momentum algebra {Sμ, Sν} = εμνγSγ. It is shown that it is a general consequence of these features that the Poincaré invariance is broken down to the Lorentz one, so indicating that it is not possible to keep simultaneously the free nature of the anyon and the translational invariance.

Computer simulation studies of vector spin glasses

Die vorliegende Doktorarbeit befasst sich mit klassischen Vektor-Spingläsern eine Art von ungeordneten Magneten - auf verschiedenen Gittertypen. Da siernbedeutsam für eine experimentelle Realisierung sind, ist ein theoretisches Verständnis von Spinglas-Modellen mit wenigen Spinkomponenten und niedriger Gitterdimension von großer Bedeutung. Da sich dies jedoch als sehr schwierigrnerweist, sind neue, aussichtsreiche Ansätze nötig. Diese Arbeit betrachtet daher den Limesrnunendlich vieler Spindimensionen. Darin entstehen mehrere Vereinfachungen im Vergleichrnzu Modellen niedriger Spindimension, so dass für dieses bedeutsame Problem Eigenschaften sowohl bei Temperatur Null als auch bei endlichen Temperaturenrnüberwiegend mit numerischen Methoden ermittelt werden. Sowohl hyperkubische Gitter als auch ein vielseitiges 1d-Modell werden betrachtet. Letzteres erlaubt es, unterschiedliche Universalitätsklassen durch bloßes Abstimmen eines einzigen Parameters zu untersuchen. "Finite-size scaling''-Formen, kritische Exponenten, Quotienten kritischer Exponenten und andere kritische Größen werden nahegelegt und mit numerischen Ergebnissen verglichen. Eine detaillierte Beschreibung der Herleitungen aller numerisch ausgewerteter Gleichungen wird ebenso angegeben. Bei Temperatur Null wird eine gründliche Untersuchung der Grundzustände und Defektenergien gemacht. Eine Reihe interessanter Größen wird analysiert und insbesondere die untere kritische Dimension bestimmt. Bei endlicher Temperatur sind der Ordnungsparameter und die Spinglas-Suszeptibilität über die numerisch berechnete Korrelationsmatrix zugänglich. Das Spinglas-Modell im Limes unendlich vieler Spinkomponenten kann man als Ausgangspunkt zur Untersuchung der natürlicheren Modelle mit niedriger Spindimension betrachten. Wünschenswert wäre natürlich ein Modell, das die Vorteile des ersten mit den Eigenschaften des zweiten verbände. Daher wird in Modell mit Anisotropie vorgeschlagen und getestet, mit welchem versucht wird, dieses Ziel zu erreichen. Es wird auf reizvolle Wege hingewiesen, das Modell zu nutzen und eine tiefergehende Beschäftigung anzuregen. Zuletzt werden sogenannte "real-space" Renormierungsgruppenrechnungen sowohl analytisch als auch numerisch für endlich-dimensionale Vektor-Spingläser mit endlicher Anzahl von Spinkomponenten durchgeführt. Dies wird mit einer zuvor bestimmten neuen Migdal-Kadanoff Rekursionsrelation geschehen. Neben anderen Größen wird die untere kritische Dimension bestimmt.

Spin and spatial dynamics in electron-impact scattering off S-wave He using R-matrix with Time-Dependence theory

R-matrix with time-dependence theory is applied to electron-impact ionisation processes for He in the S-wave model. Cross sections for electron-impact excitation, ionisation and ionisation with excitation for impact energies between 25 and 225 eV are in excellent agreement with benchmark cross sections. Ultra-fast dynamics induced by a scattering event is observed through time-dependent signatures associated with autoionisation from doubly excited states. Further insight into dynamics can be obtained through examination of the spin components of the time-dependent wavefunction.

