Density-matrix functionals for pairing in mesoscopic superconductors

A functional theory based on single-particle occupation numbers is developed for pairing. This functional, that generalizes the BCS approach, directly incorporates corrections due to particle number conservation. The functional is benchmarked with the pairing Hamiltonian and reproduces perfectly the energy for any particle number and coupling.Comment: 4 pages, 4 figures, revised versio

Pairing dynamics in particle transport

We analyze the effect of pairing on particle transport in time-dependent theories based on the Hartree-Fock-Bogoliubov (HFB) or BCS approximations. The equations of motion for the HFB density matrices are unique and the theory respects the usual conservation laws defined by commutators of the conserved quantity with the Hamiltonian. In contrast, the theories based on the BCS approximation are more problematic. In the usual formulation of TDHF+BCS, the equation of continuity is violated and one sees unphysical oscillations in particle densities. This can be ameliorated by freezing the occupation numbers during the evolution in TDHF+BCS, but there are other problems with the BCS that make it doubtful for reaction dynamics. We also compare different numerical implementations of the time-dependent HFB equations. The equations of motion for the $U$ and $V$ Bogoliubov transformations are not unique, but it appears that the usual formulation is also the most efficient. Finally, we compare the time-dependent HFB solutions with numerically exact solutions of the two-particle Schrodinger equation. Depending on the treatment of the initial state, the HFB dynamics produces a particle emission rate at short times similar to that of the Schrodinger equation. At long times, the total particle emission can be quite different, due to inherent mean-field approximation of the HFB theory.Comment: 11 pages, 9 figure

General Relativistic Flux Modulations from Disk Instabilities in Sagittarius A*

Near-IR and X-ray flares have been detected from the supermassive black hole Sgr A* at the center of our Galaxy with a (quasi)-period of ~17-20 minutes, suggesting an emission region only a few Schwarzschild radii above the event horizon. The latest X-ray flare, detected with XMM-Newton, is notable for its detailed lightcurve, yielding not only the highest quality period thus far, but also important structure reflecting the geometry of the emitting region. Recent MHD simulations of Sgr A*'s disk have demonstrated the growth of a Rossby wave instability, that enhances the accretion rate for several hours, possibly accounting for the observed flares. In this Letter, we carry out ray-tracing calculations in a Schwarzschild metric to determine as accurately as possible the lightcurve produced by general relativistic effects during such a disruption. We find that the Rossby wave induced spiral pattern in the disk is an excellent fit to the data, implying a disk inclination angle of ~77 deg. Note, however, that if this association is correct, the observed period is not due to the underlying Keplerian motion but, rather, to the pattern speed. The favorable comparison between the observed and simulated lightcurves provides important additional evidence that the flares are produced in Sgr A*'s inner disk.Comment: 5 Pages, 3 Figures, accepted for publication in ApJ Lette

Phase transitions for random states and a semi-circle law for the partial transpose

For a system of N identical particles in a random pure state, there is a threshold k_0 = k_0(N) ~ N/5 such that two subsystems of k particles each typically share entanglement if k > k_0, and typically do not share entanglement if k < k_0. By "random" we mean here "uniformly distributed on the sphere of the corresponding Hilbert space." The analogous phase transition for the positive partial transpose (PPT) property can be described even more precisely. For example, for N qubits the two subsystems of size k are typically in a PPT state if k k_1. Since, for a given state of the entire system, the induced state of a subsystem is given by the partial trace, the above facts can be rephrased as properties of random induced states. An important step in the analysis depends on identifying the asymptotic spectral density of the partial transposes of such random induced states, a result which is interesting in its own right.Comment: 5 pages, 2 figures. This short note contains a high-level overview of two long and technical papers, arXiv:1011.0275 and arXiv:1106.2264. Version 2: unchanged results, editorial changes, added reference, close to the published articl

Molecular Density Functional Theory for water with liquid-gas coexistence and correct pressure

The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular density functional theory, coexistence is not taken into account. Hydration structures and energies of nanometer-scale hydrophobic solutes are thus incorrect. In this article, we propose a bridge functional that corrects this thermodynamic inconsistency by introducing a metastable gas phase for the homogeneous solvent. We show how this can be done by a third order expansion of the functional around the bulk liquid density that imposes the right pressure and the correct second order derivatives. Although this theory is not limited to water, we apply it to study hydrophobic solvation in water at room temperature and pressure and compare the results to all-atom simulations. With this correction, molecular density functional theory gives, at a modest computational cost, quantitative hydration free energies and structures of small molecular solutes like n-alkanes, and of hard sphere solutes whose radii range from angstroms to nanometers. The macroscopic liquid-gas surface tension predicted by the theory is comparable to experiments. This theory gives an alternative to the empirical hard sphere bridge correction used so far by several authors.Comment: 18 pages, 6 figure

Buried dislocation networks designed to organize the growth of III-V semiconductor nanostructures

