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

Rotating Accelerator-Mode Islands

The existence of rotating accelerator-mode islands (RAIs), performing quasiregular motion in rotational resonances of order $m>1$ of the standard map, is firmly established by an accurate numerical analysis of all the known data. It is found that many accelerator-mode islands for relatively small nonintegrability parameter $K$ are RAIs visiting resonances of different orders $m\leq 3$. For sufficiently large $K$, one finds also ``pure'' RAIs visiting only resonances of the {\em same} order, $m=2$ or $m=3$. RAIs, even quite small ones, are shown to exhibit sufficient stickiness to produce an anomalous chaotic transport. The RAIs are basically different in nature from accelerator-mode islands in resonances of the ``forced'' standard map which was extensively studied recently in the context of quantum accelerator modes.Comment: REVTEX, 31 pages (including 2 tables and 15 figures

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

Superconducting Junctions with Ferromagnetic, Antiferromagnetic or Charge-Density-Wave Interlayers

Spectra and spin structures of Andreev interface states and the Josephson current are investigated theoretically in junctions between clean superconductors (SC) with ordered interlayers. The Josephson current through the ferromagnet-insulator-ferromagnet interlayer can exhibit a nonmonotonic dependence on the misorientation angle. The characteristic behavior takes place if the pi state is the equilibrium state of the junction in the particular case of parallel magnetizations. We find a novel channel of quasiparticle reflection (Q reflection) from the simplest two-sublattice antiferromagnet (AF) on a bipartite lattice. As a combined effect of Andreev and Q reflections, Andreev states arise at the AF/SC interface. When the Q reflection dominates the specular one, Andreev bound states have almost zero energy on AF/ s-wave SC interfaces, whereas they lie near the edge of the continuous spectrum for AF/d-wave SC boundaries. For an s-wave SC/AF/s-wave SC junction, the bound states are found to split and carry the supercurrent. Our analytical results are based on a novel quasiclassical approach, which applies to interfaces involving itinerant antiferromagnets. Similar effects can take place on interfaces of superconductors with charge density wave materials (CDW), including the possible d-density wave state (DDW) of the cuprates.Comment: LT24 conference proceeding, 2 pages, 1 figur

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

Subharmonic Gap Structure in Superconductor/Ferromagnet/Superconductor Junctions

The behavior of dc subgap current in magnetic quantum point contact is discussed for the case of low-transparency junction with different tunnel probabilities for spin-up ($D_\uparrow$) and spin-down ($D_\downarrow$) electrons. Due to the presence of Andreev bound states $\pm \epsilon_0$ in the system the positions of subgap electric current steps $eV_n = (\Delta \pm \epsilon_0)/n$ are split at temperature $T \neq 0$ with respect to the nonmagnetic result $eV_n=2\Delta/n$. It is found that under the condition $D_\uparrow \neq D_\downarrow$ the spin current also manifests subgap structure, but only for odd values of $n$. The split steps corresponding to $n=1,2$ in subgap electric and spin currents are analytically calculated and the following steps are described qualitatively.Comment: 4 pages, 1 figure, minor stylistic changes, journal-ref adde

Combined Paramagnetic and Diamagnetic Response of YBCO

It has been predicted that the zero frequency density of states of YBCO in the superconducting phase can display interesting anisotropy effects when a magnetic field is applied parallel to the copper-oxide planes, due to the diamagnetic response of the quasi-particles. In this paper we incorporate paramagnetism into the theory and show that it lessens the anisotropy and can even eliminate it altogether. At the same time paramagnetism also changes the scaling with the square root of the magnetic field first deduced by Volovik leading to an experimentally testable prediction. We also map out the analytic structure of the zero frequency density of states as a function of the diamagnetic and paramagnetic energies. At certain critical magnetic field values we predict kinks as we vary the magnetic field. However these probably lie beyond currently accessible field strengths