Self-trapping of Fermi and Bose gases under spatially modulated repulsive nonlinearity and transverse confinement

We show that self-localized ground states can be created in the spin-balanced gas of fermions with repulsion between the spin components, whose strength grows from the center to periphery, in combination with the harmonic-oscillator (HO) trapping potential acting in one or two transverse directions. We also consider the ground state in the noninteracting Fermi gas under the action of the spatially growing tightness of the one- or two-dimensional (1D or 2D) HO confinement. These settings are considered in the framework of the Thomas-Fermi-von Weizsäcker (TF-vW) density functional. It is found that the vW correction to the simple TF approximation (the gradient term) is nearly negligible in all situations. The properties of the ground state under the action of the 2D and 1D HO confinement with the tightness growing in the transverse directions are investigated too for the Bose-Einstein condensate with the self-repulsive nonlinearity. © 2013 American Physical Society.

Semi-analytical study of the rotational motion stability of artificial satellites using quaternions

This study at aims performing the stability analysis of the rotational motion to artificial satellites using quaternions to describe the satellite attitude (orientation on the space). In the system of rotational motion equations, which is composed by four kinematic equations of the quaternions and by the three Euler equations in terms of the rotational spin components. The influence of the gravity gradient and the direct solar radiation pressure torques have been considered. Equilibrium points were obtained through numerical simulations using the softwares Matlab and Octave, which are then analyzed by the Routh-Hurwitz Stability Criterion.

Coherence transfer via longitudinal spin order generalized pulse pair filtering for pure phase two-dimensional NMR spectroscopy

A generalized pulse pair has been suggested in which the longitudinal spin order is retained and the transverse components cancelled by random variation of the interval between pulses, in successive applications of the two-dimensional NMR algorithm. This method leads to pure phases and has been exploited to provide a simpler scheme for two-spin filtering and for pure phase spectroscopy in multiple-quantum-filtered two-dimensional NMR experiments.

An electron-spin-resonance study of MN2+ doped calcium hydrazine carboxylate monohydrate

Single crystals of calcium hydrazine carboxylate, monohydrate have been studied by ESR of Mn2+ doped in the calcium sites. X-band ESR indicated a large crystal field splitting necessitating experiments at Q band. The analysis shows two magnetically inequivalent (but chemically equivalent) sites with g(xx) = 2.0042+/-0.0038, g(yy) = 2.0076 +/-00029, g(zz) =2.0314+/-0.001, A(zz) = 0.0099+/-0.0002 cm(-1), A(xx) = 0.0099+/-0.0002 cm(-1), A(yy) = 0.0082+/-0.0002cm(-1), D = 3/2D(zz) = 0.0558+/-0.0006cm(-1), and E = 1/2(D-xx-D-yy) = 0.0127+/-0.0002 cm(-1).One of the principal components of the crystal field, (D-zz), is found to be along the Ca<->Ca direction in the structure and a second one, (D-xx), along the perpendicular to the plane of the triangle formed by three neighbouring calciums. The A tensor is found to have an orientation different from that of the g and D tensors reflecting the low symmetry of the Ca2+ sites.

Non-Fermi liquid behavior in a mean-field study of the t-J model: Role of zero-point spin fluctuations

We present analytic results to show that the Schwinger-boson hole-fermion mean-field state exhibits non-Fermi liquid behavior due to spin-charge separation. The physical electron Green's function consists of three additive components. (a) A Fermi-liquid component associated with the bose condensate. (b) A non-Fermi liquid component which has a logarithmic peak and a long tail that gives rise to a linear density of states that is symmetric about the Fermi level and a momentum distribution function with a logarithmic discontinuity at the Fermi surface. (c) A second non-Fermi liquid component associated with the thermal bosons which leads to a constant density of states. It is shown that zero-point fluctuations associated with the spin-degrees of freedom are responsible for the logarithmic instabilities and the restoration of particle-hole symmetry close to the Fermi surface.

I. Nuclear spin-internal-rotation-coupling. II. Fluorine spin-rotation interaction and magnetic shielding in fluorobenzene

Part I.

The interaction of a nuclear magnetic moment situated on an internal top with the magnetic fields produced by the internal as well as overall molecular rotation has been derived following the method of Van Vleck for the spin-rotation interaction in rigid molecules. It is shown that the Hamiltonian for this problem may be written

H_SR = Ῑ · M · Ĵ + Ῑ · M” · Ĵ”

Where the first term is the ordinary spin-rotation interaction and the second term arises from the spin-internal-rotation coupling.

