Full spin and spatial symmetry adapted technique for correlated electronic hamiltonians: Application to an icosahedral cluster

One of the long standing problems in quantum chemistry had been the inability to exploit full spatial and spin symmetry of an electronic Hamiltonian belonging to a non-Abelian point group. Here, we present a general technique which can utilize all the symmetries of an electronic (magnetic) Hamiltonian to obtain its full eigenvalue spectrum. This is a hybrid method based on Valence Bond basis and the basis of constant z-component of the total spin. This technique is applicable to systems with any point group symmetry and is easy to implement on a computer. We illustrate the power of the method by applying it to a model icosahedral half-filled electronic system. This model spans a huge Hilbert space (dimension 1,778,966) and in the largest non-Abelian point group. The C60 molecule has this symmetry and hence our calculation throw light on the higher energy excited states of the bucky ball. This method can also be utilized to study finite temperature properties of strongly correlated systems within an exact diagonalization approach. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012

Exact entanglement studies of strongly correlated systems: role of long-range interactions and symmetries of the system

We study the bipartite entanglement of strongly correlated systems using exact diagonalization techniques. In particular, we examine how the entanglement changes in the presence of long-range interactions by studying the Pariser-Parr-Pople model with long-range interactions. We compare the results for this model with those obtained for the Hubbard and Heisenberg models with short-range interactions. This study helps us to understand why the density matrix renormalization group (DMRG) technique is so successful even in the presence of long-range interactions. To better understand the behavior of long-range interactions and why the DMRG works well with it, we study the entanglement spectrum of the ground state and a few excited states of finite chains. We also investigate if the symmetry properties of a state vector have any significance in relation to its entanglement. Finally, we make an interesting observation on the entanglement profiles of different states (across the energy spectrum) in comparison with the corresponding profile of the density of states. We use isotropic chains and a molecule with non-Abelian symmetry for these numerical investigations.

Compressed acquisition of correlated signals

Distributed compressed sensing exploits information redundancy, inbuilt in multi-signal ensembles with interas well as intra-signal correlations, to reconstruct undersampled signals. In this paper we revisit this problem, albeit from a different perspective, of taking streaming data, from several correlated sources, as input to a real time system which, without any a priori information, incrementally learns and admits each source into the system.

Influence of crack parameters on wavelet energy correlated damage index

This paper illustrates a Wavelet Coefficient based approach using experiments to understand the sensitivity of ultrasonic signals due to parametric variation of a crack configuration in a metal plate. A PZT patch sensor/actuator system integrated to a metal plate with through-thickness crack is used. The proposed approach uses piezoelectric patches, which can be used to both actuate and sense the ultrasonic signals. While this approach leads to more flexibility and reduced cost for larger scalability of the sensor/actuator network, the complexity of the signals increases as compared to what is encountered in conventional ultrasonic NDE problems using selective wave modes. A Damage Index (DI) has been introduced, which is function of wavelet coefficient. Experiments have been carried out for various crack sizes, crack orientations and band-limited tone-burst signal through FIR filter. For a 1 cm long crack interrogated with 20 kHz tone-burst signal, the Damage Index (DI) for the horizontal crack orientation increases by about 70% with respect to that for 135 degrees oriented crack and it increases by about 33% with respect to the vertically oriented crack. The detailed results reported in this paper is a step forward to developing computational schemes for parametric identification of damage using sensor/actuator network and ultrasonic wave.

Correlated Conductance Fluctuations Close to the Berezinskii-Kosterlitz-Thouless Transition in Ultrathin NbN Films

We probe the presence of long-range correlations in phase fluctuations by analyzing the higher-order spectrum of resistance fluctuations in ultrathin NbN superconducting films. The non-Gaussian component of resistance fluctuations is found to be sensitive to film thickness close to the transition, which allows us to distinguish between mean field and Berezinskii-Kosterlitz-Thouless (BKT) type superconducting transitions. The extent of non-Gaussianity was found to be bounded by the BKT and mean field transition temperatures and depends strongly on the roughness and structural inhomogeneity of the superconducting films. Our experiment outlines a novel fluctuation-based kinetic probe in detecting the nature of superconductivity in disordered low-dimensional materials.

A distributed TDMA slot scheduling algorithm for spatially correlated contention in WSNs

In wireless sensor networks (WSNs) the communication traffic is often time and space correlated, where multiple nodes in a proximity start transmitting at the same time. Such a situation is known as spatially correlated contention. The random access methods to resolve such contention suffers from high collision rate, whereas the traditional distributed TDMA scheduling techniques primarily try to improve the network capacity by reducing the schedule length. Usually, the situation of spatially correlated contention persists only for a short duration and therefore generating an optimal or sub-optimal schedule is not very useful. On the other hand, if the algorithm takes very large time to schedule, it will not only introduce additional delay in the data transfer but also consume more energy. To efficiently handle the spatially correlated contention in WSNs, we present a distributed TDMA slot scheduling algorithm, called DTSS algorithm. The DTSS algorithm is designed with the primary objective of reducing the time required to perform scheduling, while restricting the schedule length to maximum degree of interference graph. The algorithm uses randomized TDMA channel access as the mechanism to transmit protocol messages, which bounds the message delay and therefore reduces the time required to get a feasible schedule. The DTSS algorithm supports unicast, multicast and broadcast scheduling, simultaneously without any modification in the protocol. The protocol has been simulated using Castalia simulator to evaluate the run time performance. Simulation results show that our protocol is able to considerably reduce the time required to schedule.

