Quasiparticle properties of DNA bases from GW calculations in a Wannier basis
NASA Astrophysics Data System (ADS)
Qian, Xiaofeng; Marzari, Nicola; Umari, Paolo
2009-03-01
The quasiparticle GW-Wannier (GWW) approach [1] has been recently developed to overcome the size limitations of conventional planewave GW calculations. By taking advantage of the localization properties of the maximally-localized Wannier functions and choosing a small set of polarization basis we reduce the number of Bloch wavefunctions products required for the evaluation of dynamical polarizabilities, and in turn greatly reduce memory requirements and computational efficiency. We apply GWW to study quasiparticle properties of different DNA bases and base-pairs, and solvation effects on the energy gap, demonstrating in the process the key advantages of this approach. [1] P. Umari,G. Stenuit, and S. Baroni, cond-mat/0811.1453
Dynamics of correlation-frozen antinodal quasiparticles in superconducting cuprates
Cilento, Federico; Manzoni, Giulia; Sterzi, Andrea; Peli, Simone; Ronchi, Andrea; Crepaldi, Alberto; Boschini, Fabio; Cacho, Cephise; Chapman, Richard; Springate, Emma; Eisaki, Hiroshi; Greven, Martin; Berciu, Mona; Kemper, Alexander F.; Damascelli, Andrea; Capone, Massimo; Giannetti, Claudio; Parmigiani, Fulvio
2018-01-01
Many puzzling properties of high–critical temperature (Tc) superconducting (HTSC) copper oxides have deep roots in the nature of the antinodal quasiparticles, the elementary excitations with wave vector parallel to the Cu–O bonds. These electronic states are most affected by the onset of antiferromagnetic correlations and charge instabilities, and they host the maximum of the anisotropic superconducting gap and pseudogap. We use time-resolved extreme-ultraviolet photoemission with proper photon energy (18 eV) and time resolution (50 fs) to disclose the ultrafast dynamics of the antinodal states in a prototypical HTSC cuprate. After photoinducing a nonthermal charge redistribution within the Cu and O orbitals, we reveal a dramatic momentum-space differentiation of the transient electron dynamics. Whereas the nodal quasiparticle distribution is heated up as in a conventional metal, new quasiparticle states transiently emerge at the antinodes, similarly to what is expected for a photoexcited Mott insulator, where the frozen charges can be released by an impulsive excitation. This transient antinodal metallicity is mapped into the dynamics of the O-2p bands, thus directly demonstrating the intertwining between the low- and high-energy scales that is typical of correlated materials. Our results suggest that the correlation-driven freezing of the electrons moving along the Cu–O bonds, analogous to the Mott localization mechanism, constitutes the starting point for any model of high-Tc superconductivity and other exotic phases of HTSC cuprates. PMID:29507885
Measurement and control of quasiparticle dynamics in a superconducting qubit.
Wang, C; Gao, Y Y; Pop, I M; Vool, U; Axline, C; Brecht, T; Heeres, R W; Frunzio, L; Devoret, M H; Catelani, G; Glazman, L I; Schoelkopf, R J
2014-12-18
Superconducting circuits have attracted growing interest in recent years as a promising candidate for fault-tolerant quantum information processing. Extensive efforts have always been taken to completely shield these circuits from external magnetic fields to protect the integrity of the superconductivity. Here we show vortices can improve the performance of superconducting qubits by reducing the lifetimes of detrimental single-electron-like excitations known as quasiparticles. Using a contactless injection technique with unprecedented dynamic range, we quantitatively distinguish between recombination and trapping mechanisms in controlling the dynamics of residual quasiparticle, and show quantized changes in quasiparticle trapping rate because of individual vortices. These results highlight the prominent role of quasiparticle trapping in future development of superconducting qubits, and provide a powerful characterization tool along the way.
Kondo dynamics of quasiparticle tunneling in a two-reservoir Anderson model.
Hong, Jongbae
2011-07-13
We study the Kondo dynamics in a two-reservoir Anderson impurity model in which quasiparticle tunneling occurs between two reservoirs. We show that singlet hopping is an essential component of Kondo dynamics in the quasiparticle tunneling. We prove that two resonant tunneling levels exist in the two-reservoir Anderson impurity model and the quasiparticle tunnels through one of these levels when a bias is applied. The Kondo dynamics is explained by obtaining the retarded Green's function. We obtain the analytic expressions of the spectral weights of coherent peaks by analyzing the Green's function at the atomic limit.
Quasiparticle and optical properties of strained stanene and stanane.
Lu, Pengfei; Wu, Liyuan; Yang, Chuanghua; Liang, Dan; Quhe, Ruge; Guan, Pengfei; Wang, Shumin
2017-06-20
Quasiparticle band structures and optical properties of two dimensional stanene and stanane (fully hydrogenated stanene) are studied by the GW and GW plus Bethe-Salpeter equation (GW-BSE) approaches, with inclusion of the spin-orbit coupling (SOC). The SOC effect is significant for the electronic and optical properties in both stanene and stanane, compared with their group IV-enes and IV-anes counterparts. Stanene is a semiconductor with a quasiparticle band gap of 0.10 eV. Stanane has a sizable band gap of 1.63 eV and strongly binding exciton with binding energy of 0.10 eV. Under strain, the quasiparticle band gap and optical spectrum of both stanene and stanane are tunable.
Truncik, C J S; Huttema, W A; Turner, P J; Ozcan, S; Murphy, N C; Carrière, P R; Thewalt, E; Morse, K J; Koenig, A J; Sarrao, J L; Broun, D M
2013-01-01
CeCoIn₅ is a heavy fermion superconductor with strong similarities to the high-Tc cuprates, including quasi-two-dimensionality, proximity to antiferromagnetism and probable d-wave pairing arising from a non-Fermi-liquid normal state. Experiments allowing detailed comparisons of their electronic properties are of particular interest, but in most cases are difficult to realize, due to their very different transition temperatures. Here we use low-temperature microwave spectroscopy to study the charge dynamics of the CeCoIn₅ superconducting state. The similarities to cuprates, in particular to ultra-clean YBa₂Cu₃O(y), are striking: the frequency and temperature dependence of the quasiparticle conductivity are instantly recognizable, a consequence of rapid suppression of quasiparticle scattering below T(c); and penetration-depth data, when properly treated, reveal a clean, linear temperature dependence of the quasiparticle contribution to superfluid density. The measurements also expose key differences, including prominent multiband effects and a temperature-dependent renormalization of the quasiparticle mass.
Fu, Bo; Zhu, Wei; Shi, Qinwei; Li, Qunxiang; Yang, Jinlong; Zhang, Zhenyu
2017-04-07
Exploiting the enabling power of the Lanczos method in momentum space, we determine accurately the quasiparticle and scaling properties of disordered three-dimensional Dirac semimetals surrounding the quantum critical point separating the semimetal and diffusive metal regimes. We unveil that the imaginary part of the quasiparticle self-energy obeys a common power law before, at, and after the quantum phase transition, but the power law is nonuniversal, whose exponent is dependent on the disorder strength. More intriguingly, whereas a common power law is also found for the real part of the self-energy before and after the phase transition, a distinctly different behavior is identified at the critical point, characterized by the existence of a nonanalytic logarithmic singularity. This nonanalytical correction serves as the very basis for the unusual power-law behaviors of the quasiparticles and many other physical properties surrounding the quantum critical point. Our approach also allows the ready and reliable determination of the scaling properties of the correlation length and dynamical exponents. We further show that the central findings are valid for both uncorrelated and correlated disorder distributions and should be directly comparable with future experimental observations.
Fu, Bo; Zhu, Wei; Shi, Qinwei; ...
