Role of Crystal Field in Mixed Alkali Metal Effect: Electron Paramagnetic Resonance Study of Mixed Alkali Metal Oxyfluoro Vanadate Glasses

The mixed alkali metal effect is a long-standing problem in glasses. Electron paramagnetic resonance (EPR) is used by several researchers to study the mixed alkali metal effect, but a detailed analysis of the nearest neighbor environment of the glass former using spin-Hamiltonian parameters was elusive. In this study we have prepared a series of vanadate glasses having general formula (mol %) 40 V2O5-30BaF(2)-(30 - x)LiF-xRbF with x = 5, 10, 15, 20, 25, and 30. Spin-Hamiltonian parameters of V4+ ions were extracted by simulating and fitting to the experimental spectra using EasySpin. From the analysis of these parameters it is observed that the replacement of lithium ions by rubidium ions follows a ``preferential substitution model''. Using this proposed model, we were able to account for the observed variation in the ratio of the g parameter, which goes through a maximum. This reflects an asymmetric to symmetric changeover of. the alkali metal ion environment around the vanadium site. Further, this model also accounts for the variation in oxidation state of vanadium ion, which was confirmed from the variation in signal intensity of EPR spectra.

Higher spin cosmology

We construct cosmological solutions of higher spin gravity in 2 + 1 dimensional de Sitter space. We show that a consistent thermodynamics can be obtained for their horizons by demanding appropriate holonomy conditions. This is equivalent to demanding the integrability of the Euclidean boundary conformal field theory partition function, and it reduces to Gibbons-Hawking thermodynamics in the spin-2 case. By using the prescription of Maldacena, we relate the thermodynamics of these solutions to those of higher spin black holes in AdS(3).

Higher spin entanglement entropy from CFT

We consider free fermion and free boson CFTs in two dimensions, deformed by a chemical potential mu for the spin-three current. For the CFT on the infinite spatial line, we calculate the finite temperature entanglement entropy of a single interval perturbatively to second order in mu in each of the theories. We find that the result in each case is given by the same non-trivial function of temperature and interval length. Remarkably, we further obtain the same formula using a recent Wilson line proposal for the holographic entanglement entropy, in holomorphically factorized form, associated to the spin-three black hole in SL(3, R) x SL(3, R) Chern-Simons theory. Our result suggests that the order mu(2) correction to the entanglement entropy may be universal for W-algebra CFTs with spin-three chemical potential, and constitutes a check of the holographic entanglement entropy proposal for higher spin theories of gravity in AdS(3).

Universal correction to higher spin entanglement entropy

We consider conformal field theories in 1 + 1 dimensions with W-algebra symmetries, deformed by a chemical potential mu for the spin-three current. We show that the order mu(2) correction to the Renyi and entanglement entropies of a single interval in the deformed theory, on the infinite spatial line and at finite temperature, is universal. The correction is completely determined by the operator product expansion of two spin-three currents, and by the expectation values of the stress tensor, its descendants and its composites, evaluated on the n-sheeted Riemann surface branched along the interval. This explains the recently found agreement of the order mu(2) correction across distinct free field CFTs and higher spin black hole solutions holographically dual to CFTs with W symmetry.

Fluctuation theory of Rashba Fermi gases: Gaussian and beyond

Fermi gases with generalized Rashba spin-orbit coupling induced by a synthetic gauge field have the potential of realizing many interesting states, such as rashbon condensates and topological phases. Here, we address the key open problem of the fluctuation theory of such systems and demonstrate that beyond-Gaussian effects are essential to capture the finite temperature physics of such systems. We obtain their phase diagram by constructing an approximate non-Gaussian theory. We conclusively establish that spin-orbit coupling can enhance the exponentially small transition temperature (T-c) of a weakly attracting superfluid to the order of the Fermi temperature, paving a pathway towards high T-c superfluids.

Atomistic Origin Of Rate-Dependent Serrated Plastic Flow In Metallic Glasses

Nanoindentation simulations on a binary metallic glass were performed under various strain rates by using molecular dynamics. The rate-dependent serrated plastic flow was clearly observed, and the spatiotemporal behavior of its underlying irreversible atomic rearrangement was probed. Our findings clearly validate that the serration is a temporally inhomogeneous characteristic of such rearrangements and not directly dependent on the resultant shear-banding spatiality. The unique spatiotemporal distribution of shear banding during nanoindentation is highlighted in terms of the potential energy landscape (PEL) theory.

Unconventional spin texture of a topologically nontrivial semimetal Sb(110)

9 p.