The F¹⁹ nuclear spin-lattice relaxation time (T₁) of benzotrifluoride and several chemically substituted benzotrifluorides, have been measured both neat and in solution, at room temperature by pulsed nuclear magnetic resonance. From these experimental results it is concluded that in benzotrifluoride the internal rotation is crucial to the spin relaxation of the fluorines and that the dominant relaxation mechanism is the fluctuating spin-internal-rotation interaction.

Part II.

The radiofrequency spectrum corresponding to the reorientation of the F¹⁹ nuclear moment in flurobenzene has been studied by the molecular beam magnetic resonance method. A molecular beam apparatus with an electron bombardment detector was used in the experiments. The F¹⁹ resonance is a composite spectrum with contributions from many rotational states and is not resolved. A detailed analysis of the resonance line shape and width by the method of moments led to the following diagonal components of the fluorine spin-rotational tensor in the principal inertial axis system of the molecule:

F/Caa = -1.0 ± 0.5 kHz

F/Cbb = -2.7 ± 0.2 kHz

F/Ccc = -1.9 ± 0.1 kHz

From these interaction constants, the paramagnetic contribution to the F¹⁹ nuclear shielding in C₆H₅F was determined to be -284 ± ppm. It was further concluded that the F¹⁹ nucleus in this molecule is more shielded when the applied magnetic field is directed along the C-F bond axis. The anisotropy of the magnetic shielding tensor, σ_” - σ_⊥, is +160 ± 30 ppm.

Part I. Approximate Hartree-Fock wavefunctions one-electron properties and electronic structure of the water molecule. Part II. Perturbation-variational calculation of the nuclear spin-spin isotope coupling constant in HD

Part I

Several approximate Hartree-Fock SCF wavefunctions for the ground electronic state of the water molecule have been obtained using an increasing number of multicenter s, p, and d Slater-type atomic orbitals as basis sets. The predicted charge distribution has been extensively tested at each stage by calculating the electric dipole moment, molecular quadrupole moment, diamagnetic shielding, Hellmann-Feynman forces, and electric field gradients at both the hydrogen and the oxygen nuclei. It was found that a carefully optimized minimal basis set suffices to describe the electronic charge distribution adequately except in the vicinity of the oxygen nucleus. Our calculations indicate, for example, that the correct prediction of the field gradient at this nucleus requires a more flexible linear combination of p-orbitals centered on this nucleus than that in the minimal basis set. Theoretical values for the molecular octopole moment components are also reported.

Part II

The perturbation-variational theory of R. M. Pitzer for nuclear spin-spin coupling constants is applied to the HD molecule. The zero-order molecular orbital is described in terms of a single 1s Slater-type basis function centered on each nucleus. The first-order molecular orbital is expressed in terms of these two functions plus one singular basis function each of the types e^-r/r and e^-r ln r centered on one of the nuclei. The new kinds of molecular integrals were evaluated to high accuracy using numerical and analytical means. The value of the HD spin-spin coupling constant calculated with this near-minimal set of basis functions is J_HD = +96.6 cps. This represents an improvement over the previous calculated value of +120 cps obtained without using the logarithmic basis function but is still considerably off in magnitude compared with the experimental measurement of J_HD = +43 0 ± 0.5 cps.

Spin splitting of conduction subbands in Al0.3Ga0.7As/GaAs/AlxGa1-x As/Al0.3Ga0.7As step quantum wells

By means of the transfer matrix technique, interface-induced Rashba spin splitting of conduction subbands in Al0.3Ga0.7As/GaAs/AlxGa1-xAs/Al0.3Ga0.7As step quantum wells which contain internal structure inversion asymmetry introduced by the insertion of AlxGa1-xAs step potential is investigated theoretically in the absence of electric field and magnetic field. The dependence of spin splitting on the well width, step width and Al concentration is investigated in detail. We find that the sign of the first excited subband spin splitting changes with well width and step width, and is opposite to that of the ground subband under certain conditions. The sign and strength of the spin splitting are shown to be sensitive to the components of the envelope function at three interfaces. Copyright (C) EPLA, 2009