2017-04-03
Exploiting the enabling power of the Lanczos method in momentum space, we determine accurately the quasiparticle and scaling properties of disordered three-dimensional Dirac semimetals surrounding the quantum critical point separating the semimetal and diffusive metal regimes. We unveil that the imaginary part of the quasiparticle self-energy obeys a common power law before, at, and after the quantum phase transition, but the power law is nonuniversal, whose exponent is dependent on the disorder strength. More intriguingly, whereas a common power law is also found for the real part of the self-energy before and after the phase transition, a distinctly different behaviormore » is identified at the critical point, characterized by the existence of a nonanalytic logarithmic singularity. This nonanalytical correction serves as the very basis for the unusual power-law behaviors of the quasiparticles and many other physical properties surrounding the quantum critical point. Our approach also allows the ready and reliable determination of the scaling properties of the correlation length and dynamical exponents. Furthermore, we show that the central findings are valid for both uncorrelated and correlated disorder distributions and should be directly comparable with future experimental observations.« less
Quasiparticles in condensed matter systems
NASA Astrophysics Data System (ADS)
Wölfle, Peter
2018-03-01
Quasiparticles are a powerful concept of condensed matter quantum theory. In this review, the appearence and the properties of quasiparticles are presented in a unifying perspective. The principles behind the existence of quasiparticle excitations in both quantum disordered and ordered phases of fermionic and bosonic systems are discussed. The lifetime of quasiparticles is considered in particular near a continuous classical or quantum phase transition, when the nature of quasiparticles on both sides of a transition into an ordered state changes. A new concept of critical quasiparticles near a quantum critical point is introduced, and applied to quantum phase transitions in heavy fermion metals. Fractional quasiparticles in systems of restricted dimensionality are reviewed. Dirac quasiparticles emerging in so-called Dirac materials are discussed. The more recent discoveries of topologically protected chiral quasiparticles in topological matter and Majorana quasiparticles in topological superconductors are briefly reviewed.
Inflationary Quasiparticle Creation and Thermalization Dynamics in Coupled Bose-Einstein Condensates
NASA Astrophysics Data System (ADS)
Posazhennikova, Anna; Trujillo-Martinez, Mauricio; Kroha, Johann
2016-06-01
A Bose gas in a double-well potential, exhibiting a true Bose-Einstein condensate (BEC) amplitude and initially performing Josephson oscillations, is a prototype of an isolated, nonequilibrium many-body system. We investigate the quasiparticle (QP) creation and thermalization dynamics of this system by solving the time-dependent Keldysh-Bogoliubov equations. We find avalanchelike QP creation due to a parametric resonance between BEC and QP oscillations, followed by slow, exponential relaxation to a thermal state at an elevated temperature, controlled by the initial excitation energy of the oscillating BEC above its ground state. The crossover between the two regimes occurs because of an effective decoupling of the QP and BEC oscillations. This dynamics is analogous to elementary particle creation in models of the early universe. The thermalization in our setup occurs because the BEC acts as a grand canonical reservoir for the quasiparticle system.
Posazhennikova, Anna; Trujillo-Martinez, Mauricio; Kroha, Johann
2016-06-03
A Bose gas in a double-well potential, exhibiting a true Bose-Einstein condensate (BEC) amplitude and initially performing Josephson oscillations, is a prototype of an isolated, nonequilibrium many-body system. We investigate the quasiparticle (QP) creation and thermalization dynamics of this system by solving the time-dependent Keldysh-Bogoliubov equations. We find avalanchelike QP creation due to a parametric resonance between BEC and QP oscillations, followed by slow, exponential relaxation to a thermal state at an elevated temperature, controlled by the initial excitation energy of the oscillating BEC above its ground state. The crossover between the two regimes occurs because of an effective decoupling of the QP and BEC oscillations. This dynamics is analogous to elementary particle creation in models of the early universe. The thermalization in our setup occurs because the BEC acts as a grand canonical reservoir for the quasiparticle system.
Statistical quasi-particle theory for open quantum systems
NASA Astrophysics Data System (ADS)
Zhang, Hou-Dao; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing
2018-04-01
This paper presents a comprehensive account on the recently developed dissipaton-equation-of-motion (DEOM) theory. This is a statistical quasi-particle theory for quantum dissipative dynamics. It accurately describes the influence of bulk environments, with a few number of quasi-particles, the dissipatons. The novel dissipaton algebra is then followed, which readily bridges the Schrödinger equation to the DEOM theory. As a fundamental theory of quantum mechanics in open systems, DEOM characterizes both the stationary and dynamic properties of system-and-bath interferences. It treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that could be experimentally measurable. Examples are the linear or nonlinear Fano interferences and the Herzberg-Teller vibronic couplings in optical spectroscopies. This review covers the DEOM construction, the underlying dissipaton algebra and theorems, the physical meanings of dynamical variables, the possible identifications of dissipatons, and some recent advancements in efficient DEOM evaluations on various problems. The relations of the present theory to other nonperturbative methods are also critically presented.
NASA Astrophysics Data System (ADS)
Zhu, Jian-Xin; Tai, Yuan-Yen
Majorana fermions are believed to perform better than regular fermions in keeping quantum coherence, which is an important factor for quantum computation. Recently there has been intensive interest in their realization in solid-state systems. Zero-energy quasiparticle modes in a superconductor serve as a promising candidate. We present a theoretical study on the influence of a two-dimensional (2D) skyrmion texture of localized spins on the pairing instability and quasiparticle properties in an unconventional superconductor. By solving the Bogoliubov-de Gennes equations for an effective BCS model Hamiltonian with nearest-neighbor pairing interaction on a 2D square lattice, we analyze the spatial dependence of superconducting order parameter for varying strength of spin-exchange interaction. The quasiparticle properties are studied by calculating local density of states and its spatial dependence. This work was supported by U.S. DOE NNSA through the LANL LDRD Program, and by Center for Integrated Nanotechnologies, a U.S. DOE BES user facility.
Normal-metal quasiparticle traps for superconducting qubits
NASA Astrophysics Data System (ADS)
Riwar, R.-P.; Hosseinkhani, A.; Burkhart, L. D.; Gao, Y. Y.; Schoelkopf, R. J.; Glazman, L. I.; Catelani, G.
2016-09-01
The presence of quasiparticles in superconducting qubits emerges as an intrinsic constraint on their coherence. While it is difficult to prevent the generation of quasiparticles, keeping them away from active elements of the qubit provides a viable way of improving the device performance. Here we develop theoretically and validate experimentally a model for the effect of a single small trap on the dynamics of the excess quasiparticles injected in a transmon-type qubit. The model allows one to evaluate the time it takes to evacuate the injected quasiparticles from the transmon as a function of trap parameters. With the increase of the trap size, this time decreases monotonically, saturating at the level determined by the quasiparticles diffusion constant and the qubit geometry. We determine the characteristic trap size needed for the relaxation time to approach that saturation value.
Measurements of quasiparticle tunneling dynamics in a band-gap-engineered transmon qubit.
Sun, L; DiCarlo, L; Reed, M D; Catelani, G; Bishop, Lev S; Schuster, D I; Johnson, B R; Yang, Ge A; Frunzio, L; Glazman, L; Devoret, M H; Schoelkopf, R J
2012-06-08
We have engineered the band gap profile of transmon qubits by combining oxygen-doped Al for tunnel junction electrodes and clean Al as quasiparticle traps to investigate energy relaxation due to quasiparticle tunneling. The relaxation time T1 of the qubits is shown to be insensitive to this band gap engineering. Operating at relatively low-E(J)/E(C) makes the transmon transition frequency distinctly dependent on the charge parity, allowing us to detect the quasiparticles tunneling across the qubit junction. Quasiparticle kinetics have been studied by monitoring the frequency switching due to even-odd parity change in real time. It shows the switching time is faster than 10 μs, indicating quasiparticle-induced relaxation has to be reduced to achieve T1 much longer than 100 μs.
Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S
2015-06-18
We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.
Lightwave-driven quasiparticle collisions on a subcycle timescale.
