Structure and correlation effects in semiconducting SrTiO₃

We have investigated the effects of structure change and electron correlation on SrTiO₃ single crystals using angle-resolved photoemission spectroscopy. We show that the cubic to tetragonal phase transition at 105 K is manifested by a charge transfer from in-plane (dyz and dzx) bands to out-of-plane (dxy) band, which is opposite to the theoretical predictions. Along this second-order phase transition, we find a smooth evolution of the quasiparticle strength and effective masses. The in-plane band exhibits a peak-dip-hump lineshape, indicating a high degree of correlation on a relatively large (170 meV) energy scale, which is attributed to the polaron formation

Theory of impedance networks: The two-point impedance and LC resonances

We present a formulation of the determination of the impedance between any two nodes in an impedance network. An impedance network is described by its Laplacian matrix L which has generally complex matrix elements. We show that by solving the equation L u_a = lambda_a u_a^* with orthonormal vectors u_a, the effective impedance between nodes p and q of the network is Z = Sum_a [u_{a,p} - u_{a,q}]^2/lambda_a where the summation is over all lambda_a not identically equal to zero and u_{a,p} is the p-th component of u_a. For networks consisting of inductances (L) and capacitances (C), the formulation leads to the occurrence of resonances at frequencies associated with the vanishing of lambda_a. This curious result suggests the possibility of practical applications to resonant circuits. Our formulation is illustrated by explicit examples.Comment: 21 pages, 3 figures; v4: typesetting corrected; v5: Eq. (63) correcte

Rate-dependent morphology of Li2O2 growth in Li-O2 batteries

Compact solid discharge products enable energy storage devices with high gravimetric and volumetric energy densities, but solid deposits on active surfaces can disturb charge transport and induce mechanical stress. In this Letter we develop a nanoscale continuum model for the growth of Li2O2 crystals in lithium-oxygen batteries with organic electrolytes, based on a theory of electrochemical non-equilibrium thermodynamics originally applied to Li-ion batteries. As in the case of lithium insertion in phase-separating LiFePO4 nanoparticles, the theory predicts a transition from complex to uniform morphologies of Li2O2 with increasing current. Discrete particle growth at low discharge rates becomes suppressed at high rates, resulting in a film of electronically insulating Li2O2 that limits cell performance. We predict that the transition between these surface growth modes occurs at current densities close to the exchange current density of the cathode reaction, consistent with experimental observations.Comment: 8 pages, 6 fig

Induced magnetism of carbon atoms at the graphene/Ni(111) interface

We report an element-specific investigation of electronic and magnetic properties of the graphene/Ni(111) system. Using magnetic circular dichroism, the occurrence of an induced magnetic moment of the carbon atoms in the graphene layer aligned parallel to the Ni 3d magnetization is observed. We attribute this magnetic moment to the strong hybridization between C $\pi$ and Ni 3d valence band states. The net magnetic moment of carbon in the graphene layer is estimated to be in the range of $0.05-0.1 \mu_B$ per atom.Comment: 10 pages, 3 figure

Using a neural network approach for muon reconstruction and triggering

The extremely high rate of events that will be produced in the future Large Hadron Collider requires the triggering mechanism to take precise decisions in a few nano-seconds. We present a study which used an artificial neural network triggering algorithm and compared it to the performance of a dedicated electronic muon triggering system. Relatively simple architecture was used to solve a complicated inverse problem. A comparison with a realistic example of the ATLAS first level trigger simulation was in favour of the neural network. A similar architecture trained after the simulation of the electronics first trigger stage showed a further background rejection.Comment: A talk given at ACAT03, KEK, Japan, November 2003. Submitted to Nuclear Instruments and Methods in Physics Research, Section

Enhanced electron correlations, local moments, and Curie temperature in strained MnAs nanocrystals embedded in GaAs

We have studied the electronic structure of hexagonal MnAs, as epitaxial continuous film on GaAs(001) and as nanocrystals embedded in GaAs, by Mn 2p core-level photoemission spectroscopy. Configuration-interaction analyses based on a cluster model show that the ground state of the embedded MnAs nanocrystals is dominated by a d5 configuration that maximizes the local Mn moment. Nanoscaling and strain significantly alter the properties of MnAs. Internal strain in the nanocrystals results in reduced p-d hybridization and enhanced ionic character of the Mn-As bonding interactions. The spatial confinement and reduced p-d hybridization in the nanocrystals lead to enhanced d-electron localization, triggering d-d electron correlations and enhancing local Mn moments. These changes in the electronic structure of MnAs have an advantageous effect on the Curie temperature of the nanocrystals, which is measured to be remarkably higher than that of bulk MnAs.Comment: 4 figures, 2 table

Compatibility Relations between the Reduced and Global Density Matrixes

It is a hard and important problem to find the criterion of the set of positive-definite matrixes which can be written as reduced density operators of a multi-partite quantum state. This problem is closely related to the study of many-body quantum entanglement which is one of the focuses of current quantum information theory. We give several results on the necessary compatibility relations between a set of reduced density matrixes, including: (i) compatibility conditions for the one-party reduced density matrixes of any $N_A\times N_B$ dimensional bi-partite mixed quantum state, (ii) compatibility conditions for the one-party and two-party reduced density matrixes of any $N_A\times N_B\times N_C$ dimensional tri-partite mixed quantum state, and (iii) compatibility conditions for the one-party reduced matrixes of any $M$-partite pure quantum state with the dimension $N^{\otimes M}$.Comment: 14 page

Prediction and classification for GPCR sequences based on ligand specific features

Functional identification of G-Protein Coupled Receptors (GPCRs) is one of the current focus areas of pharmaceutical research. Although thousands of GPCR sequences are known, many of them are orphan sequences (the activating ligand is unknown). Therefore, classification methods for automated characterization of orphan GPCRs are imperative. In this study, for predicting Level 1 subfamilies of GPCRs, a novel method for obtaining class specific features, based on the existence of activating ligand specific patterns, has been developed and utilized for a majority voting classification. Exploiting the fact that there is a non-promiscuous relationship between the specific binding of GPCRs into their ligands and their functional classification, our method classifies Level 1 subfamilies of GPCRs with a high predictive accuracy between 99% and 87% in a three-fold cross validation test. The method also tells us which motifs are significant for class determination which has important design implications. The presented machine learning approach, bridges the gulf between the excess amount of GPCR sequence data and their poor functional characterization

On the Triality Theory for a Quartic Polynomial Optimization Problem

This paper presents a detailed proof of the triality theorem for a class of fourth-order polynomial optimization problems. The method is based on linear algebra but it solves an open problem on the double-min duality left in 2003. Results show that the triality theory holds strongly in a tri-duality form if the primal problem and its canonical dual have the same dimension; otherwise, both the canonical min-max duality and the double-max duality still hold strongly, but the double-min duality holds weakly in a symmetrical form. Four numerical examples are presented to illustrate that this theory can be used to identify not only the global minimum, but also the largest local minimum and local maximum.Comment: 16 pages, 1 figure; J. Industrial and Management Optimization, 2011. arXiv admin note: substantial text overlap with arXiv:1104.297