We first report a detailed transmission electron microscopy study of dislocation networks (DNs) formed at shallowly buried interfaces obtained by bonding two GaAs crystals between which we establish in a controlled manner a twist and a tilt around a k110l direction. For large enough twists, the DN consists of a twodimensional network of screw dislocations accommodating mainly the twist and of a one-dimensional network of mixed dislocations accommodating mainly the tilt. We show that in addition the mixed dislocations accommodate part of the twist and we observe and explain slight unexpected disorientations of the screw dislocations with respect to the k110l directions. By performing a quantitative analysis of the whole DN, we propose a coherent interpretation of these observations which also provides data inaccessible by direct experiments. When the twist is small enough, one screw subnetwork vanishes. The surface strain field induced by such DNs has been used to pilot the lateral ordering of GaAs and InGaAs nanostructures during metal-organic vapor phase epitaxy. We prove that the dimensions and orientations of the nanostructures are correlated with those of the cells of the underlying DN and explain how the interface dislocation structure governs the formation of the nanostructures

Formation and annealing of dislocation loops induced by nitrogen implantation of ZnO

Although zinc oxide is a promising material for the fabrication of short wavelength optoelectronic devices, p-type doping is a step that remains challenging for the realization of diodes. Out of equilibrium methods such as ion implantation are expected to dope ZnO successfully provided that the non-radiative defects introduced by implantation can be annealed out. In this study, ZnO substrates are implanted with nitrogen ions, and the extended defects induced by implantation are studied by transmission electron microscopy and X-ray diffraction (XRD), before and after annealing at 900^{\circ}C. Before annealing, these defects are identified to be dislocation loops lying either in basal planes in high N concentration regions, or in prismatic planes in low N concentration regions, together with linear dislocations. An uniaxial deformation of 0.4% along the c axis, caused by the predominant basal loops, is measured by XRD in the implanted layer. After annealing, prismatic loops disappear while the density of basal loops decreases and their diameter increases. Moreover, dislocation loops disappear completely from the sub-surface region. XRD measurements show a residual deformation of only 0.05% in the implanted and annealed layer. The fact that basal loops are favoured against prismatic ones at high N concentration or high temperature is attributed to a lower stacking fault energy in these conditions. The coalescence of loops and their disappearance in the sub-surface region are ascribed to point defect diffusion. Finally, the electrical and optical properties of nitrogen-implanted ZnO are correlated with the observed structural features.Comment: 8 page

Description of Pairing correlation in Many-Body finite systems with density functional theory

Different steps leading to the new functional for pairing based on natural orbitals and occupancies proposed in ref. [D. Lacroix and G. Hupin, arXiv:1003.2860] are carefully analyzed. Properties of quasi-particle states projected onto good particle number are first reviewed. These properties are used (i) to prove the existence of such a functional (ii) to provide an explicit functional through a 1/N expansion starting from the BCS approach (iii) to give a compact form of the functional summing up all orders in the expansion. The functional is benchmarked in the case of the picked fence pairing Hamiltonian where even and odd systems, using blocking technique are studied, at various particle number and coupling strength, with uniform and random single-particle level spacing. In all cases, a very good agreement is found with a deviation inferior to 1% compared to the exact energy.Comment: 14 pages, 9 figure

Carrier thermal escape in families of InAs/InP self-assembled quantum dots

We investigate the thermal quenching of the multimodal photoluminescence from InAs/InP (001) self-assembled quantum dots. The temperature evolution of the photoluminescence spectra of two samples is followed from 10 K to 300 K. We develop a coupled rate-equation model that includes the effect of carrier thermal escape from a quantum dot to the wetting layer and to the InP matrix, followed by transport, recapture or non-radiative recombination. Our model reproduces the temperature dependence of the emission of each family of quantum dots with a single set of parameters. We find that the main escape mechanism of the carriers confined in the quantum dots is through thermal emission to the wetting layer. The activation energy for this process is found to be close to one-half the energy difference between that of a given family of quantum dots and that of the wetting layer as measured by photoluminescence excitation experiments. This indicates that electron and holes exit the InAs quantum dots as correlated pairs

Analysis, Isolation, and Activation of Antigen-Specific CD4 + and CD8+ T Cells by Soluble MHC-Peptide Complexes

T cells constitute the core of adaptive cellular immunity and protect higher organisms against pathogen infections and cancer. Monitoring of disease progression as well as prophylactic or therapeutic vaccines and immunotherapies call for conclusive detection, analysis, and sorting of antigen-specific T cells. This is possible by means of soluble recombinant ligands for T cells, i.e., MHC class I-peptide (pMHC I) complexes for CD8(+) T cells and MHC class II-peptide (pMHC II) complexes for CD4(+) T cells and flow cytometry. Here we review major developments in the development of pMHC staining reagents and their diverse applications and discuss perspectives of their use for basic and clinical investigations