Langer, F; Hohenleutner, M; Schmid, C P; Poellmann, C; Nagler, P; Korn, T; Schüller, C; Sherwin, M S; Huttner, U; Steiner, J T; Koch, S W; Kira, M; Huber, R
2016-05-12
Ever since Ernest Rutherford scattered α-particles from gold foils, collision experiments have revealed insights into atoms, nuclei and elementary particles. In solids, many-body correlations lead to characteristic resonances--called quasiparticles--such as excitons, dropletons, polarons and Cooper pairs. The structure and dynamics of quasiparticles are important because they define macroscopic phenomena such as Mott insulating states, spontaneous spin- and charge-order, and high-temperature superconductivity. However, the extremely short lifetimes of these entities make practical implementations of a suitable collider challenging. Here we exploit lightwave-driven charge transport, the foundation of attosecond science, to explore ultrafast quasiparticle collisions directly in the time domain: a femtosecond optical pulse creates excitonic electron-hole pairs in the layered dichalcogenide tungsten diselenide while a strong terahertz field accelerates and collides the electrons with the holes. The underlying dynamics of the wave packets, including collision, pair annihilation, quantum interference and dephasing, are detected as light emission in high-order spectral sidebands of the optical excitation. A full quantum theory explains our observations microscopically. This approach enables collision experiments with various complex quasiparticles and suggests a promising new way of generating sub-femtosecond pulses.
Lightwave-driven quasiparticle collisions on a sub-cycle timescale
Langer, F.; Hohenleutner, M.; Schmid, C.; Poellmann, C.; Nagler, P.; Korn, T.; Schüller, C.; Sherwin, M. S.; Huttner, U.; Steiner, J. T.; Koch, S. W.; Kira, M.; Huber, R.
2016-01-01
Ever since Ernest Rutherford first scattered α-particles from gold foils1, collision experiments have revealed unique insights into atoms, nuclei, and elementary particles2. In solids, many-body correlations also lead to characteristic resonances3, called quasiparticles, such as excitons, dropletons4, polarons, or Cooper pairs. Their structure and dynamics define spectacular macroscopic phenomena, ranging from Mott insulating states via spontaneous spin and charge order to high-temperature superconductivity5. Fundamental research would immensely benefit from quasiparticle colliders, but the notoriously short lifetimes of quasiparticles6 have challenged practical solutions. Here we exploit lightwave-driven charge transport7–24, the backbone of attosecond science9–13, to explore ultrafast quasiparticle collisions directly in the time domain: A femtosecond optical pulse creates excitonic electron–hole pairs in the layered dichalcogenide tungsten diselenide while a strong terahertz field accelerates and collides the electrons with the holes. The underlying wave packet dynamics, including collision, pair annihilation, quantum interference and dephasing, are detected as light emission in high-order spectral sidebands17–19 of the optical excitation. A full quantum theory explains our observations microscopically. This approach opens the door to collision experiments with a broad variety of complex quasiparticles and suggests a promising new way of sub-femtosecond pulse generation. PMID:27172045
Non-Poissonian quantum jumps of a fluxonium qubit due to quasiparticle excitations.
Vool, U; Pop, I M; Sliwa, K; Abdo, B; Wang, C; Brecht, T; Gao, Y Y; Shankar, S; Hatridge, M; Catelani, G; Mirrahimi, M; Frunzio, L; Schoelkopf, R J; Glazman, L I; Devoret, M H
2014-12-12
As the energy relaxation time of superconducting qubits steadily improves, nonequilibrium quasiparticle excitations above the superconducting gap emerge as an increasingly relevant limit for qubit coherence. We measure fluctuations in the number of quasiparticle excitations by continuously monitoring the spontaneous quantum jumps between the states of a fluxonium qubit, in conditions where relaxation is dominated by quasiparticle loss. Resolution on the scale of a single quasiparticle is obtained by performing quantum nondemolition projective measurements within a time interval much shorter than T₁, using a quantum-limited amplifier (Josephson parametric converter). The quantum jump statistics switches between the expected Poisson distribution and a non-Poissonian one, indicating large relative fluctuations in the quasiparticle population, on time scales varying from seconds to hours. This dynamics can be modified controllably by injecting quasiparticles or by seeding quasiparticle-trapping vortices by cooling down in a magnetic field.
Non-Poissonian Quantum Jumps of a Fluxonium Qubit due to Quasiparticle Excitations
NASA Astrophysics Data System (ADS)
Vool, U.; Pop, I. M.; Sliwa, K.; Abdo, B.; Wang, C.; Brecht, T.; Gao, Y. Y.; Shankar, S.; Hatridge, M.; Catelani, G.; Mirrahimi, M.; Frunzio, L.; Schoelkopf, R. J.; Glazman, L. I.; Devoret, M. H.
2014-12-01
As the energy relaxation time of superconducting qubits steadily improves, nonequilibrium quasiparticle excitations above the superconducting gap emerge as an increasingly relevant limit for qubit coherence. We measure fluctuations in the number of quasiparticle excitations by continuously monitoring the spontaneous quantum jumps between the states of a fluxonium qubit, in conditions where relaxation is dominated by quasiparticle loss. Resolution on the scale of a single quasiparticle is obtained by performing quantum nondemolition projective measurements within a time interval much shorter than T1 , using a quantum-limited amplifier (Josephson parametric converter). The quantum jump statistics switches between the expected Poisson distribution and a non-Poissonian one, indicating large relative fluctuations in the quasiparticle population, on time scales varying from seconds to hours. This dynamics can be modified controllably by injecting quasiparticles or by seeding quasiparticle-trapping vortices by cooling down in a magnetic field.
Quasiparticle engineering and entanglement propagation in a quantum many-body system.
Jurcevic, P; Lanyon, B P; Hauke, P; Hempel, C; Zoller, P; Blatt, R; Roos, C F
2014-07-10
The key to explaining and controlling a range of quantum phenomena is to study how information propagates around many-body systems. Quantum dynamics can be described by particle-like carriers of information that emerge in the collective behaviour of the underlying system, the so-called quasiparticles. These elementary excitations are predicted to distribute quantum information in a fashion determined by the system's interactions. Here we report quasiparticle dynamics observed in a quantum many-body system of trapped atomic ions. First, we observe the entanglement distributed by quasiparticles as they trace out light-cone-like wavefronts. Second, using the ability to tune the interaction range in our system, we observe information propagation in an experimental regime where the effective-light-cone picture does not apply. Our results will enable experimental studies of a range of quantum phenomena, including transport, thermalization, localization and entanglement growth, and represent a first step towards a new quantum-optic regime of engineered quasiparticles with tunable nonlinear interactions.
A quasiparticle-based multi-reference coupled-cluster method.
Rolik, Zoltán; Kállay, Mihály
2014-10-07
The purpose of this paper is to introduce a quasiparticle-based multi-reference coupled-cluster (MRCC) approach. The quasiparticles are introduced via a unitary transformation which allows us to represent a complete active space reference function and other elements of an orthonormal multi-reference (MR) basis in a determinant-like form. The quasiparticle creation and annihilation operators satisfy the fermion anti-commutation relations. On the basis of these quasiparticles, a generalization of the normal-ordered operator products for the MR case can be introduced as an alternative to the approach of Mukherjee and Kutzelnigg [Recent Prog. Many-Body Theor. 4, 127 (1995); Mukherjee and Kutzelnigg, J. Chem. Phys. 107, 432 (1997)]. Based on the new normal ordering any quasiparticle-based theory can be formulated using the well-known diagram techniques. Beyond the general quasiparticle framework we also present a possible realization of the unitary transformation. The suggested transformation has an exponential form where the parameters, holding exclusively active indices, are defined in a form similar to the wave operator of the unitary coupled-cluster approach. The definition of our quasiparticle-based MRCC approach strictly follows the form of the single-reference coupled-cluster method and retains several of its beneficial properties. Test results for small systems are presented using a pilot implementation of the new approach and compared to those obtained by other MR methods.
Quasiparticle semiconductor band structures including spin-orbit interactions.
Malone, Brad D; Cohen, Marvin L
2013-03-13
We present first-principles calculations of the quasiparticle band structure of the group IV materials Si and Ge and the group III-V compound semiconductors AlP, AlAs, AlSb, InP, InAs, InSb, GaP, GaAs and GaSb. Calculations are performed using the plane wave pseudopotential method and the 'one-shot' GW method, i.e. G(0)W(0). Quasiparticle band structures, augmented with the effects of spin-orbit, are obtained via a Wannier interpolation of the obtained quasiparticle energies and calculated spin-orbit matrix. Our calculations explicitly treat the shallow semicore states of In and Ga, which are known to be important in the description of the electronic properties, as valence states in the quasiparticle calculation. Our calculated quasiparticle energies, combining both the ab initio evaluation of the electron self-energy and the vector part of the pseudopotential representing the spin-orbit effects, are in generally very good agreement with experimental values. These calculations illustrate the predictive power of the methodology as applied to group IV and III-V semiconductors.
