Electronic, magnetic, and vibrational properties of the molecular magnet Mn4 monomer and dimer

A new type of the single-molecule magnet [Mn_4 O_3 Cl_4 (O_2 CEt)_3(py)_3] forms dimers. Recent magnetic hysteresis measurements on this single-molecular magnet revealed interesting phenomena: an absence of quantum tunneling at zero magnetic field and tunneling before magnetic field reversal. This is attributed to a significant antiferromagnetic exchange interaction between different monomers. To investigate this system, we calculate the electronic structure, magnetic properties, intramolecular and intermolecular exchange interactions using density-functional theory within the generalized-gradient approximation. Our calculations agree with experiment. We also calculate vibrational infrared absorption and Raman scattering intensities for the monomer which can be tested experimentally.Comment: submitted to Journal of Physics and Chemistry of Solid

Temperature-induced pair correlations in clusters and nuclei

The pair correlations in mesoscopic systems such as $nm$-size superconducting clusters and nuclei are studied at finite temperature for the canonical ensemble of fermions in model spaces with a fixed particle number: i) a degenerate spherical shell (strong coupling limit), ii) an equidistantly spaced deformed shell (weak coupling limit). It is shown that after the destruction of the pair correlations at T=0 by a strong magnetic field or rapid rotation, heating can bring them back. This phenomenon is a consequence of the fixed number of fermions in the canonical ensemble

Cytokine profiles in bronchoalveolar lavage fluid and blood in HIV-seronegative patients with Pneumocystis carinii pneumonia

Contains fulltext : 23621___.pdf (publisher's version ) (Open Access

High frequency resonant experiments in Fe8_8 molecular clusters

Precise resonant experiments on Fe$_{8}$ magnetic clusters have been conducted down to 1.2 K at various tranverse magnetic fields, using a cylindrical resonator cavity with 40 different frequencies between 37 GHz and 110 GHz. All the observed resonances for both single crystal and oriented powder, have been fitted by the eigenstates of the hamiltonian ${\cal H}=-DS_z^2+ES_x^2-g\mu_B{\bf H}\cdot {\bf S}$. We have identified the resonances corresponding to the coherent quantum oscillations for different orientations of spin S = 10.Comment: to appear in Phys.Rev. B (August 2000

TMS-evoked EEG potentials demonstrate altered cortical excitability in migraine with aura

Migraine is associated with altered sensory processing, that may be evident as changes in cortical responsivity due to altered excitability, especially in migraine with aura. Cortical excitability can be directly assessed by combining transcranial magnetic stimulation with electroencephalography (TMS-EEG). We measured TMS evoked potential (TEP) amplitude and response consistency as these measures have been linked to cortical excitability but were not yet reported in migraine. We recorded 64-channel EEG during single-pulse TMS on the vertex interictally in 10 people with migraine with aura and 10 healthy controls matched for age, sex and resting motor threshold. On average 160 pulses around resting motor threshold were delivered through a circular coil in clockwise and counterclockwise direction. Trial-averaged TEP responses, frequency spectra and phase clustering (over the entire scalp as well as in frontal, central and occipital midline electrode clusters) were compared between groups, including comparison to sham-stimulation evoked responses. Migraine and control groups had a similar distribution of TEP waveforms over the scalp. In migraine with aura, TEP responses showed reduced amplitude around the frontal and occipital N100 peaks. For the migraine and control groups, responses over the scalp were affected by current direction for the primary motor cortex, somatosensory cortex and sensory association areas, but not for frontal, central or occipital midline clusters. This study provides evidence of altered TEP responses in-between attacks in migraine with aura. Decreased TEP responses around the N100 peak may be indicative of reduced cortical GABA-mediated inhibition and expand observations on enhanced cortical excitability from earlier migraine studies using more indirect measurements

Random Matrix Model for Superconductors in a Magnetic Field

We introduce a random matrix ensemble for bulk type-II superconductors in the mixed state and determine the single-particle excitation spectrum using random matrix theory. The results are compared with planar tunnel junction experiments in PbBi thin films. More low energy states appear than in the Abrikosov-Gor'kov-Maki or Ginzburg-Landau descriptions, consistent with observations.Comment: 4 pages, 1 postscript figure, to appear in Phys. Rev. Let

Characterization of the S = 9 excited state in Fe8Br8 by Electron Paramagnetic Resonance

High Frequency electron paramagnetic resonance has been used to observe the magnetic dipole, $\Delta$ M$_s$ = $\pm$ 1, transitions in the $S = 9$ excited state of the single molecule magnet Fe$_8$Br$_8$. A Boltzmann analysis of the measured intensities locates it at 24 $\pm$ 2 K above the $S = 10$ ground state, while the line positions yield its magnetic parameters D = -0.27 K, E = $\pm$0.05 K, and B$_4^0$ = -1.3$\times$ 10$^{-6}$ K. D is thus smaller by 8% and E larger by 7% than for $S = 10$. The anisotropy barrier for $S = 9$ is estimated as 22 K,which is 25% smaller than that for $S = 10$ (29 K). These data also help assign the spin exchange constants(J's) and thus provide a basis for improved electronic structure calculations of Fe$_8$Br$_8$.Comment: 7 pages, Figs included in text, submitted to PR

Thermodynamic properties of a small superconducting grain

The reduced BCS Hamiltonian for a metallic grain with a finite number of electrons is considered. The crossover between the ultrasmall regime, in which the level spacing, $d$, is larger than the bulk superconducting gap, $\Delta$, and the small regime, where $\Delta \gtrsim d$, is investigated analytically and numerically. The condensation energy, spin magnetization and tunneling peak spectrum are calculated analytically in the ultrasmall regime, using an approximation controlled by $1/\ln N$ as small parameter, where $N$ is the number of interacting electron pairs. The condensation energy in this regime is perturbative in the coupling constant $\lambda$, and is proportional to $d N \lambda^2 = \lambda^2 \omega_D$. We find that also in a large regime with $\Delta>d$, in which pairing correlations are already rather well developed, the perturbative part of the condensation energy is larger than the singular, BCS, part. The condition for the condensation energy to be well approximated by the BCS result is found to be roughly $\Delta > \sqrt{d \omega_D}$. We show how the condensation energy can, in principle, be extracted from a measurement of the spin magnetization curve, and find a re-entrant susceptibility at zero temperature as a function of magnetic field, which can serve as a sensitive probe for the existence of superconducting correlations in ultrasmall grains. Numerical results are presented which suggest that in the large $N$ limit the 1/N correction to the BCS result for the condensation energy is larger than $\Delta$.Comment: 17 pages, 7 figures, Submitted to Phys. Rev.

Effects of Spin-Orbit Interactions on Tunneling via Discrete Energy Levels in Metal Nanoparticles

The presence of spin-orbit scattering within an aluminum nanoparticle affects measurements of the discrete energy levels within the particle by (1) reducing the effective g-factor below the free-electron value of 2, (2) causing avoided crossings as a function of magnetic field between predominantly-spin-up and predominantly-spin-down levels, and (3) introducing magnetic-field-dependent changes in the amount of current transported by the tunneling resonances. All three effects can be understood in a unified fashion by considering a simple Hamiltonian. Spin-orbit scattering from 4% gold impurities in superconducting aluminum nanoparticles produces no dramatic effect on the superconducting gap at zero magnetic field, but we argue that it does modify the nature of the superconducting transition in a magnetic field.Comment: 10 pages, 5 figures. Submitted to Phys. Rev.