Enhanced charge and spin currents in the one-dimensional disordered mesoscopic Hubbard ring

We consider a one-dimensional mesoscopic Hubbard ring with and without disorder and compute charge and spin stiffness as a measure of the permanent currents. For finite disorder we identify critical disorder strength beyond which the charge currents in a system with repulsive interactions are larger than those for a free system. The spin currents in the disordered repulsive Hubbard model are enhanced only for small U, where the magnetic state of the system corresponds to a charge-density wave pinned to the impurities. For large U, the state of the system corresponds to localized isolated spins and the spin currents are found to be suppressed. For the attractive Hubbard model we find that the charge currents are always suppressed compared to the free system at all length scales.

Triple resonance, triple-quantum NMR studies of dipolar coupled spin systems

Multiple quantum-single quantum correlation experiments are employed for spectral simplification and determination of the relative signs of the couplings. In this study, we have demonstrated the excitation of three nuclei, triple quantum coherences and discussed the information obtainable from such experiments. The experiments have been carried out on doubly labeled acetonitrile and fluoroacetonitrile aligned in liquid crystalline media. The experiment is advantageous in providing many spectral parameters from a single experiment. The coherence pathways involved in the pulse sequence are described using product operators. (C) 2011 Elsevier Inc. All rights reserved.

Raman Spectroscopy of the Charge Transfer Complex (TTF)x C60 Br8

We report Raman studies on powder samples of the charge transfer complex (TTF)(x)C60Br8 at room temperature. The phonons show considerable softening with respect to the frequencies observed in the Raman spectrum of solid C60Br8. The strongest mode at 1464 cm(-1) in C60Br8 is red shifted to a doublet with peaks at 1414 and 1421 cm(-1), implying an average phonon softening Delta omega of -47 cm(-1). A comparison with the phonon softening of the corresponding A(g)(2) mode in alkali-doped C-60 (Delta omega similar to -36 cm(-1) for A(6)C(60), A = K, Rb or Cs) suggests that 8 electrons are transferred per C60Br8 molecule in the charge transfer complex. The mode at 503 cm(-1) in C60Br8 is shifted upwards, similar to that in A(6)C(60) compounds.

Variation of Cu-O charge-transfer energies in YBa2Cu3O7-x thin films studied by photoemission spectroscopy

It is pointed out that the change in the oxidation state of Cu in YBa2CU3O7-x with increasing x vitiates the trend in the Cu(2p) satellite intensity and hence the Cu-O charge-transfer energy. When Y is partly replaced by Ca, however, the satellite intensity and T(c) decrease with the increase in Ca content or hole concentration, just as in other cuprates.

Charge-ordering in manganates

Ordering of Mn3+ and Mn4+ ions occurs in the rare earth manganates of the general composition Ln(1-x)A(x)MnO(3) (Ln rare earth, A = Ca, Sr). Such charge-ordering is associated with antiferromagnetic and insulating properties. This phenomenon is to be contrasted with the ferromagnetic metallic behavior that occurs when double-exchange between the Mn3+ and Mn4+ ions predominates. Two distinct types of charge-ordering can be delineated. In one, a ferromagnetic metallic (FMM) state transforms to the charge-ordered (CO) state on cooling. In the other scenario, the CO state is found in the paramagnetic ground stale and there is no ferromagnetism down to the lowest temperatures. Magnetic fields transform the CO state to the FMM state, when the average radius of the A-site cations is sufficiently large ([r(A)] > 1.17 Angstrom). Chemical melting of the CO state by Cr3+ substitution in the Mn site is also found only when [r(A)] greater than or similar to 1.17 Angstrom. The effect of the size of the A-cations on the Mn-O-Mn angle is not enough to explain the observed variations of the charge-ordering temperature as well as the ferromagnetic Curie temperature T-c. An explanation based on a competition between the Mn and A-cation orbitals for sigma-bonding with the oxygen rho(sigma) orbitals is considered to account for the large changes in T-c and hence the true bandwidth, with [r(A]). Effects of radiation, electric field, and other factors on the CO state are discussed along with charge-ordering in other manganate systems. Complex phase transitions, accompanied by changes in electronic and magnetic properties, occur in manganates with critical values of(rA) Or bandwidth. Charge-ordering is found in layered manganates, BixCa1-xMnO3 and CaMnO3-delta.