Spectral Function and Quasiparticle Damping of Interacting Bosons in Two Dimensions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sinner, Andreas; Kopietz, Peter; Hasselmann, Nils
2009-03-27
We employ the functional renormalization group to study dynamical properties of the two-dimensional Bose gas. Our approach is free of infrared divergences, which plague the usual diagrammatic approaches, and is consistent with the exact Nepomnyashchy identity, which states that the anomalous self-energy vanishes at zero frequency and momentum. We recover the correct infrared behavior of the propagators and present explicit results for the spectral line shape, from which we extract the quasiparticle dispersion and dampi0008.
Quasiparticle self-consistent GW method for the spectral properties of complex materials.
Bruneval, Fabien; Gatti, Matteo
2014-01-01
The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.
Differences between the insulating limit quasiparticles of one-band and three-band cuprate models
NASA Astrophysics Data System (ADS)
Ebrahimnejad, H.; Sawatzky, G. A.; Berciu, M.
2016-03-01
We study the charge dynamics of the quasiparticle that forms when a single hole is doped in a two-dimensional antiferromagnet as described by the one-band t-{{t}\\prime} -{{t}\\prime \\prime} -J model, using a variational approximation that includes spin fluctuations in the vicinity of the hole. We explain why the spin fluctuations and the longer range hopping have complementary contributions to the quasiparticle dynamics, and thus why both are essential to obtain a dispersion in agreement with that measured experimentally. This is very different from the three-band Emery model in the strongly-correlated limit, where the same variational approximation shows that spin fluctuations have a minor effect on the quasiparticle dynamics. This difference proves that these one-band and three-band models describe qualitatively different quasiparticles in the insulating limit, and therefore that they cannot both be suitable to describe the physics of very underdoped cuprates.
Lightwave-driven quasiparticle collisions on a subcycle timescale
NASA Astrophysics Data System (ADS)
Langer, F.; Hohenleutner, M.; Schmid, C. P.; Poellmann, C.; Nagler, P.; Korn, T.; Schüller, C.; Sherwin, M. S.; Huttner, U.; Steiner, J. T.; Koch, S. W.; Kira, M.; Huber, R.
2016-05-01
Ever since Ernest Rutherford scattered α-particles from gold foils, collision experiments have revealed insights into atoms, nuclei and elementary particles. In solids, many-body correlations lead to characteristic resonances—called quasiparticles—such as excitons, dropletons, polarons and Cooper pairs. The structure and dynamics of quasiparticles are important because they define macroscopic phenomena such as Mott insulating states, spontaneous spin- and charge-order, and high-temperature superconductivity. However, the extremely short lifetimes of these entities make practical implementations of a suitable collider challenging. Here we exploit lightwave-driven charge transport, the foundation of attosecond science, to explore ultrafast quasiparticle collisions directly in the time domain: a femtosecond optical pulse creates excitonic electron-hole pairs in the layered dichalcogenide tungsten diselenide while a strong terahertz field accelerates and collides the electrons with the holes. The underlying dynamics of the wave packets, including collision, pair annihilation, quantum interference and dephasing, are detected as light emission in high-order spectral sidebands of the optical excitation. A full quantum theory explains our observations microscopically. This approach enables collision experiments with various complex quasiparticles and suggests a promising new way of generating sub-femtosecond pulses.
Suppressing relaxation in superconducting qubits by quasiparticle pumping.
Gustavsson, Simon; Yan, Fei; Catelani, Gianluigi; Bylander, Jonas; Kamal, Archana; Birenbaum, Jeffrey; Hover, David; Rosenberg, Danna; Samach, Gabriel; Sears, Adam P; Weber, Steven J; Yoder, Jonilyn L; Clarke, John; Kerman, Andrew J; Yoshihara, Fumiki; Nakamura, Yasunobu; Orlando, Terry P; Oliver, William D
2016-12-23
Dynamical error suppression techniques are commonly used to improve coherence in quantum systems. They reduce dephasing errors by applying control pulses designed to reverse erroneous coherent evolution driven by environmental noise. However, such methods cannot correct for irreversible processes such as energy relaxation. We investigate a complementary, stochastic approach to reducing errors: Instead of deterministically reversing the unwanted qubit evolution, we use control pulses to shape the noise environment dynamically. In the context of superconducting qubits, we implement a pumping sequence to reduce the number of unpaired electrons (quasiparticles) in close proximity to the device. A 70% reduction in the quasiparticle density results in a threefold enhancement in qubit relaxation times and a comparable reduction in coherence variability. Copyright © 2016, American Association for the Advancement of Science.
Quasiparticle renormalization in ABC graphene trilayers
NASA Astrophysics Data System (ADS)
Dou, Xu; Jaefari, Akbar; Barlas, Yafis; Uchoa, Bruno
2015-03-01
We investigate the effect of electron-electron interactions in ABC stacked graphene trilayers. In the gapless regime, we show that the self-energy corrections lead to the renormalization of the dynamical exponent z = 3 +α1 / N , with α1 ~ 0 . 52 and N is the number of fermionic species. Although the quasiparticle residue is suppressed near the neutrality point, the lifetime has a sublinear scaling with the energy and the quasiparticles are well defined even at zero energy. We calculate the renormalization of a variety of physical observables, which can be directly measured in experiments. X.D., A.J., and B.U. acknowledge University of Oklahoma for support. B.U. acknowledges NSF Career Grant No. DMR-1352604 for partial support.
Ultrafast dynamics and decoherence of quasiparticles in surface bands: Development of the formalism
NASA Astrophysics Data System (ADS)
Gumhalter, Branko
2005-10-01
We describe a formalism suitable for studying the ultrafast dynamics and nonadiabatic effects associated with propagation of a single electron injected into an empty band. Within the band the electron is coupled to vibrational or electronic excitations that can be modeled by bosons. The formalism is based on the application of cumulant expansion to calculations of diagonal single particle propagators that are used in the interpretations of time resolved measurements of the surface electronic structure. Second and fourth order cumulants which arise from linear coupling to bosonic excitations and give leading contributions to the renormalization of propagators are explicitly calculated in the real time domain and their properties analyzed. This approach enables the assessment of transient effects and energy transfer associated with nonadiabatic response of the system to promotion of electrons into unoccupied bands, as well as of higher order corrections to the lifetimes and energy shifts of the initial electronic states that in the adiabatic regime are obtained from Fermi’s golden rule approach or its improvements such as the GW approximation. In the form presented the formalism is particularly suitable for studying the non-Markovian evolution and ultrafast decoherence of electronic states encountered in electron spectroscopies of quasi-two-dimensional bands on metal surfaces whose descriptions are inaccessible to the approaches based on the adiabatic hypothesis. The fast convergence of the results obtained by this procedure is demonstrated for a simple model system relevant to surface problems. On the basis of this and some general properties of cumulants it is argued that in the majority of surface problems involving electron-boson interactions the ultrafast dynamics of quasiparticles is accurately described by the second order cumulant, which can be calculated with the effort not exceeding those encountered in the standard GW approximation calculations.
Tunable quasiparticle trapping in Meissner and vortex states of mesoscopic superconductors.
Taupin, M; Khaymovich, I M; Meschke, M; Mel'nikov, A S; Pekola, J P
2016-03-16
Nowadays, superconductors serve in numerous applications, from high-field magnets to ultrasensitive detectors of radiation. Mesoscopic superconducting devices, referring to those with nanoscale dimensions, are in a special position as they are easily driven out of equilibrium under typical operating conditions. The out-of-equilibrium superconductors are characterized by non-equilibrium quasiparticles. These extra excitations can compromise the performance of mesoscopic devices by introducing, for example, leakage currents or decreased coherence time in quantum devices. By applying an external magnetic field, one can conveniently suppress or redistribute the population of excess quasiparticles. In this article, we present an experimental demonstration and a theoretical analysis of such effective control of quasiparticles, resulting in electron cooling both in the Meissner and vortex states of a mesoscopic superconductor. We introduce a theoretical model of quasiparticle dynamics, which is in quantitative agreement with the experimental data.
