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.

A possible cooling effect in high temperature superconductors

We show that an adiabatic increase of the supercurrent along a superconductor with lines of nodes of the order parameter on the Fermi surface can result in a cooling effect. The maximum cooling occurs if the supercurrent increases up to its critical value. The effect can also be observed in a mixed state of a bulk sample. An estimate of the energy dissipation shows that substantial cooling can be performed during a reasonable time even in the microkelvin regime.Comment: 5 pages, to appear in Phys. Rev.

Repulsive Casimir Force: Sufficient Conditions

In this paper the Casimir energy of two parallel plates made by materials of different penetration depth and no medium in between is derived. We study the Casimir force density and derive analytical constraints on the two penetration depths which are sufficient conditions to ensure repulsion. Compared to other methods our approach needs no specific model for dielectric or magnetic material properties and constitutes a complementary analysis.Comment: 11 pages. 3 figures. Misprints corrected in Eq. (4

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

Nonlinear response and scaling law in the vortex state of d-wave superconductors

We study the field dependence of the quasi-particle density of states, the thermodynamics and the transport properties in the vortex state of d-wave superconductors when a magnetic field is applied perpendicular to the conducting plane, specially for the low field and the low temperature compared to the upper critical field and transition temperature, respectively, $H/H_{c2} \ll 1$ and $T/T_c \ll 1$. Both the superfluid density and the spin susceptibility exhibit the characteristic $\sqrt{H}$-field dependence, while the nuclear spin lattice relaxation rate T$_1^{-1}$ and the thermal conductivity are linear in field $H$. With increasing temperature, these quantities exhibit the scaling behavior in $T/\sqrt{H}$. The present theory applies to 2D $f$-wave superconductor as well; a possible candidate of the superconductivity in Sr$_2$RuO$_4$.Comment: 11 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.

Van der Waals torque induced by external magnetic fields

We present a method for inducing and controlling van der Waals torques between two parallel slabs using a constant magnetic field. The torque is calculated using the Barash theory of dispersive torques. In III-IV semiconductors such as $InSb$, the effect of an external magnetic field is to induce an optical anisotropy, in an otherwise isotropic material, that will in turn induce a torque. The calculations of the torque are done in the Voigt configuration, with the magnetic field parallel to the surface of the slabs. As a case study we consider a slab made of calcite and a second slab made of $InSb$. In the absence of magnetic field there is no torque. As the magnetic field increases, the optical anisotropy of $InSb$ increases and the torque becomes different from zero, increasing with the magnetic field. The resulting torque is of the same order of magnitude as that calculated using permanent anisotropic materials when the magnetic fields is close to 1 T.Comment: to appear in Journal of Applied Physic

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