Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this potential for a self-consistent calculation of the ground state properties of a number of van der Waals complexes as well as crystalline silicon. For the latter, where little or no van der Waals interaction is expected, we find that the results are mostly determined by semilocal exchange and correlation as in standard generalized gradient approximations (GGA), with the fully nonlocal term giving little effect. On the other hand, our results for the van der Waals complexes show that the self-consistency has little effect at equilibrium separations. This finding validates previous calculations with the same functional that treated the fully nonlocal term as a post GGA perturbation. A comparison of our results with wave-function calculations demonstrates the usefulness of our approach. The exchange-correlation potential also allows us to calculate Hellmann-Feynman forces, hence providing the means for efficient geometry relaxations as well as unleashing the potential use of other standard techniques that depend on the self-consistent charge distribution. The nature of the van der Waals bond is discussed in terms of the self-consistent bonding charge.Comment: submitted to Phys. Rev.

How Large is the Intrinsic Flux Noise of a Magnetic Flux Quantum, of Half a Flux Quantum and of a Vortex-Free Superconductor?

This article addresses the question whether the magnetic flux of stationary vortices or of half flux quanta generated by frustrated superconducting rings is noisy. It is found that the flux noise generated intrinsically by a superconductor is, in good approximation, not enhanced by stationary vortices. Half flux quanta generated by $\pi$-rings are characterized by considerably larger noise.Comment: 11 pages, 3 figures. in: A. Bussmann-Holder, H. Keller (Eds.) High Tc Superconductors and Related Transition Metal Oxides, Springer, 237-242; also to be published in: Journal of Superconductivity (2007

Quasiparticle Interface States in Junctions Involving d-Wave Superconductors

Influence of surface pair breaking, barrier transmission and phase difference on quasiparticle bound states in junctions with d-wave superconductors is examined. Based on the quasiclassical theory of superconductivity, an approach is developed to handle interface bound states. It is shown in SIS' junctions that low energy bound states get their energies reduced by surface pair breaking, which can be taken into account by introducing an effective order parameter for each superconductor at the junction barrier. More interestingly, for the interface bound states near the continuous spectrum the effect of surface pair breaking may result in a splitting of the bound states. In the tunneling limit this can lead to a square root dependence of a nonequilibrium Josephson current on the barrier transmision, which means an enhancement as compared to the conventional critical current linear in the transmission. Reduced broadening of bound states in NIS junctions due to surface pair breaking is found.Comment: 27 pages, Latex fil

Universality versus material dependence of fluctuation forces between metallic wires

We calculate the Casimir interaction between two parallel wires and between a wire and a metall plate. The dielectric properties of the objects are described by the plasma, Drude and perfect metal models. We find that at asymptotically large separation interactions involving plasma wires and/or plates are independent of the material properties, but depend on the dc conductivity $\sigma$ for Drude wires. Counterintuitively, at intermediate separations the interaction involving Drude wires can become independent of $\sigma$. At smaller separations, we compute the interaction numerically and observe an approach to the proximity approximation

Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results

The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and compare the binding of a pair of nanotubes as well as in a nanotube crystal. To analyze the interaction and determine the importance of morphology, we furthermore compare results of our ab initio calculations with a simple analytical result that we obtain for a pair of well-separated nanotubes. In contrast to traditional density functional theory calculations, the vdW-DF study predicts an intertube vdW bonding with a strength that is consistent with recent observations for the interlayer binding in graphitics. It also produce a nanotube wall-to-wall separation which is in very good agreement with experiments. Moreover, we find that the vdW-DF result for the nanotube-crystal binding energy can be approximated by a sum of nanotube-pair interactions when these are calculated in vdW-DF. This observation suggests a framework for an efficient implementation of quantum-physical modeling of the CNT bundling in more general nanotube bundles, including nanotube yarn and rope structures.Comment: 10 pages, 4 figure

Orientation-dependent Casimir force arising from highly anisotropic crystals: application to Bi2Sr2CaCu2O8+delta

We calculate the Casimir interaction between parallel planar crystals of Au and the anisotropic cuprate superconductor Bi2Sr2CaCu2O8+delta (BSCCO), with BSCCO's optical axis either parallel or perpendicular to the crystal surface, using suitable generalizations of the Lifshitz theory. We find that the strong anisotropy of the BSCCO permittivity gives rise to a difference in the Casimir force between the two orientations of the optical axis, which depends on distance and is of order 10-20% at the experimentally accessible separations 10 to 5000 nm.Comment: 5 pages, 3 figures. Accepted for publication in Physical Review

Casimir torque

We develop a formalism for the calculation of the flow of angular momentum carried by the fluctuating electromagnetic field within a cavity bounded by two flat anisotropic materials. By generalizing a procedure employed recently for the calculation of the Casimir force between arbitrary materials, we obtain an expression for the torque between anisotropic plates in terms of their reflection amplitude matrices. We evaluate the torque in 1D for ideal and realistic model materials.Comment: 8 pages, 4 figs, Submitted to Proc. of QFEXT'05, to appear in J. Phys.

Electronic structure of d-wave superconducting quantum wires

We present analytical and numerical results for the electronic spectra of wires of a d-wave superconductor on a square lattice. The spectra of Andreev and other quasiparticle states, as well as the spatial and particle-hole structures of their wave functions, depend on interference effects caused by the presence of the surfaces and are qualitatively different for half-filled wires with even or odd number of chains. For half-filled wires with an odd number of chains N at (110) orientation, spectra consist of N doubly degenerate branches. By contrast, for even N wires, these levels are split, and all quasiparticle states, even the ones lying above the maximal gap, have the characteristic properties of Andreev bound states. These Andreev states above the gap can be interpreted as a consequence of an infinite sequence of Andreev reflections experienced by quasiparticles along their trajectories bounded by the surfaces of the wire. Our microscopic results for the local density of states display atomic-scale Friedel oscillations due to the presence of the surfaces, which should be observable by scanning tunneling microscopy. For narrow wires the self-consistent treatment of the order parameter is found to play a crucial role. In particular, we find that for small wire widths the finite geometry may drive strong fluctuations or even stablilize exotic quasi-1D pair states with spin triplet character.Comment: 21 pages, 20 figures. Slightly modified version as published in PR

A General Approach to Casimir Force Problems Based on Local Reflection Amplitudes and Huygen's Principle

In this paper we describe an approach to Casimir Force problems that is ultimately generalizable to all fields, boundary conditions, and cavity geometries. This approach utilizes locally defined reflection amplitudes to express the energy per unit area of any Casimir interaction. To demonstrate this approach we solve a number of Casimir Force problems including the case of uniaxial boundary conditions in a parallel-plate cavity.Comment: 9 pages, 5 figures, Equation 18 has been corrected, [v1] contained a typ

Dispersion Interactions between Optically Anisotropic Cylinders at all Separations: Retardation Effects for Insulating and Semiconducting Single Wall Carbon Nanotubes

We derive the complete form of the van der Waals dispersion interaction between two infinitely long anisotropic semiconducting/insulating thin cylinders at all separations. The derivation is based on the general theory of dispersion interactions between anisotropic media as formulated in [J. N. Munday, D. Iannuzzi, Yu. S. Barash and F. Capasso, {\sl Phys. Rev. A} {\bf 71}, 042102 (2005)]. This formulation is then used to calculate the dispersion interactions between a pair of single walled carbon nanotubes at all separations and all angles. Non-retarded and retarded forms of the interactions are developed separately. The possibility of repulsive dispersion interactions and non-monotonic dispersion interactions is discussed within the framework of the new formulation