Electrostatic image force energy for charges in three-layer structures: exact formulas and their approximations.

The problem of image force energyW(Z) in three-layer plane structures, whereZis the coordinate perpendicular to the layers, has been reconsidered. In the classical electrostatic limit, where the dielectric permittivitiesɛiof all structure components (i= 1, 2, 3) are constants, the exact general dependencesW(Z) were obtained for each layer and anyɛi-combination in terms of the Lerch transcendent function. For certain combinations ofɛi, an ion adsorption minimum was found to arise in one of the covers far from the interlayer. Some other combinations ofɛican lead to the appearance of a potential barrier, which does not permit a free charge existing in the cover to approach the interlayer, although it will be attracted to the interlayer in the close vicinity of the latter. For symmetric structures (ɛ1=ɛ3), the asymptotic behavior ofW(Z→∞)was shown to beZ-2rather thanZ-1, as it takes place in the two-layer case. Simple approximate analytical formulas that describeW(Z) and possess high accuracy for arbitrary relationships among theɛi-constants were proposed.

Orientation of adsorbed polar molecules (dipoles) in external electrostatic field.

A model is proposed in the framework of classical electrostatics to describe the behavior of an adsorbed polar molecule near the plane interface between two insulators under the action of an external electrostatic field. The molecule is considered as a permanent point dipole that polarizes the interface and interacts with it through electrostatic image forces. The latter and the applied field try to reorient the dipole in a competitive manner. The system behavior turns out to be rather complicated: it may show a bistable character with a hysteresis (a switch). Such a switch can serve as an element in a memory network made of adsorbed molecules.

Quasiparticle conductance-voltage characteristics for break junctions involving d-wave superconductors: charge-density-wave effects.

Quasiparticle tunnel conductance-voltage characteristics (CVCs), [Formula: see text], were calculated for break junctions (BJs) made up of layered d-wave superconductors partially gapped by charge-density waves (CDWs). The current is assumed to flow in the ab-plane of electrodes. The influence of CDWs is analyzed by comparing the resulting CVCs with CVCs calculated for BJs made up of pure d-wave superconductors with relevant parameters. The main CDW-effects were found to be the appearance of new CVC peculiarities and the loss of CVC symmetry with respect to the V-sign. Tunnel directionality was shown to be one of the key factors in the formation of [Formula: see text] dependences. In particular, the orientation of electrodes with respect to the current channel becomes very important. As a result, [Formula: see text] can acquire a large variety of forms similar to those for tunnel junctions between superconductors with s-wave, d-wave, and mixed symmetry of their order parameters. The diversity of peculiarities is especially striking at finite temperatures. In the case of BJs made up of pure d-wave superconductors, the resulting CVC can include a two-peak gap-driven structure. The results were compared with the experimental BJ data for a number of high-T c oxides. It was shown that the large variety of the observed current-voltage characteristics can be interpreted in the framework of our approach. Thus, quasiparticle tunnel currents in the ab-plane can be used as an additional mean to detect CDWs competing with superconductivity in cuprates or other layered superconductors.

Influence of the spatially inhomogeneous gap distribution on the quasiparticle current in c-axis junctions involving d-wave superconductors with charge density waves.

The quasiparticle tunnel current J(V) between the superconducting ab-planes along the c-axis and the corresponding conductance [Formula: see text] were calculated for symmetric junctions composed of disordered d-wave layered superconductors partially gapped by charge density waves (CDWs). Here, V is the voltage. Both the checkerboard and unidirectional CDWs were considered. It was shown that the spatial spread of the CDW-pairing strength substantially smears the peculiarities of G(V) appropriate to uniform superconductors. The resulting curves G(V) become very similar to those observed for a number of cuprates in intrinsic junctions, e.g. mesas. In particular, the influence of CDWs may explain the peak-dip-hump structures frequently found for high-T c oxides.

New method for deciphering free energy landscape of three-state proteins.

We have developed a new simulation method to estimate the distance between the native state and the first transition state and the distance between the intermediate state and the second transition state of a protein which mechanically unfolds via intermediates. Assuming that the end-to-end extension DeltaR is a good reaction coordinate to describe the free energy landscape of proteins subjected to an external force, we define the midpoint extension DeltaR(*) between two transition states from either constant force or constant loading rate pulling simulations. In the former case, DeltaR(*) is defined as a middle point between two plateaus in the time-dependent curve of DeltaR, while, in the latter one, it is a middle point between two peaks in the force-extension curve. Having determined DeltaR(*), one can compute times needed to cross two transition state barriers starting from the native state. With the help of the Bell and microscopic kinetic theory, force dependencies of these unfolding times can be used to locate the intermediate state and to extract unfolding barriers. We have applied our method to the titin domain I27 and the fourth domain of Dictyostelium discoideum filamin (DDFLN4) and obtained reasonable agreement with experiments, using the C(alpha)-Go model.

Excess nonspecific Coulomb ion adsorption at the metal electrode/electrolyte solution interface: role of the surface layer.

Excess ion adsorption gamma induced by the polarization image forces in the system of a metal electrode/symmetric electrolyte solution separated by an insulating interlayer has been calculated. The adopted theoretical scheme involves the Coulomb Green's function in a three-layer system with sharp interfaces and specular reflection at them. The influence of the spatial dispersion of the dielectric permittivities epsilon(i)(k) in all the three media on the image force energy W(im) and the adsorption gamma has been analyzed, where k is the wave vector. A comparison with the classical model, where epsilon(i)=const, has been carried out. It has been shown that both the Debye-Hückel ion screening and the spatial dispersion of the solvent contribution epsilon(solv)(k) to the overall dielectric function epsilon(el)(k) of the electrolyte solution lead to the qualitative difference with the results for the classical model. In particular, in a wide range of ion concentrations n0 a thin interlayer L > or = 5-10 angstroms effectively screens out the attractive influence of the metallic electrode, so that the net Coulomb adsorption may become repulsive. The approach and the results obtained qualitatively describe two physically different situations. Specifically, the introduced interlayer corresponds either to the dense near-electrode (inner) electrolyte layer or to the intentionally deposited control coating of arbitrary thickness.