I. Application of multi-Regge theory to production processes. II. High energy model for proton-proton scattering

This dissertation consists of two parts. The first part presents an explicit procedure for applying multi-Regge theory to production processes. As an illustrative example, the case of three body final states is developed in detail, both with respect to kinematics and multi-Regge dynamics. Next, the experimental consistency of the multi-Regge hypothesis is tested in a specific high energy reaction; the hypothesis is shown to provide a good qualitative fit to the data. In addition, the results demonstrate a severe suppression of double Pomeranchon exchange, and show the coupling of two "Reggeons" to an external particle to be strongly damped as the particle's mass increases. Finally, with the use of two body Regge parameters, order of magnitude estimates of the multi-Regge cross section for various reactions are given.

The second part presents a diffraction model for high energy proton-proton scattering. This model developed by Chou and Yang assumes high energy elastic scattering results from absorption of the incident wave into the many available inelastic channels, with the absorption proportional to the amount of interpenetrating hadronic matter. The assumption that the hadronic matter distribution is proportional to the charge distribution relates the scattering amplitude for pp scattering to the proton form factor. The Chou-Yang model with the empirical proton form factor as input is then applied to calculate a high energy, fixed momentum transfer limit for the scattering cross section, This limiting cross section exhibits the same "dip" or "break" structure indicated in present experiments, but falls significantly below them in magnitude. Finally, possible spin dependence is introduced through a weak spin-orbit type term which gives rather good agreement with pp polarization data.

Spin dynamics of pulsed nuclear magnetic double resonance in solids

In the first part of this thesis, experiments utilizing an NMR phase interferometric concept are presented. The spinor character of two-level systems is explicitly demonstrated by using this concept. Following this is the presentation of an experiment which uses this same idea to measure relaxation times of off-diagonal density matrix elements corresponding to magnetic-dipole-forbidden transitions in a ^(13)C-^1H, AX spin system. The theoretical background for these experiments and the spin dynamics of the interferometry are discussed also.

The second part of this thesis deals with NMR dipolar modulated chemical shift spectroscopy, with which internuclear bond lengths and bond angles with respect to the chemical shift principal axis frame are determined from polycrystalline samples. Experiments using benzene and calcium formate verify the validity of the technique in heteronuclear (^(13)C-^1H) systems. Similar experiments on powdered trichloroacetic acid confirm the validity in homonuclear (^1H- ^1H) systems. The theory and spin dynamics are explored in detail, and the effects of a number of multiple pulse sequences are discussed.

The last part deals with an experiment measuring the ^(13)C chemical shift tensor in K_2Pt(CN)_4Br_(0.3) • 3H_2O, a one-dimensional conductor. The ^(13)C spectra are strongly affected by ^(14)N quadrupolar interactions via the ^(13)C - ^(14)N dipolar interaction. Single crystal rotation spectra are shown.

An appendix discussing the design, construction, and performance of a single-coil double resonance NMR sample probe is included.

Optical spectroscopy and energy transfer of Er3+/Ce3+ in B2O3-doped bismuth-silicate glasses

Ce3+ and B2O3 are introduced into erbium-doped Bi2O3-SiO2 glass to enhance the luminescence emission and optic spectra characters of Er3+. The energy transfer from Er3+ to Ce3+ will obviously be improved with the phonon energy increasing by the addition of B2O3. Here, the nonradiative rate, the lifetime of the I-4(11/2) -> I-4(3/2) transition, and the emission intensity and bandwidth of the 1.5 mu m luminescence with the I-4(13/2) -> I-4(5/2) transition of Er3+ are discussed in detail. The results show that the optical parameters of Er3+ in this bismuth-borate-silicate glass are nearly as good as that in tellurite glass, and the physical properties are similar to those in silicate glass. With the Judd-Ofelt and nonradiative theory analyses, the multiphonon decay and phonon-assisted energy-transfer (PAT) rates are calculated for the Er3+/Ce3+ codoped glasses. For the PAT process, an optimum value of the glass phonon energy is obtained after B2O3 is introduced into the Er3+/Ce3+ codoped bismuth-silicate glasses, and it much improves the energy-transfer rate between Er3+ I-4(11/2)-I-4(13/2) and Ce3+ F-2(5/2) -> F-2(7/2), although there is an energy mismatch. (c) 2007 Optical Society of America.

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.

I. Proton magnetic resonance of polynucleotides and transfer RNA. II. Electron spin relaxation studies of manganese (II) complexes in acetonitrile

Part I. Proton Magnetic Resonance of Polynucleotides and Transfer RNA.

