Sensitivity of the photo-physical properties of organometallic complexes to small chemical changes

We investigate an effective model Hamiltonian for organometallic complexes that are widely used in optoelectronic devices. The two most important parameters in the model are $J$, the effective exchange interaction between the $\pi$ and $\pi^*$ orbitals of the ligands, and $\epsilon^*$, the renormalized energy gap between the highest occupied orbitals on the metal and on the ligand. We find that the degree of metal-to-ligand charge transfer (MLCT) character of the lowest triplet state is strongly dependent on the ratio $\epsilon^*/J$. $\epsilon^*$ is purely a property of the complex and can be changed significantly by even small variations in the complex's chemistry, such as replacing substituents on the ligands. We find that that small changes in $\epsilon^*/J$ can cause large changes in the properties of the complex, including the lifetime of the triplet state and the probability of injected charges (electrons and holes) forming triplet excitations. These results give some insight into the observed large changes in the photophysical properties of organometallic complexes caused by small changes in the ligands.Comment: Accepted for publication in J. Chem. Phys. 14 pages, 9 figures, Supplementary Info: 15 pages, 17 figure

Evidence from satellite altimetry for small-scale convection in the mantle

Small scale convection can be defined as that part of the mantle circulation in which upwellings and downwellings can occur beneath the lithosphere within the interiors of plates, in contrast to the large scale flow associated with plate motions where upwellings and downwellings occur at ridges and trenches. The two scales of convection will interact so that the form of the small scale convection will depend on how it arises within the large scale flow. Observations based on GEOS-3 and SEASAT altimetry suggest that small scale convection occurs in at least two different ways

Ferromagnetism, paramagnetism and a Curie-Weiss metal in an electron doped Hubbard model on a triangular lattice

Motivated by the unconventional properties and rich phase diagram of NaxCoO2 we consider the electronic and magnetic properties of a two-dimensional Hubbard model on an isotropic triangular lattice doped with electrons away from half-filling. Dynamical mean-field theory (DMFT) calculations predict that for negative inter-site hopping amplitudes (t<0) and an on-site Coulomb repulsion, U, comparable to the bandwidth, the system displays properties typical of a weakly correlated metal. In contrast, for t>0 a large enhancement of the effective mass, ferromagnetism and a Curie-Weiss magnetic susceptibility are found in a broad electron doping range. Our observation of Nagaoka ferromagnetism is consistent with the A-type antiferromagnetism (i.e. ferromagnetic layers stacked antiferromagnetically) observed in neutron scattering experiments on NaxCoO2. We propose that `Curie-Weiss metal' phase observed in NaxCoO2 is a consequence of the crossover from ``bad metal'' with incoherent quasiparticles at temperatures T>T* and Fermi liquid behavior with enhanced parameters below T*, where T* is a low energy coherence scale induced by strong local Coulomb electron correlations. We propose a model which contains the charge ordering phenomena observed in the system which, we propose, drives the system close to the Mott insulating phase even at large dopings.Comment: 24 pages, 15 figures; accepted for publication in Phys. Rev.

Temperature Dependence of the Magnetic Susceptibility for Triangular-Lattice Antiferromagnets with spatially anisotropic exchange constants

We present the temperature dependence of the uniform susceptibility of spin-half quantum antiferromagnets on spatially anisotropic triangular-lattices, using high temperature series expansions. We consider a model with two exchange constants, $J_1$ and $J_2$ on a lattice that interpolates between the limits of a square-lattice ($J_1=0$), a triangular-lattice ($J_2=J_1$), and decoupled linear chains ($J_2=0$). In all cases, the susceptibility which has a Curie-Weiss behavior at high temperatures, rolls over and begins to decrease below a peak temperature, $T_p$. Scaling the exchange constants to get the same peak temperature, shows that the susceptibilities for the square-lattice and linear chain limits have similar magnitudes near the peak. Maximum deviation arises near the triangular-lattice limit, where frustration leads to much smaller susceptibility and with a flatter temperature dependence. We compare our results to the inorganic materials Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$ and to a number of organic molecular crystals. We find that the former (Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$) are weakly frustrated and their exchange parameters determined through the temperature dependence of the susceptibility are in agreement with neutron-scattering measurements. In contrast, the organic materials are strongly frustrated with exchange parameters near the isotropic triangular-lattice limit.Comment: 10 pages, 9 figures and 1 table, revised versio