Spin Hall effect on the kagome lattice with Rashba spin-orbit interaction

We study the spin Hall effect in the kagome lattice with Rashba spin-orbit coupling. The conserved spin Hall conductance sigma(s)(xy) (see text) and its two components, i.e., the conventional term sigma(s0)(xy) and the spin-torque-dipole term sigma(s tau)(xy), are numerically calculated, which show a series of plateaus as a function of the electron Fermi energy epsilon(F). A consistent two-band analysis, as well as a Berry-phase interpretation, is also given. We show that these plateaus are a consequence of various Fermi-surface topologies when tuning epsilon(F). In particular, we predict that compared to the case with the Fermi surface encircling the Gamma point in the Brillouin zone, the amplitude of the spin Hall conductance with the Fermi surface encircling the K points is twice enhanced, which makes it highly meaningful in the future to systematically carry out studies of the K-valley spintronics.

Studies on principal components and antioxidant activity of different Radix Astragali samples using high-performance liquid chromatography/electrospray ionization multiple-stage tandem mass spectrometry

The principal components, isoflavonoids and astragalosides, in the extract of Radix Astragali were detected by a high-performance liquid chromatography Couple to electrospray ionization ion trap multiple-stage tandem mass spectrometry (HPLC-ESI-IT-MSn) method. By comparing the retention time (t(R)) of HPLC, the ESI-MSn data and the structures of analyzed Compounds with the data of reference compounds and in the literature, 17 isoflavonoids and 12 astragalosides have been identified or tentatively deduced. By Virtue of the extracted ion chromatogram (EIC) mode, simultaneous determination of isoflavonoids and astragalosides could be achieved when the different components formed overlapped peaks. And this method has been utilized to analyze the constituents in extracts of Radix Astragali from Helong City and of different growth years. Then the antioxidant activity of different samples has been Successfully investigated by HPLC-ESI-MS method in multiple selected ion monitoring(MIM) mode, applying the spin trapping technology, and the Ferric Reducing Antioxidant Power (FRAP) assay was applied to support the result.

Curricular training report: pharmaceutical industry & spin-off company

O presente relatório expõe as atividades desenvolvidas durante o estágio curricular, frequentado na Bluepharma - Indústria Farmacêutica S.A. e na TREAT U, Lda. uma Spin-off da Universidade de Coimbra, no âmbito do Mestrado em Biomedicina Farmacêutica da Universidade de Aveiro. Esta foi uma experiência de 6 meses que teve duas componentes, uma multidisciplinar e outra monodisciplinar, as quais me permitiram desenvolver os conhecimentos e aptidões adquiridas ao longo do curso de mestrado e de as aplicar ao mundo real. Para além do desenvolvimento de competências profissionais, esta experiência possibilitou também a aquisição e desenvolvimento de várias aptidões, quer a nível pessoal como social. Nos primeiros dois meses desta minha experiência adquiri um conhecimento essencialmente teórico em várias áreas da indústria farmacêutica (financeira, desenvolvimento de negócio, assuntos regulamentares, investigação e desenvolvimento de medicamentos, garantia da qualidade, etc.) através da minha passagem pela Bluepharma. De seguida, na minha experiência de quatro meses na TREAT U, foi-me dada a oportunidade de realizar de forma mais independente, as funções inerentes ao cargo de assistente da gerência, com especial enfoque para atividades de gestão de projeto (incluindo assuntos regulamentares), tais como, apoio na preparação do plano de desenvolvimento não clínico e na preparação do pedido de aconselhamento científico. Este relatório começa assim por descrever os objectivos do estágio e uma breve descrição das instituições que me acolheram para a sua realização. De seguida, os conhecimentos adquiridos na vertente multidisciplinar do estágio e depois as atividades desenvolvidas no âmbito monodisciplinar. Por fim, apresenta uma análise das dificuldades e desafios encontrados bem como os esforços realizados para os ultrapassar.