Proton magnetic resonance was used to follow the temperature dependent intramolecular stacking of the bases in the polynucleotides of adenine and cytosine. Analysis of the results on the basis of a two state stacked-unstacked model yielded values of -4.5 kcal/mole and -9.5 kcal/mole for the enthalpies of stacking in polyadenylic and polycytidylic acid, respectively.

The interaction of purine with these molecules was also studied by pmr. Analysis of these results and the comparison of the thermal unstacking of polynucleotides and short chain nucleotides indicates that the bases contained in stacks within the long chain poly nucleotides are, on the average, closer together than the bases contained in stacks in the short chain nucleotides.

Temperature and purine studies were also carried out with an aqueous solution of formylmethionine transfer ribonucleic acid. Comparison of these results with the results of similar experiments with the homopolynucleotides of adenine, cytosine and uracil indicate that the purine is probably intercalating into loop regions of the molecule.

The solvent denaturation of phenylalanine transfer ribonucleic acid was followed by pmr. In a solvent mixture containing 83 volume per cent dimethylsulf oxide and 17 per cent deuterium oxide, the tRNA molecule is rendered quite flexible. It is possible to resolve resonances of protons on the common bases and on certain modified bases.

Part II. Electron Spin Relaxation Studies of Manganese (II) Complexes in Acetonitrile.

The electron paramagnetic resonance spectra of three Mn⁺² complexes, [Mn(CH₃CN)₆]⁺², [MnCl₄]^-2, and [MnBr₄]^-2, in acetonitrile were studied in detail. The objective of this study was to relate changes in the effective spin Hamiltonian parameters and the resonance line widths to the structure of these molecular complexes as well as to dynamical processes in solution.

Of the three systems studied, the results obtained from the [Mn(CH₃CN)₆]⁺² system were the most straight-forward to interpret. Resonance broadening attributable to manganese spin-spin dipolar interactions was observed as the manganese concentration was increased.

In the [MnCl₄]^-2 system, solvent fluctuations and dynamical ion-pairing appear to be significant in determining electron spin relaxation.

In the [MnBr₄]^-2 system, solvent fluctuations, ion-pairing, and Br- ligand exchange provide the principal means of electron spin relaxation. It was also found that the spin relaxation in this system is dependent upon the field strength and is directly related to the manganese concentration. A relaxation theory based on a two state collisional model was developed to account for the observed behavior.

Spin-related phenomena in magnetic and spin-orbit couppled bose-einstein condensates

129 p.

Analysis on the spin reorientation of GdFeCo/DyFeCo exchange-coupled double-layer films

In this paper, GdFeCo/DyFeCo exchange-coupled double-layer films used for center aperture type magnetically induced super resolution were investigated through experiments and theoretical calculation. The samples were prepared by magnetron sputtering method. The polar Kerr effect was measured to prove the spin reorientation of the readout layer. Theoretical study of magnetization profiles was performed on the basis of the mean-field theory and the continuum model. The theoretical results showed that the magnetization orientation of the readout layer changed gradually from in-plane to out-of-plane with the rise of the temperature. Theoretical analysis explained the experimental results successfully. (c) 2005 Elsevier B.V. All rights reserved.

Efeito da competição entre a supercondutividade e as insinstabilidades de Pomeranchuk no canal de spin

Nós estudamos a competição entre a instabilidade de Pomeranchuk no canal de spin com momento angular l=1 e uma interação atrativa, favorecendo a formação de um par de Cooper. Achamos, numa aproximação de campo médio, uma forte supressão da instabilidade de Pomeranchuk via supercondutividade. Além disso, identificamos uma fase supercondutora metaestável com características semelhantes ao estado FFLO. Um líquido de Fermi é, com exceção de uma dimensão, um estado muito estável da matéria. Por outro lado dois tipos de instabilidades, relacionadas com interações atrativas, são conhecidas: Instabilidades Pomeranchuk e supercondutora. As instabilidades Pomeranchuk ocorrem na presença da interação de dois corpos contendo uma forte componente atrativa no canal de espalhamento para frente com momento angular definido. No contexto da teoria de Landau, a instabilidade ocorre quando um ou mais parâmetros admensionais de Landau nos canais de spin ou carga, adquirem altos valores negativos. As instabilidades Pomeranchuk no setor de carga quebram a simetria de rotação. Em particular, uma instabilidade em alguns canais produz uma deformação elipsoidal na superfície de Fermi.