Quasiparticle relaxation in superconducting nanostructures
NASA Astrophysics Data System (ADS)
Savich, Yahor; Glazman, Leonid; Kamenev, Alex
2017-09-01
We examine energy relaxation of nonequilibrium quasiparticles in "dirty" superconductors with the electron mean free path much shorter than the superconducting coherence length. Relaxation of low-energy nonequilibrium quasiparticles is dominated by phonon emission. We derive the corresponding collision integral and find the quasiparticle relaxation rate. The latter is sensitive to the breaking of time reversal symmetry (TRS) by a magnetic field (or magnetic impurities). As a concrete application of the developed theory, we address quasiparticle trapping by a vortex and a current-biased constriction. We show that trapping of hot quasiparticles may predominantly occur at distances from the vortex core, or the constriction, significantly exceeding the superconducting coherence length.
Tunable quasiparticle trapping in Meissner and vortex states of mesoscopic superconductors
Taupin, M.; Khaymovich, I. M.; Meschke, M.; Mel'nikov, A. S.; Pekola, J. P.
2016-01-01
Nowadays, superconductors serve in numerous applications, from high-field magnets to ultrasensitive detectors of radiation. Mesoscopic superconducting devices, referring to those with nanoscale dimensions, are in a special position as they are easily driven out of equilibrium under typical operating conditions. The out-of-equilibrium superconductors are characterized by non-equilibrium quasiparticles. These extra excitations can compromise the performance of mesoscopic devices by introducing, for example, leakage currents or decreased coherence time in quantum devices. By applying an external magnetic field, one can conveniently suppress or redistribute the population of excess quasiparticles. In this article, we present an experimental demonstration and a theoretical analysis of such effective control of quasiparticles, resulting in electron cooling both in the Meissner and vortex states of a mesoscopic superconductor. We introduce a theoretical model of quasiparticle dynamics, which is in quantitative agreement with the experimental data. PMID:26980225
Ultrafast electron-optical phonon scattering and quasiparticle lifetime in CVD-grown graphene.
Shang, Jingzhi; Yu, Ting; Lin, Jianyi; Gurzadyan, Gagik G
2011-04-26
Ultrafast quasiparticle dynamics in graphene grown by chemical vapor deposition (CVD) has been studied by UV pump/white-light probe spectroscopy. Transient differential transmission spectra of monolayer graphene are observed in the visible probe range (400-650 nm). Kinetics of the quasiparticle (i.e., low-energy single-particle excitation with renormalized energy due to electron-electron Coulomb, electron-optical phonon (e-op), and optical phonon-acoustic phonon (op-ap) interactions) was monitored with 50 fs resolution. Extending the probe range to near-infrared, we find the evolution of quasiparticle relaxation channels from monoexponential e-op scattering to double exponential decay due to e-op and op-ap scattering. Moreover, quasiparticle lifetimes of mono- and randomly stacked graphene films are obtained for the probe photon energies continuously from 1.9 to 2.3 eV. Dependence of quasiparticle decay rate on the probe energy is linear for 10-layer stacked graphene films. This is due to the dominant e-op intervalley scattering and the linear density of states in the probed electronic band. A dimensionless coupling constant W is derived, which characterizes the scattering strength of quasiparticles by lattice points in graphene.
Pion quasiparticle in the low-temperature phase of QCD
NASA Astrophysics Data System (ADS)
Brandt, Bastian B.; Francis, Anthony; Meyer, Harvey B.; Robaina, Daniel
2015-11-01
We investigate the properties of the pion quasiparticle in the low-temperature phase of two-flavor QCD on the lattice with support from chiral effective theory. We find that the pion quasiparticle mass is significantly reduced compared to its value in the vacuum, in contrast with the static screening mass, which increases with temperature. By a simple argument, near the chiral limit the two masses are expected to determine the quasiparticle dispersion relation. Analyzing two-point functions of the axial charge density at nonvanishing spatial momentum, we find that the predicted dispersion relation and the residue of the pion pole are consistent with the lattice data at low momentum. This test, based on fits to the correlation functions, is confirmed by a second analysis using the Backus-Gilbert method.
A Quasiparticle Detector for Imaging Quantum Turbulence in Superfluid He-B
NASA Astrophysics Data System (ADS)
Ahlstrom, S. L.; Bradley, D. I.; Fisher, S. N.; Guénault, A. M.; Guise, E. A.; Haley, R. P.; Holt, S.; Kolosov, O.; McClintock, P. V. E.; Pickett, G. R.; Poole, M.; Schanen, R.; Tsepelin, V.; Woods, A. J.
2014-06-01
We describe the development of a two-dimensional quasiparticle detector for use in visualising quantum turbulence in superfluid He-B at ultra-low temperatures. The detector consists of a matrix of pixels, each a 1 mm diameter hole in a copper block containing a miniature quartz tuning fork. The damping on each fork provides a measure of the local quasiparticle flux. The detector is illuminated by a beam of ballistic quasiparticles generated from a nearby black-body radiator. A comparison of the damping on the different forks provides a measure of the cross-sectional profile of the beam. Further, we generate a tangle of vortices (quantum turbulence) in the path of the beam using a vibrating wire resonator. The vortices cast a shadow onto the face of the detector due to the Andreev reflection of quasiparticles in the beam. This allows us to image the vortices and to investigate their dynamics. Here we give details of the design and construction of the detector and show some preliminary results for one row of pixels which demonstrates its successful application to measuring quasiparticle beams and quantum turbulence.
Quasiparticle dynamics and spin-orbital texture of the SrTiO3 two-dimensional electron gas.
King, P D C; McKeown Walker, S; Tamai, A; de la Torre, A; Eknapakul, T; Buaphet, P; Mo, S-K; Meevasana, W; Bahramy, M S; Baumberger, F
2014-02-27
Two-dimensional electron gases (2DEGs) in SrTiO3 have become model systems for engineering emergent behaviour in complex transition metal oxides. Understanding the collective interactions that enable this, however, has thus far proved elusive. Here we demonstrate that angle-resolved photoemission can directly image the quasiparticle dynamics of the d-electron subband ladder of this complex-oxide 2DEG. Combined with realistic tight-binding supercell calculations, we uncover how quantum confinement and inversion symmetry breaking collectively tune the delicate interplay of charge, spin, orbital and lattice degrees of freedom in this system. We reveal how they lead to pronounced orbital ordering, mediate an orbitally enhanced Rashba splitting with complex subband-dependent spin-orbital textures and markedly change the character of electron-phonon coupling, co-operatively shaping the low-energy electronic structure of the 2DEG. Our results allow for a unified understanding of spectroscopic and transport measurements across different classes of SrTiO3-based 2DEGs, and yield new microscopic insights on their functional properties.
Phonon-mediated quasiparticle poisoning of superconducting microwave resonators
NASA Astrophysics Data System (ADS)
Patel, U.; Pechenezhskiy, Ivan V.; Plourde, B. L. T.; Vavilov, M. G.; McDermott, R.
2017-12-01
Nonequilibrium quasiparticles represent a significant source of decoherence in superconducting quantum circuits. Here we investigate the mechanism of quasiparticle poisoning in devices subjected to local quasiparticle injection. We find that quasiparticle poisoning is dominated by the propagation of pair-breaking phonons across the chip. We characterize the energy dependence of the time scale for quasiparticle poisoning. Finally, we observe that incorporation of extensive normal metal quasiparticle traps leads to a more than order-of-magnitude reduction in quasiparticle loss for a given injected quasiparticle power.
Quasi-particle properties from tunneling in the v = 5/2 fractional quantum Hall state.
Radu, Iuliana P; Miller, J B; Marcus, C M; Kastner, M A; Pfeiffer, L N; West, K W
2008-05-16
Quasi-particles with fractional charge and statistics, as well as modified Coulomb interactions, exist in a two-dimensional electron system in the fractional quantum Hall (FQH) regime. Theoretical models of the FQH state at filling fraction v = 5/2 make the further prediction that the wave function can encode the interchange of two quasi-particles, making this state relevant for topological quantum computing. We show that bias-dependent tunneling across a narrow constriction at v = 5/2 exhibits temperature scaling and, from fits to the theoretical scaling form, extract values for the effective charge and the interaction parameter of the quasi-particles. Ranges of values obtained are consistent with those predicted by certain models of the 5/2 state.