Quantum Entanglement in the Two Impurity Kondo Model

In order to quantify quantum entanglement in two impurity Kondo systems, we calculate the concurrence, negativity, and von Neumann entropy. The entanglement of the two Kondo impurities is shown to be determined by two competing many-body effects, the Kondo effect and the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, $I$. Due to the spin-rotational invariance of the ground state, the concurrence and negativity are uniquely determined by the spin-spin correlation between the impurities. It is found that there exists a critical minimum value of the antiferromagnetic correlation between the impurity spins which is necessary for entanglement of the two impurity spins. The critical value is discussed in relation with the unstable fixed point in the two impurity Kondo problem. Specifically, at the fixed point there is no entanglement between the impurity spins. Entanglement will only be created (and quantum information processing (QIP) be possible) if the RKKY interaction exchange energy, $I$, is at least several times larger than the Kondo temperature, $T_K$. Quantitative criteria for QIP are given in terms of the impurity spin-spin correlation.Comment: 7 pages, 3 figures, 1 tabl

Observations of the structure and evolution of solar flares with a soft X-ray telescope

Soft X ray flare events were observed with the S-056 X-ray telescope that was part of the ATM complement of instruments aboard SKYLAB. Analyses of these data are reported. The observations are summarized and a detailed discussion of the X-ray flare structures is presented. The data indicated that soft X-ray emitted by a flare come primarily from an intense well-defined core surrounded by a region of fainter, more diffuse emission. An analysis of flare evolution indicates evidence for preliminary heating and energy release prior to the main phase of the flare. Core features are found to be remarkably stable and retain their shape throughout a flare. Most changes in the overall configuration seem to be result of the appearance, disappearance or change in brightness of individual features, rather than the restructuring or reorientation of these features. Brief comparisons with several theories are presented

A current driven instability in parallel, relativistic shocks

Recently, Bell has reanalysed the problem of wave excitation by cosmic rays propagating in the pre-cursor region of a supernova remnant shock front. He pointed out a strong, non-resonant, current-driven instability that had been overlooked in the kinetic treatments, and suggested that it is responsible for substantial amplification of the ambient magnetic field. Magnetic field amplification is also an important issue in the problem of the formation and structure of relativistic shock fronts, particularly in relation to models of gamma-ray bursts. We have therefore generalised the linear analysis to apply to this case, assuming a relativistic background plasma and a monoenergetic, unidirectional incoming proton beam. We find essentially the same non-resonant instability noticed by Bell, and show that also under GRB conditions, it grows much faster than the resonant waves. We quantify the extent to which thermal effects in the background plasma limit the maximum growth rate.Comment: 8 pages, 1 figur

Exact solution, scaling behaviour and quantum dynamics of a model of an atom-molecule Bose-Einstein condensate

We study the exact solution for a two-mode model describing coherent coupling between atomic and molecular Bose-Einstein condensates (BEC), in the context of the Bethe ansatz. By combining an asymptotic and numerical analysis, we identify the scaling behaviour of the model and determine the zero temperature expectation value for the coherence and average atomic occupation. The threshold coupling for production of the molecular BEC is identified as the point at which the energy gap is minimum. Our numerical results indicate a parity effect for the energy gap between ground and first excited state depending on whether the total atomic number is odd or even. The numerical calculations for the quantum dynamics reveals a smooth transition from the atomic to the molecular BEC.Comment: 5 pages, 4 figure

Squeezing in the audio gravitational wave detection band

We demonstrate the generation of broad-band continuous-wave optical squeezing down to 200Hz using a below threshold optical parametric oscillator (OPO). The squeezed state phase was controlled using a noise locking technique. We show that low frequency noise sources, such as seed noise, pump noise and detuning fluctuations, present in optical parametric amplifiers have negligible effect on squeezing produced by a below threshold OPO. This low frequency squeezing is ideal for improving the sensitivity of audio frequency measuring devices such as gravitational wave detectors.Comment: 5 pages, 6 figure