Nonlocal density functionals and the linear response of the homogeneous electron gas

The known and usable truly nonlocal functionals for exchange-correlation energy of the inhomogeneous electron gas are the ADA (average density approximation) and the WDA (weighted density approximation). ADA, by design, yields the correct linear response function of the uniform electron gas. WDA is constructed so that it is exact in the limit of one-electron systems. We derive an expression for the linear response of the uniform gas in the WDA, and calculate it for several flavors of WDA. We then compare the results with the Monte-Carlo data on the exchange-correlation local field correction, and identify the weak points of conventional WDA in the homogeneous limit. We suggest how the WDA can be modified to improve the response function. The resulting approximation is a good one in both opposite limits, and should be useful for practical nonlocal density functional calculations.Comment: 4 pages, two eps figures embedde

Universal Quantum Degeneracy Point for Superconducting Qubits

The quantum degeneracy point approach [D. Vion et al., Science 296, 886 (2002)] effectively protects superconducting qubits from low-frequency noise that couples with the qubits as transverse noise. However, low-frequency noise in superconducting qubits can originate from various mechanisms and can couple with the qubits either as transverse or as longitudinal noise. Here, we present a quantum circuit containing a universal quantum degeneracy point that protects an encoded qubit from arbitrary low-frequency noise. We further show that universal quantum logic gates can be performed on the encoded qubit with high gate fidelity. The proposed scheme is robust against small parameter spreads due to fabrication errors in the superconducting qubits.Comment: 7 pages, 4 figure

Screening, Coulomb pseudopotential, and superconductivity in alkali-doped Fullerenes

We study the static screening in a Hubbard-like model using quantum Monte Carlo. We find that the random phase approximation is surprisingly accurate almost up to the Mott transition. We argue that in alkali-doped Fullerenes the Coulomb pseudopotential $\mu^\ast$ is not very much reduced by retardation effects. Therefore efficient screening is important in reducing $\mu^{\ast}$ sufficiently to allow for an electron-phonon driven superconductivity. In this way the Fullerides differ from the conventional picture, where retardation effects play a major role in reducing the electron-electron repulsion.Comment: 4 pages RevTeX with 2 eps figures, additional material available at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene

The healing mechanism for excited molecules near metallic surfaces

Radiation damage prevents the ability to obtain images from individual molecules. We suggest that this problem can be avoided for organic molecules by placing them in close proximity with a metallic surface. The molecules will then quickly dissipate any electronic excitation via their coupling to the metal surface. They may therefore be observed for a number of elastic scattering events that is sufficient to determine their structure.Comment: 4 pages, 4 figures. Added reference

Ex-situ Tunnel Junction Process Technique Characterized by Coulomb Blockade Thermometry

We investigate a wafer scale tunnel junction fabrication method, where a plasma etched via through a dielectric layer covering bottom Al electrode defines the tunnel junction area. The ex-situ tunnel barrier is formed by oxidation of the bottom electrode in the junction area. Room temperature resistance mapping over a 150 mm wafer give local deviation values of the tunnel junction resistance that fall below 7.5 % with an average of 1.3 %. The deviation is further investigated by sub-1 K measurements of a device, which has one tunnel junction connected to four arrays consisting of N junctions (N = 41, junction diameter 700 nm). The differential conductance is measured in single-junction and array Coulomb blockade thermometer operation modes. By fitting the experimental data to the theoretical models we found an upper limit for the local tunnel junction resistance deviation of ~5 % for the array of 2N+1 junctions. This value is of the same order as the minimum detectable deviation defined by the accuracy of our experimental setup

Metal-insulator transitions: Influence of lattice structure, Jahn-Teller effect, and Hund's rule coupling

We study the influence of the lattice structure, the Jahn-Teller effect and the Hund's rule coupling on a metal-insulator transition in AnC60 (A= K, Rb). The difference in lattice structure favors A3C60 (fcc) being a metal and A4C60 (bct) being an insulator, and the coupling to Hg Jahn-Teller phonons favors A4C60 being nonmagnetic. The coupling to Hg (Ag) phonons decreases (increases) the value Uc of the Coulomb integral at which the metal-insulator transition occurs. There is an important partial cancellation between the Jahn-Teller effect and the Hund's rule coupling.Comment: 4 pages, RevTeX, 3 eps figure, additional material available at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene

Observation of quantum capacitance in the Cooper-pair transistor

We have fabricated a Cooper-pair transistor (CPT) with parameters such that for appropriate voltage biases, the sub-gap charge transport takes place via slow tunneling of quasiparticles that link two Josephson-coupled charge manifolds. In between the quasiparticle tunneling events, the CPT behaves essentially like a single Cooper-pair box (SCB). The effective capacitance of a SCB can be defined as the derivative of the induced charge with respect to gate voltage. This capacitance has two parts, the geometric capacitance, C_geom, and the quantum capacitance C_Q. The latter is due to the level anti-crossing caused by the Josephson coupling. It depends parametrically on the gate voltage and is dual to the Josephson inductance. Furthermore, it's magnitude may be substantially larger than C_geom. We have been able to detect C_Q in our CPT, by measuring the in-phase and quadrature rf-signal reflected from a resonant circuit in which the CPT is embedded. C_Q can be used as the basis of a charge qubit readout by placing a Cooper-pair box in such a resonant circuit.Comment: 3 figure

Optimized Effective Potential Model for the Double Perovskites Sr2-xYxVMoO6 and Sr2-xYxVTcO6

In attempt to explore half-metallic properties of the double perovskites Sr2-xYxVMoO6 and Sr2-xYxVTcO6, we construct an effective low-energy model, which describes the behavior of the t2g-states of these compounds. All parameters of such model are derived rigorously on the basis of first-principles electronic structure calculations. In order to solve this model we employ the optimized effective potential method and treat the correlation interactions in the random phase approximation. Although correlation interactions considerably reduce the intraatomic exchange splitting in comparison with the Hartree-Fock method, this splitting still substantially exceeds the typical values obtained in the local-spin-density approximation (LSDA), which alters many predictions based on the LSDA. Our main results are summarized as follows: (i) all ferromagnetic states are expected to be half-metallic. However, their energies are generally higher than those of the ferrimagnetic ordering between V- and Mo/Tc-sites (except Sr2VMoO6); (ii) all ferrimagnetic states are metallic (except fully insulating Y2VTcO6) and no half-metallic antiferromagnetism has been found; (iii) moreover, many of the ferrimagnetic structures appear to be unstable with respect to the spin-spiral alignment. Thus, the true magnetic ground state of the most of these systems is expected to be more complex. In addition, we discuss several methodological issues related to the nonuniqueness of the effective potential for the magnetic half-metallic and insulating states.Comment: 15 pages, 9 figure