Justifying quasiparticle self-consistent schemes via gradient optimization in Baym-Kadanoff theory.
Ismail-Beigi, Sohrab
2017-09-27
The question of which non-interacting Green's function 'best' describes an interacting many-body electronic system is both of fundamental interest as well as of practical importance in describing electronic properties of materials in a realistic manner. Here, we study this question within the framework of Baym-Kadanoff theory, an approach where one locates the stationary point of a total energy functional of the one-particle Green's function in order to find the total ground-state energy as well as all one-particle properties such as the density matrix, chemical potential, or the quasiparticle energy spectrum and quasiparticle wave functions. For the case of the Klein functional, our basic finding is that minimizing the length of the gradient of the total energy functional over non-interacting Green's functions yields a set of self-consistent equations for quasiparticles that is identical to those of the quasiparticle self-consistent GW (QSGW) (van Schilfgaarde et al 2006 Phys. Rev. Lett. 96 226402-4) approach, thereby providing an a priori justification for such an approach to electronic structure calculations. In fact, this result is general, applies to any self-energy operator, and is not restricted to any particular approximation, e.g., the GW approximation for the self-energy. The approach also shows that, when working in the basis of quasiparticle states, solving the diagonal part of the self-consistent Dyson equation is of primary importance while the off-diagonals are of secondary importance, a common observation in the electronic structure literature of self-energy calculations. Finally, numerical tests and analytical arguments show that when the Dyson equation produces multiple quasiparticle solutions corresponding to a single non-interacting state, minimizing the length of the gradient translates into choosing the solution with largest quasiparticle weight.
Quasiparticle Properties of a Mobile Impurity in a Bose-Einstein Condensate.
Christensen, Rasmus Søgaard; Levinsen, Jesper; Bruun, Georg M
2015-10-16
We develop a systematic perturbation theory for the quasiparticle properties of a single impurity immersed in a Bose-Einstein condensate. Analytical results are derived for the impurity energy, effective mass, and residue to third order in the impurity-boson scattering length. The energy is shown to depend logarithmically on the scattering length to third order, whereas the residue and the effective mass are given by analytical power series. When the boson-boson scattering length equals the boson-impurity scattering length, the energy has the same structure as that of a weakly interacting Bose gas, including terms of the Lee-Huang-Yang and fourth order logarithmic form. Our results, which cannot be obtained within the canonical Fröhlich model of an impurity interacting with phonons, provide valuable benchmarks for many-body theories and for experiments.
Spin-orbit coupling in quasiparticle studies of topological insulators
NASA Astrophysics Data System (ADS)
Aguilera, Irene; Friedrich, Christoph; Blügel, Stefan
2013-10-01
We present one-shot GW calculations of the bulk electronic structure of the topological insulators Bi2Se3 and Bi2Te3 within the all-electron full-potential linearized augmented-plane-wave formalism. We compare three different ways of treating the spin-orbit interaction in calculating the quasiparticle energies: (i) The spin-orbit coupling (SOC) is already incorporated in the noninteracting system that serves as starting point for the quasiparticle correction. (ii) The SOC is added in a second-variation approach only after the quasiparticle calculation has been performed in the absence of SOC. We found that the approximate treatment (ii) yields most quasiparticle bands with reasonable accuracy but does fail in the important band-gap region, where the SOC gives rise to a band inversion relevant for the topological properties of these materials. For example, Bi2Se3 is just on the brink of becoming a trivial semiconductor within this approximate approach, while it maintains its topological properties in the case of the consistent treatment (i). Finally, we consider another approach (iii), in which the SOC is included in the Green function G as in (i), but neglected in the calculation of the screened Coulomb potential W. This approach gives results in very good agreement with the full treatment (i), but with a smaller numerical effort. We conclude that, in the high-symmetry directions studied, bulk Bi2Se3 is a direct-gap and Bi2Te3 an indirect-gap semiconductor with band gaps of 0.20 and 0.19 eV, respectively.
Electronic properties of two inequivalent surfaces in MoTe2 studied by quasi-particle interference
NASA Astrophysics Data System (ADS)
Iaia, Davide; Shichao, Yan; Madhavan, Vidya
MoTe2 has received renewed interest due to its topological properties. At a temperature below 250 K, MoTe2 is a type II Weyl semimetal hosting three-dimensional (3D) linearly dispersing states with well defined chirality. Nodes in this 3D dispersion are called Weyl points. Weyl points of opposite chirality are expected to be connected by topologically protected Fermi arcs. In this talk we discuss low temperature scanning tunneling microscopy studies of the electronic structure of MoTe2. The electronic properties are studied using quasi-particle interference technique which allows us to resolve Fermi arcs features and to clearly distinguish between two inequivalent MoTe2 surfaces. Our results provide important contributions to further our understanding of the electronic properties of this new and exotic class of materials. National Science Foundation (NSF).
Quasiparticle breakdown in a quantum spin liquid.
Stone, Matthew B; Zaliznyak, Igor A; Hong, Tao; Broholm, Collin L; Reich, Daniel H
2006-03-09
Much of modern condensed matter physics is understood in terms of elementary excitations, or quasiparticles--fundamental quanta of energy and momentum. Various strongly interacting atomic systems are successfully treated as a collection of quasiparticles with weak or no interactions. However, there are interesting limitations to this description: in some systems the very existence of quasiparticles cannot be taken for granted. Like unstable elementary particles, quasiparticles cannot survive beyond a threshold where certain decay channels become allowed by conservation laws; their spectrum terminates at this threshold. Such quasiparticle breakdown was first predicted for an exotic state of matter--super-fluid 4He at temperatures close to absolute zero, a quantum Bose liquid where zero-point atomic motion precludes crystallization. Here we show, using neutron scattering, that quasiparticle breakdown can also occur in a quantum magnet and, by implication, in other systems with Bose quasiparticles. We have measured spin excitations in a two-dimensional quantum magnet, piperazinium hexachlorodicuprate (PHCC), in which spin-1/2 copper ions form a non-magnetic quantum spin liquid, and find remarkable similarities with excitations in superfluid 4He. We observe a threshold momentum beyond which the quasiparticle peak merges with the two-quasiparticle continuum. It then acquires a finite energy width and becomes indistinguishable from a leading-edge singularity, so that excited states are no longer quasiparticles but occupy a wide band of energy. Our findings have important ramifications for understanding excitations with gapped spectra in many condensed matter systems, ranging from band insulators to high-transition-temperature superconductors.
Quasiparticle interference in unconventional 2D systems.
Chen, Lan; Cheng, Peng; Wu, Kehui
2017-03-15
At present, research of 2D systems mainly focuses on two kinds of materials: graphene-like materials and transition-metal dichalcogenides (TMDs). Both of them host unconventional 2D electronic properties: pseudospin and the associated chirality of electrons in graphene-like materials, and spin-valley-coupled electronic structures in the TMDs. These exotic electronic properties have attracted tremendous interest for possible applications in nanodevices in the future. Investigation on the quasiparticle interference (QPI) in 2D systems is an effective way to uncover these properties. In this review, we will begin with a brief introduction to 2D systems, including their atomic structures and electronic bands. Then, we will discuss the formation of Friedel oscillation due to QPI in constant energy contours of electron bands, and show the basic concept of Fourier-transform scanning tunneling microscopy/spectroscopy (FT-STM/STS), which can resolve Friedel oscillation patterns in real space and consequently obtain the QPI patterns in reciprocal space. In the next two parts, we will summarize some pivotal results in the investigation of QPI in graphene and silicene, in which systems the low-energy quasiparticles are described by the massless Dirac equation. The FT-STM experiments show there are two different interference channels (intervalley and intravalley scattering) and backscattering suppression, which associate with the Dirac cones and the chirality of quasiparticles. The monolayer and bilayer graphene on different substrates (SiC and metal surfaces), and the monolayer and multilayer silicene on a Ag(1 1 1) surface will be addressed. The fifth part will introduce the FT-STM research on QPI in TMDs (monolayer and bilayer of WSe 2 ), which allow us to infer the spin texture of both conduction and valence bands, and present spin-valley coupling by tracking allowed and forbidden scattering channels.