Doping a Correlated Band Insulator: A New Route to Half-Metallic Behavior

We demonstrate in a simple model the surprising result that turning on an on-site Coulomb interaction U in a doped band insulator leads to the formation of a half-metallic state. In the undoped system, we show that increasing U leads to a first order transition at a finite value U-AF between a paramagnetic band insulator and an antiferomagnetic Mott insulator. Upon doping, the system exhibits half-metallic ferrimagnetism over a wide range of doping and interaction strengths on either side of U-AF. Our results, based on dynamical mean field theory, suggest a new route to half metallicity, and will hopefully motivate searches for new materials for spintronics.

Exact Solution of the PPP Model for Correlated Electronic States of Tetracene and Substituted Tetracene

Tetracene is an important conjugated molecule for device applications. We have used the diagrammatic valence bond method to obtain the desired states, in a Hilbert space of about 450 million singlets and 902 million triplets. We have also studied the donor/acceptor (D/A)-substituted tetracenes with D and A groups placed symmetrically about the long axis of the molecule. In these cases, by exploiting a new symmetry, which is a combination of C-2 symmetry and electron-hole symmetry, we are able to obtain their low-lying states. In the case of substituted tetracene, we find that optically allowed one-photon excitation gaps reduce with increasing D/A strength, while the lowest singlet triplet gap is only wealdy affected. In all the systems we have studied, the excited singlet state, S-i, is at more than twice the energy of the lowest triplet state and the second triplet is very close to the S-1 state. Thus, donor-acceptor-substituted tetracene could be a good candidate in photovoltaic device application as it satisfies energy criteria for singlet fission. We have also obtained the model exact second harmonic generation (SHG) coefficients using the correction vector method, and we find that the SHG responses increase with the increase in D/A strength.

Domain size correlated magnetic properties and electrical impedance of size dependent nickel ferrite nanoparticles

We report here the investigations on the size dependent variation of magnetic properties of nickel ferrite nanoparticles. Nickel ferrite nanoparticles of different sizes (14 to 22 nm) were prepared by the sol-gel route at different annealing temperatures. They are characterized by TGA-DTA, XRD, SEM, TEM and Raman spectroscopy techniques for the confirmation of the temperature of phase formation, thermal stability, crystallinity, morphology and structural status of the nickel ferrite nanoparticles. The magnetization studies revealed that the saturation magnetization (M-s), retentivity (M-r) increase, while coercivity (H-c) and anisotropy (K-eff) decrease as the particle size increases. The observed value of M-s is found to be relatively higher for a particle size of 22 nm. In addition, we have estimated the magnetic domain size using magnetic data and correlated to the average particle size. The calculated magnetic domain size is closely matching with the particle size estimated from XRD. Impedance spectroscopy was employed to study the samples in an equivalent circuit to understand their transport phenomena. It shows that nickel ferrite nanoparticles exhibit a non-Debye behavior with increasing particle size due to the influence of increasing disorders, surface effects, grain size and grain boundaries, etc. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

A Distributed TDMA Slot Scheduling Algorithm for Spatially Correlated Contention in WSNs

In WSNs the communication traffic is often time and space correlated, where multiple nodes in a proximity start transmitting simultaneously. Such a situation is known as spatially correlated contention. The random access method to resolve such contention suffers from high collision rate, whereas the traditional distributed TDMA scheduling techniques primarily try to improve the network capacity by reducing the schedule length. Usually, the situation of spatially correlated contention persists only for a short duration, and therefore generating an optimal or suboptimal schedule is not very useful. Additionally, if an algorithm takes very long time to schedule, it will not only introduce additional delay in the data transfer but also consume more energy. In this paper, we present a distributed TDMA slot scheduling (DTSS) algorithm, which considerably reduces the time required to perform scheduling, while restricting the schedule length to the maximum degree of interference graph. The DTSS algorithm supports unicast, multicast, and broadcast scheduling, simultaneously without any modification in the protocol. We have analyzed the protocol for average case performance and also simulated it using Castalia simulator to evaluate its runtime performance. Both analytical and simulation results show that our protocol is able to considerably reduce the time required for scheduling.