Lyapunov exponents and predictability of the tropical coupled ocean-atmosphere system

It has recently been proposed that the broad spectrum of interannual variability in the tropics with a peak around four years results from an interaction between the linear low-frequency oscillatory mode of the coupled system and the nonlinear higher-frequency modes of the system. In this study we determine the Lyapunov exponents of the conceptual model consisting of a nonlinear low-order model coupled to a linear oscillator for various values of the coupling constants.

Long-Range Visible Fluorescence Tunability Using Component-Modulated Coupled Quantum Dots

A simple route for tailoring emissions in the visible wavelength region by chemically coupling quantum dots composed of ZnSe and CdS is reported. coupled quantum dots offer a novel route for tuning electronic transitions via band-offset engineering at the material interface. This novel class of asymmetric. coupled quantum structures may offer a basis for a diverse set of building blocks for optoelectronic devices, ultrahigh density memories, and quantum information processing.

Magnetism, charge ordering, and metal-insulator transition in the lanthanum manganites

We examine the magnetic and structural properties of the lanthanum manganite-based double-exchange magnets exhibiting colossal magnetoresistance. A model Hamiltonian containing the double-exchange, superexchange, and the Hubbard terms, with parameters obtained from density–functional calculations (Ref. 1), is studied within a mean-field approximation both at temperature T=0 and T>0 and with the effects of the magnetic field included. The phase diagrams we obtain with magnetic and charge-ordered phases enable us to examine the competition between the double- and superexchange terms as functions of doping and temperature. Our theoretical study provides a qualitative understanding of the phase diagram observed in the experiments. © 1997 American Institute of Physics.

Pressure-induced charge transfer in lanthanum nickel ferrate (LaNi0.5Fe0.5O3) and analogies to composition-driven charge transfer in dilanthanum cuprate (La2CuO4): an infrared study

A reversible pressure-induced phase transition in lanthanum nickel ferrate (LaNi0.5Fe0.5O3) manifests itself in the infrared spectrum of the transition metal-oxygen stretching (nu(TM-O)) modes by the emergence of new peaks at pressures greater than similar to 1.4 x 10(9) Pa. Analogies to this transition are made by considering charge transfer in dilanthanum cuprate (La2CuO4) and its modification by partial substitution of copper ions by chromium ions.

An Efficient Robust Algorithm for the Surface-Potential Calculation of Independent DG MOSFET

Although the recently proposed single-implicit-equation-based input voltage equations (IVEs) for the independent double-gate (IDG) MOSFET promise faster computation time than the earlier proposed coupled-equations-based IVEs, it is not clear how those equations could be solved inside a circuit simulator as the conventional Newton-Raphson (NR)-based root finding method will not always converge due to the presence of discontinuity at the G-zero point (GZP) and nonremovable singularities in the trigonometric IVE. In this paper, we propose a unique algorithm to solve those IVEs, which combines the Ridders algorithm with the NR-based technique in order to provide assured convergence for any bias conditions. Studying the IDG MOSFET operation carefully, we apply an optimized initial guess to the NR component and a minimized solution space to the Ridders component in order to achieve rapid convergence, which is very important for circuit simulation. To reduce the computation budget further, we propose a new closed-form solution of the IVEs in the near vicinity of the GZP. The proposed algorithm is tested with different device parameters in the extended range of bias conditions and successfully implemented in a commercial circuit simulator through its Verilog-A interface.