Quasiparticle Interference Studies of Quantum Materials.
Avraham, Nurit; Reiner, Jonathan; Kumar-Nayak, Abhay; Morali, Noam; Batabyal, Rajib; Yan, Binghai; Beidenkopf, Haim
2018-06-03
Exotic electronic states are realized in novel quantum materials. This field is revolutionized by the topological classification of materials. Such compounds necessarily host unique states on their boundaries. Scanning tunneling microscopy studies of these surface states have provided a wealth of spectroscopic characterization, with the successful cooperation of ab initio calculations. The method of quasiparticle interference imaging proves to be particularly useful for probing the dispersion relation of the surface bands. Herein, how a variety of additional fundamental electronic properties can be probed via this method is reviewed. It is demonstrated how quasiparticle interference measurements entail mesoscopic size quantization and the electronic phase coherence in semiconducting nanowires; helical spin protection and energy-momentum fluctuations in a topological insulator; and the structure of the Bloch wave function and the relative insusceptibility of topological electronic states to surface potential in a topological Weyl semimetal. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Universal spectral signatures in pnictides and cuprates: the role of quasiparticle-pair coupling.
Sacks, William; Mauger, Alain; Noat, Yves
2017-11-08
Understanding the physical properties of a large variety of high-T c superconductors (SC), the cuprate family as well as the more recent iron-based superconductors, is still a major challenge. In particular, these materials exhibit the 'peak-dip-hump' structure in the quasiparticle density of states (DOS). The origin of this structure is explained within our pair-pair interaction (PPI) model: The non-superconducting state consists of incoherent pairs, a 'Cooper-pair glass' which, due to the PPI, undergoes a Bose-like condensation below T c to the coherent SC state. We derive the equations of motion for the quasiparticle operators showing that the DOS 'peak-dip-hump' is caused by the coupling between quasiparticles and excited pair states, or 'super-quasiparticles'. The renormalized SC gap function becomes energy-dependent and non retarded, reproducing accurately the experimental spectra of both pnictides and cuprates, despite the large difference in gap value.
Quasiparticle-continuum level repulsion in a quantum magnet
DOE Office of Scientific and Technical Information (OSTI.GOV)
Plumb, K. W.; Hwang, Kyusung; Qiu, Y.
2015-11-30
When the energy eigenvalues of two coupled quantum states approach each other in a certain parameter space, their energy levels repel each other and level crossing is avoided. Such level repulsion, or avoided level crossing, is commonly used to describe the dispersion relation of quasiparticles in solids. But, little is known about the level repulsion when more than two quasiparticles are present; for example, in a strongly interacting quantum system where a quasiparticle can spontaneously decay into a many-particle continuum. Here we show that even in this case level repulsion exists between a long-lived quasiparticle state and a continuum. Here,more » we observe a renormalization of the quasiparticle dispersion relation due to the presence of the continuum of multi-quasiparticle states, in our fine-resolution neutron spectroscopy study of magnetic quasiparticles in the frustrated quantum magnet BiCu 2PO 6.« less
Quasiparticle dynamics in reshaped helical Dirac cone of topological insulators.
Miao, Lin; Wang, Z F; Ming, Wenmei; Yao, Meng-Yu; Wang, Meixiao; Yang, Fang; Song, Y R; Zhu, Fengfeng; Fedorov, Alexei V; Sun, Z; Gao, C L; Liu, Canhua; Xue, Qi-Kun; Liu, Chao-Xing; Liu, Feng; Qian, Dong; Jia, Jin-Feng
2013-02-19
Topological insulators and graphene present two unique classes of materials, which are characterized by spin-polarized (helical) and nonpolarized Dirac cone band structures, respectively. The importance of many-body interactions that renormalize the linear bands near Dirac point in graphene has been well recognized and attracted much recent attention. However, renormalization of the helical Dirac point has not been observed in topological insulators. Here, we report the experimental observation of the renormalized quasiparticle spectrum with a skewed Dirac cone in a single Bi bilayer grown on Bi(2)Te(3) substrate from angle-resolved photoemission spectroscopy. First-principles band calculations indicate that the quasiparticle spectra are likely associated with the hybridization between the extrinsic substrate-induced Dirac states of Bi bilayer and the intrinsic surface Dirac states of Bi(2)Te(3) film at close energy proximity. Without such hybridization, only single-particle Dirac spectra are observed in a single Bi bilayer grown on Bi(2)Se(3), where the extrinsic Dirac states Bi bilayer and the intrinsic Dirac states of Bi(2)Se(3) are well separated in energy. The possible origins of many-body interactions are discussed. Our findings provide a means to manipulate topological surface states.
Souto, R Seoane; Martín-Rodero, A; Yeyati, A Levy
2016-12-23
We analyze the quantum quench dynamics in the formation of a phase-biased superconducting nanojunction. We find that in the absence of an external relaxation mechanism and for very general conditions the system gets trapped in a metastable state, corresponding to a nonequilibrium population of the Andreev bound states. The use of the time-dependent full counting statistics analysis allows us to extract information on the asymptotic population of even and odd many-body states, demonstrating that a universal behavior, dependent only on the Andreev state energy, is reached in the quantum point contact limit. These results shed light on recent experimental observations on quasiparticle trapping in superconducting atomic contacts.
Willett, R L; Pfeiffer, L N; West, K W
2009-06-02
A standing problem in low-dimensional electron systems is the nature of the 5/2 fractional quantum Hall (FQH) state: Its elementary excitations are a focus for both elucidating the state's properties and as candidates in methods to perform topological quantum computation. Interferometric devices may be used to manipulate and measure quantum Hall edge excitations. Here we use a small-area edge state interferometer designed to observe quasiparticle interference effects. Oscillations consistent in detail with the Aharonov-Bohm effect are observed for integer quantum Hall and FQH states (filling factors nu = 2, 5/3, and 7/3) with periods corresponding to their respective charges and magnetic field positions. With these factors as charge calibrations, periodic transmission through the device consistent with quasiparticle charge e/4 is observed at nu = 5/2 and at lowest temperatures. The principal finding of this work is that, in addition to these e/4 oscillations, periodic structures corresponding to e/2 are also observed at 5/2 nu and at lowest temperatures. Properties of the e/4 and e/2 oscillations are examined with the device sensitivity sufficient to observe temperature evolution of the 5/2 quasiparticle interference. In the model of quasiparticle interference, this presence of an effective e/2 period may empirically reflect an e/2 quasiparticle charge or may reflect multiple passes of the e/4 quasiparticle around the interferometer. These results are discussed within a picture of e/4 quasiparticle excitations potentially possessing non-Abelian statistics. These studies demonstrate the capacity to perform interferometry on 5/2 excitations and reveal properties important for understanding this state and its excitations.
Willett, R. L.; Pfeiffer, L. N.; West, K. W.
2009-01-01
A standing problem in low-dimensional electron systems is the nature of the 5/2 fractional quantum Hall (FQH) state: Its elementary excitations are a focus for both elucidating the state's properties and as candidates in methods to perform topological quantum computation. Interferometric devices may be used to manipulate and measure quantum Hall edge excitations. Here we use a small-area edge state interferometer designed to observe quasiparticle interference effects. Oscillations consistent in detail with the Aharonov–Bohm effect are observed for integer quantum Hall and FQH states (filling factors ν = 2, 5/3, and 7/3) with periods corresponding to their respective charges and magnetic field positions. With these factors as charge calibrations, periodic transmission through the device consistent with quasiparticle charge e/4 is observed at ν = 5/2 and at lowest temperatures. The principal finding of this work is that, in addition to these e/4 oscillations, periodic structures corresponding to e/2 are also observed at 5/2 ν and at lowest temperatures. Properties of the e/4 and e/2 oscillations are examined with the device sensitivity sufficient to observe temperature evolution of the 5/2 quasiparticle interference. In the model of quasiparticle interference, this presence of an effective e/2 period may empirically reflect an e/2 quasiparticle charge or may reflect multiple passes of the e/4 quasiparticle around the interferometer. These results are discussed within a picture of e/4 quasiparticle excitations potentially possessing non-Abelian statistics. These studies demonstrate the capacity to perform interferometry on 5/2 excitations and reveal properties important for understanding this state and its excitations. PMID:19433804
Quasiparticle Tunneling in the Fractional Quantum Hall effect at filling fraction ν=5/2
NASA Astrophysics Data System (ADS)
Radu, Iuliana P.
