Linear scaling computation of the Fock matrix. IX. Parallel computation of the Coulomb matrix

We present parallelization of a quantum-chemical tree-code [J. Chem. Phys. {\bf 106}, 5526 (1997)] for linear scaling computation of the Coulomb matrix. Equal time partition [J. Chem. Phys. {\bf 118}, 9128 (2003)] is used to load balance computation of the Coulomb matrix. Equal time partition is a measurement based algorithm for domain decomposition that exploits small variation of the density between self-consistent-field cycles to achieve load balance. Efficiency of the equal time partition is illustrated by several tests involving both finite and periodic systems. It is found that equal time partition is able to deliver 91 -- 98 % efficiency with 128 processors in the most time consuming part of the Coulomb matrix calculation. The current parallel quantum chemical tree code is able to deliver 63 -- 81% overall efficiency on 128 processors with fine grained parallelism (less than two heavy atoms per processor).Comment: 7 pages, 6 figure

Interlayer couplings and the coexistence of antiferromagnetic and d-wave pairing order in multilayer cuprates

A more extended low density region of coexisting uniform antiferromagnetism and d-wave superconductivity has been reported in multilayer cuprates, when compared to single or bilayer cuprates. This coexistence could be due to the enhanced screening of random potential modulations in inner layers or to the interlayer Heisenberg and Josephson couplings. A theoretical analysis using a renormalized mean field theory, favors the former explanation. The potential for an improved determination of the antiferromagnetic and superconducting order parameters in an ideal single layer from zero field NMR and infrared Josephson plasma resonances in multilayer cuprates is discussed.Comment: 6 pages, 2 figure

Superconducting Pairing Symmetries in Anisotropic Triangular Quantum Antiferromagnets

Motivated by the recent discovery of a low temperature spin liquid phase in layered organic compound $\kappa$-(ET)$_2$Cu$_2$(CN)$_3$ which becomes a superconductor under pressure, we examine the phase transition of Mott insulating and superconducting (SC) states in a Hubbard-Heisenberg model on an anisotropic triangular lattice. We use a renormalized mean field theory to study the Gutzwiller projected BCS wavefucntions. The half filled electron system is a Mott insulator at large on-site repulsion $U$, and is a superconductor at a moderate $U$. The symmetry of the SC state depends on the anisotropy, and is gapful with $d_{x^2-y^2}+id_{xy}$ symmetry near the isotropic limit and is gapless with $d_{x^2-y^2}$ symmetry at small anisotropy ratio.Comment: 6 pages, 5 figure

Theory for Gossamer and Resonating Valence Bond Superconductivity

We use an effective Hamiltonian for two-dimensional Hubbard model including an antiferromagnetic spin-spin coupling term to study recently proposed gossamer superconductivity. We formulate a renormalized mean field theory to approximately take into account the strong correlation effect in the partially projected Gutzwiller wavefucntions. At the half filled, there is a first order phase transition to separate a Mott insulator at large Coulomb repulsion U from a gossamer superconductor at small U. Away from the half filled,the Mott insulator is evolved into an resonating valence bond state, which is adiabatically connected to the gossamer superconductor.Comment: 10 pages, 13 figure

Top quark pair production via polarized and unpolarized photons in Supersymmetric QCD

QCD corrections to top quark pair production via fusion of both polarized and unpolarized photons are calculated in Supersymmetric Model. The corrections are found to be sizable. The dependence of the corrections on the masses of the supersymmetric particles is also investigated. Furthermore, we studied CP asymmetry effects arising from the complex couplings in the MSSM. The CP violating parameter can reach $10^{-2}$ for favorable parameter values.Comment: 26 pages, LaTex, including 12 figures in 12 eps files. submitted to Phys. Rev.

Destruction of long-range antiferromagnetic order by hole doping

We study the renormalization of the staggered magnetization of a two-dimensional antiferromagnet as a function of hole doping, in the framework of the t-J model. It is shown that the motion of holes generates decay of spin waves into ''particle-hole'' pairs, which causes the destruction of the long-range magnetic order at a small hole concentration. This effect is mainly determined by the coherent motion of holes. The value obtained for the critical hole concentration, of a few percent, is consistent with experimental data for the doped copper oxide high-Tc superconductors.Comment: 12 pages, 2 figure

Experimental verification of the "rainbow" trapping effect in plasmonic graded gratings

We report the first experimental observation of trapped rainbow1 in graded metallic gratings2-4, designed to validate theoretical predictions for this new class of plasmonic structures. One-dimensional tapered gratings were fabricated and their surface dispersion properties tailored by varying the grating period and depth, whose dimensions were confirmed by atomic force microscopy. Reduced group velocities and the plasmonic bandgap were observed. Direct measurements on graded grating structures show that light of different wavelengths in the 500-700nm region is "trapped" at different positions along the grating, consistent with computer simulations, thus verifying the "rainbow" trapping effect. The trapped rainbow effect offers exciting pathways for optical information storage and optical delays in photonic circuits at ambient temperature

MgO barrier-perpendicular magnetic tunnel junctions with CoFe/Pd multilayers and ferromagnetic insertion layers

The authors studied an effect of ferromagnetic (Co20Fe60B20 or Fe) layer insertion on tunnel magnetoresistance (TMR) properties of MgO-barrier magnetic tunnel junctions (MTJs) with CoFe/Pd multilayer electrodes. TMR ratio in MTJs with CoFeB/MgO/Fe stack reached 67% at an-nealing temperature (Ta) of 200 degree C and then decreased rapidly at Ta over 250 degree C. The degradation of the TMR ratio may be related to crystallization of CoFe(B) into fcc(111) or bcc(011) texture result-ing from diffusion of B into Pd layers. MTJs which were in-situ annealed at 350oC just after depo-siting bottom CoFe/Pd multilayer showed TMR ratio of 78% by post annealing at Ta =200 degree C.Comment: 12 pages, 4 figure

Measurement of the small-scale structure of the intergalactic medium using close quasar pairs

The distribution of diffuse gas in the intergalactic medium (IGM) imprints a series of hydrogen absorption lines on the spectra of distant background quasars known as the Lyman-$\alpha$ forest. Cosmological hydrodynamical simulations predict that IGM density fluctuations are suppressed below a characteristic scale where thermal pressure balances gravity. We measured this pressure-smoothing scale by quantifying absorption correlations in a sample of close quasar pairs. We compared our measurements to hydrodynamical simulations, where pressure smoothing is determined by the integrated thermal history of the IGM. Our findings are consistent with standard models for photoionization heating by the ultraviolet radiation backgrounds that reionized the universe.Comment: Accepted for publication on Scienc

Towards run-time monitoring of web services conformance to business-level agreements

Web service behaviour is currently specified in a mixture of ways, often using methods that are only partially complete. These range from static functional specifications, based on interfaces in WSDL and preconditions in RIF, to business process simulations using executable process-based models such as BPEL, to detailed quality of service (QoS) agreements laid down in a service level agreement (SLA). This paper recognises that something similar to a SLA is required at the higher business level to govern the contract between service producers, brokers and consumers. We call this a business level agreement (BLA) and within this framework, seek to unify disparate aspects of functional specification, QoS and run-time verification. We propose that the method for validating a web service with respect to its advertised BLA should be based on run-time service monitoring. This is a position paper towards defining these goals