Performance of OFDM Systems With Best-m Feedback, Scheduling, and Delays for Uniformly Correlated Subchannels

Contemporary cellular standards, such as Long Term Evolution (LTE) and LTE-Advanced, employ orthogonal frequency-division multiplexing (OFDM) and use frequency-domain scheduling and rate adaptation. In conjunction with feedback reduction schemes, high downlink spectral efficiencies are achieved while limiting the uplink feedback overhead. One such important scheme that has been adopted by these standards is best-m feedback, in which every user feeds back its m largest subchannel (SC) power gains and their corresponding indices. We analyze the single cell average throughput of an OFDM system with uniformly correlated SC gains that employs best-m feedback and discrete rate adaptation. Our model incorporates three schedulers that cover a wide range of the throughput versus fairness tradeoff and feedback delay. We show that, for small m, correlation significantly reduces average throughput with best-m feedback. This result is pertinent as even in typical dispersive channels, correlation is high. We observe that the schedulers exhibit varied sensitivities to correlation and feedback delay. The analysis also leads to insightful expressions for the average throughput in the asymptotic regime of a large number of users.

Throughput Analysis of Best-m Feedback in OFDM Systems with Uniformly Correlated Subchannels

Practical orthogonal frequency division multiplexing (OFDM) systems, such as Long Term Evolution (LTE), exploit multi-user diversity using very limited feedback. The best-m feedback scheme is one such limited feedback scheme, in which users report only the gains of their m best subchannels (SCs) and their indices. While the scheme has been extensively studied and adopted in standards such as LTE, an analysis of its throughput for the practically important case in which the SCs are correlated has received less attention. We derive new closed-form expressions for the throughput when the SC gains of a user are uniformly correlated. We analyze the performance of the greedy but unfair frequency-domain scheduler and the fair round-robin scheduler for the general case in which the users see statistically non-identical SCs. An asymptotic analysis is then developed to gain further insights. The analysis and extensive numerical results bring out how correlation reduces throughput.

Electronic Structure Evolution across the Peierls Metal-Insulator Transition in a Correlated Ferromagnet

Transition metal compounds often undergo spin-charge-orbital ordering due to strong electron-electron correlations. In contrast, low-dimensional materials can exhibit a Peierls transition arising from low-energy electron-phonon-coupling-induced structural instabilities. We study the electronic structure of the tunnel framework compound K2Cr8O16, which exhibits a temperature-dependent (T-dependent) paramagnetic-to-ferromagnetic- metal transition at T-C = 180 K and transforms into a ferromagnetic insulator below T-MI = 95 K. We observe clear T-dependent dynamic valence (charge) fluctuations from above T-C to T-MI, which effectively get pinned to an average nominal valence of Cr+3.75 (Cr4+:Cr3+ states in a 3:1 ratio) in the ferromagnetic-insulating phase. High-resolution laser photoemission shows a T-dependent BCS-type energy gap, with 2G(0) similar to 3.5(k(B)T(MI)) similar to 35 meV. First-principles band-structure calculations, using the experimentally estimated on-site Coulomb energy of U similar to 4 eV, establish the necessity of strong correlations and finite structural distortions for driving the metal-insulator transition. In spite of the strong correlations, the nonintegral occupancy (2.25 d-electrons/Cr) and the half-metallic ferromagnetism in the t(2g) up-spin band favor a low-energy Peierls metal-insulator transition.

Observation of correlated spin-orbit order in a strongly anisotropic quantum wire system

Quantum wires with spin-orbit coupling provide a unique opportunity to simultaneously control the coupling strength and the screened Coulomb interactions where new exotic phases of matter can be explored. Here we report on the observation of an exotic spin-orbit density wave in Pb-atomic wires on Si(557) surfaces by mapping out the evolution of the modulated spin-texture at various conditions with spin-and angle-resolved photoelectron spectroscopy. The results are independently quantified by surface transport measurements. The spin polarization, coherence length, spin dephasing rate and the associated quasiparticle gap decrease simultaneously as the screened Coulomb interaction decreases with increasing excess coverage, providing a new mechanism for generating and manipulating a spin-orbit entanglement effect via electronic interaction. Despite clear evidence of spontaneous spin-rotation symmetry breaking and modulation of spin-momentum structure as a function of excess coverage, the average spin polarization over the Brillouin zone vanishes, indicating that time-reversal symmetry is intact as theoretically predicted.

RD-TDMA: A Randomized and Distributed TDMA Scheduling for Correlated Contention in WSNs

In wireless sensor networks (WSNs), contention occurs when two or more nodes in a proximity simultaneously try to access the channel. The contention causes collisions, which are very likely to occur when traffic is correlated. The excessive collision not only affects the reliability and the QoS of the application, but also the lifetime of the network. It is well-known that random access mechanisms do not efficiently handle correlated-contention, and therefore, suffer from high collision rate. Most of the existing TDMA scheduling techniques try to find an optimal or a sub-optimal schedule. Usually, the situation of correlated-contention persists only for a short duration, and therefore, it is not worthwhile to take a long time to generate an optimal or a sub-optimal schedule. We propose a randomized distributed TDMA scheduling (RD-TDMA) algorithm to quickly generate a feasible schedule (not necessarily optimal) to handle correlated-contention in WSNs. In RD-TDMA, a node in the network negotiates a slot with its neighbors using the message exchange mechanism. The proposed protocol has been simulated using the Castalia simulator to evaluate its runtime performance. Simulation results show that the RD-TDMA algorithm considerably reduces the time required to schedule.