Role of hydrophobic effect and surface charge in surfactant-DNA association

Ethidium bromide is one of the best known DNA intercalator. Upon intercalation inside DNA, the fluorescence due to ethidium bromide gets enhanced by many orders of magnitude. In this paper, we employed ethidium bromide as a probe for studying surfactant-DNA complexation using fluorescence spectroscopy and agarose gel electrophoresis. Surfactants of different charge types and chain lengths were used and the results were compared with that of the related small organic cations or salts under comparable conditions. The cationic surfactants induced destabilization of the ethidium bromide-DNA complex at concentrations in orders of magnitude lower than that of the small organic cations or salts. In contrast however, the anionic surfactants failed to promote any such destabilization of probe-DNA complex. DNA loses its ethidium bromide stainability in the presence of high concentration of cationic surfactant aggregates as revealed from agarose gel electrophoresis experiments. Inclusion of surfactants and other additives into the DNA generally enhanced the DNA double-strand to single strand transition melting temperatures by a few degrees, in a concentration-dependent manner and at high surfactant concentration melting profiles got broadened.

Solvation dynamics of a charge bubble in water

A microscopic theory is used to calculate the solvation-time correlation function, (S(t)), of a light, non-stationary charge bubble in water. The calculated correlation function is found to be similar to the energy-time correlation function of a solvated electron. The ionic mobility of a charge bubble of the size of the hydrated electron is also calculated. It is found that the mobility of the charge plays a very important role in its own solvation.

Spin and charge density waves in the extended Hubbard model: A slave-boson approach

We use the extended Hubbard model to investigate the properties of the charge- and spin-density-wave phases in the presence of a nearest-neighbors repulsion term in the framework of the slave-boson technique. We show that, contrary to Hartree-Fock results, an instablity may occur for sufficiently high values of the Hubbard repulsion, both in the spin- and charge-density-wave phase, which makes the system discontinuously jump to a phase with a smaller or zero wave amplitude. The limits of applicability of our approach are discussed and our results are compared with previous numerical analysis. The phase diagram of the model at half-filling is determined.

Spin distributions in antiferromagnetically coupled Mn2+Cu2+ systems: from the pair to the infinite chain

Probably the most informative description of the ground slate of a magnetic molecular species is provided by the spin density map. Such a map may be experimentally obtained from polarized neutron diffraction (PND) data or theoretically calculated using quantum chemical approaches. Density functional theory (DFT) methods have been proved to be well-adapted for this. Spin distributions in one-dimensional compounds may also be computed using the density matrix renormalization group (DMRG) formalism. These three approaches, PND, DFT, and DMRG, have been utilized to obtain new insights on the ground state of two antiferromagnetically coupled Mn2+Cu2+ compounds, namely [Mn(Me-6-[14]ane-N-4)Cu(oxpn)](CF3SO3)(2) and MnCu(pba)(H2O)(3) . 2H(2)O, with Me-6-[14]ane-N-4 = (+/-)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, oxpn = N,N'-bis(3-aminopropyl)oxamido and pba = 1,3-propylenebis(oxamato). Three problems in particular have been investigated: the spin distribution in the mononuclear precursors [Cu(oxpn)] and [Cu(pba)](2-), the spin density maps in the two Mn2+Cu2+ compounds, and the evolution of the spin distributions on the Mn2+ and Cu2+ sites when passing from a pair to a one-dimensional ferrimagnet.

The nature of charge ordering in rare earth manganates and its strong dependence on the size of the A-site cations

Charge ordering in rare earth manganates of the type Ln(0.5)A(0.5)MnO(3) (Ln = rare earth, A = alkaline earth) is highly sensitive to the average radius of the A-site cations, [r(A)]. Tn the small [r(A)] regime (e.g., Y0.5Ca0.5MnO3), charge ordering occurs in the paramagnetic state, the transformation to an antiferromagnetic state occurring at still lower temperatures. At moderate [r(A)] values (e.g., Nd0.5Sr0.5MnO3), a ferromagnetic metallic state transforms to a charge-ordered antiferromagnetic state with cooling. These two distinct types of charge ordering and associated properties are explained in terms of the variation of the exchange couplings J(FM) and J(AFM) with [r(A)] and the invariance of the single-ion Jahn-Teller energy with [r(A)]. A qualitative temperature-[r(A)] phase diagram, consistent with the experimental observations, has been constructed to describe the properties of the manganates in the different [r(A)] regimes. (C) 1997 Academic Press.