2009-03-01
In a two-dimensional electron gas (2DEG), in the fractional quantum Hall regime, the quasiparticles are predicted to have fractional charge and statistics, as well as modified Coulomb interactions. The state at filling fraction ν=5/2 is predicted by some theories to have non-abelian statistics, a property that might be exploited for topological quantum computing. However, alternative models with abelian properties have been proposed as well. Weak quasiparticle tunneling between counter-propagating edges is one of the methods that can be used to learn about the properties of the state and potentially distinguish between models describing it. We employ an electrostatically defined quantum point contact (QPC) fabricated on a high mobility GaAs/AlGaAs 2DEG to create a constriction where quasiparticles can tunnel between counter-propagating edges. We study the temperature and dc bias dependence of the tunneling conductance, while preserving the same filling fraction in the constriction and the bulk of the sample. The data show scaling of the bias-dependent tunneling over a range of temperatures, in agreement with the theory of weak quasiparticle tunneling, and we extract values for the effective charge and interaction parameter of the quasiparticles. The ranges of values obtained are consistent with those predicted by certain models describing the 5/2 state, indicating as more probable a non-abelian state. This work was done in collaboration with J. B. Miller, C. M. Marcus, M. A. Kastner, L. N. Pfeiffer and K. W. West. This work was supported in part by the Army Research Office (W911NF-05-1-0062), the Nanoscale Science and Engineering Center program of NSF (PHY-0117795), NSF (DMR-0701386), the Center for Materials Science and Engineering program of NSF (DMR-0213282) at MIT, the Microsoft Corporation Project Q, and the Center for Nanoscale Systems at Harvard University.
Arguello, C J; Rosenthal, E P; Andrade, E F; Jin, W; Yeh, P C; Zaki, N; Jia, S; Cava, R J; Fernandes, R M; Millis, A J; Valla, T; Osgood, R M; Pasupathy, A N
2015-01-23
We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe2 that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe2. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiology and the interactions. In 2H-NbSe2, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.
Quasiparticle dynamics in reshaped helical Dirac cone of topological insulators
Miao, Lin; Wang, Z. F.; Ming, Wenmei; Yao, Meng-Yu; Wang, Meixiao; Yang, Fang; Song, Y. R.; Zhu, Fengfeng; Fedorov, Alexei V.; Sun, Z.; Gao, C. L.; Liu, Canhua; Xue, Qi-Kun; Liu, Chao-Xing; Liu, Feng; Qian, Dong; Jia, Jin-Feng
2013-01-01
Topological insulators and graphene present two unique classes of materials, which are characterized by spin-polarized (helical) and nonpolarized Dirac cone band structures, respectively. The importance of many-body interactions that renormalize the linear bands near Dirac point in graphene has been well recognized and attracted much recent attention. However, renormalization of the helical Dirac point has not been observed in topological insulators. Here, we report the experimental observation of the renormalized quasiparticle spectrum with a skewed Dirac cone in a single Bi bilayer grown on Bi2Te3 substrate from angle-resolved photoemission spectroscopy. First-principles band calculations indicate that the quasiparticle spectra are likely associated with the hybridization between the extrinsic substrate-induced Dirac states of Bi bilayer and the intrinsic surface Dirac states of Bi2Te3 film at close energy proximity. Without such hybridization, only single-particle Dirac spectra are observed in a single Bi bilayer grown on Bi2Se3, where the extrinsic Dirac states Bi bilayer and the intrinsic Dirac states of Bi2Se3 are well separated in energy. The possible origins of many-body interactions are discussed. Our findings provide a means to manipulate topological surface states. PMID:23382185
Shot-noise evidence of fractional quasiparticle creation in a local fractional quantum Hall state.
Hashisaka, Masayuki; Ota, Tomoaki; Muraki, Koji; Fujisawa, Toshimasa
2015-02-06
We experimentally identify fractional quasiparticle creation in a tunneling process through a local fractional quantum Hall (FQH) state. The local FQH state is prepared in a low-density region near a quantum point contact in an integer quantum Hall (IQH) system. Shot-noise measurements reveal a clear transition from elementary-charge tunneling at low bias to fractional-charge tunneling at high bias. The fractional shot noise is proportional to T(1)(1-T(1)) over a wide range of T(1), where T(1) is the transmission probability of the IQH edge channel. This binomial distribution indicates that fractional quasiparticles emerge from the IQH state to be transmitted through the local FQH state. The study of this tunneling process enables us to elucidate the dynamics of Laughlin quasiparticles in FQH systems.
Quasi-particle Interference of Heavy Fermions in Resonant X-ray Scattering
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gyenis, Andras; da Silva Neto, Eduardo H.; Sutarto, Ronny
Resonant x-ray scattering (RXS) has recently become an increasingly important tool for the study of ordering phenomena in correlated electron systems. Yet, the interpretation of RXS experiments remains theoretically challenging because of the complexity of the RXS cross section. Central to this debate is the recent proposal that impurity-induced Friedel oscillations, akin to quasi-particle interference signals observed with a scanning tunneling microscope (STM), can lead to scattering peaks in RXS experiments. The possibility that quasi-particle properties can be probed in RXS measurements opens up a new avenue to study the bulk band structure of materials with the orbital and elementmore » selectivity provided by RXS. We test these ideas by combining RXS and STM measurements of the heavy fermion compound CeMIn5 (M = Co, Rh). Temperature- and doping-dependent RXS measurements at the Ce-M4 edge show a broad scattering enhancement that correlates with the appearance of heavy f-electron bands in these compounds. The scattering enhancement is consistent with the measured quasi-particle interference signal in the STM measurements, indicating that the quasi-particle interference can be probed through the momentum distribution of RXS signals. Overall, our experiments demonstrate new opportunities for studies of correlated electronic systems using the RXS technique.« less
Quasi-particle interference of heavy fermions in resonant x-ray scattering
Gyenis, András; da Silva Neto, Eduardo H.; Sutarto, Ronny; Schierle, Enrico; He, Feizhou; Weschke, Eugen; Kavai, Mariam; Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.; Fisk, Zachary; Damascelli, Andrea; Yazdani, Ali; Aynajian, Pegor
2016-01-01
Resonant x-ray scattering (RXS) has recently become an increasingly important tool for the study of ordering phenomena in correlated electron systems. Yet, the interpretation of RXS experiments remains theoretically challenging because of the complexity of the RXS cross section. Central to this debate is the recent proposal that impurity-induced Friedel oscillations, akin to quasi-particle interference signals observed with a scanning tunneling microscope (STM), can lead to scattering peaks in RXS experiments. The possibility that quasi-particle properties can be probed in RXS measurements opens up a new avenue to study the bulk band structure of materials with the orbital and element selectivity provided by RXS. We test these ideas by combining RXS and STM measurements of the heavy fermion compound CeMIn5 (M = Co, Rh). Temperature- and doping-dependent RXS measurements at the Ce-M4 edge show a broad scattering enhancement that correlates with the appearance of heavy f-electron bands in these compounds. The scattering enhancement is consistent with the measured quasi-particle interference signal in the STM measurements, indicating that the quasi-particle interference can be probed through the momentum distribution of RXS signals. Overall, our experiments demonstrate new opportunities for studies of correlated electronic systems using the RXS technique. PMID:27757422
Quasi-particle Interference of Heavy Fermions in Resonant X-ray Scattering
Gyenis, Andras; da Silva Neto, Eduardo H.; Sutarto, Ronny; ...
2016-10-14
Resonant x-ray scattering (RXS) has recently become an increasingly important tool for the study of ordering phenomena in correlated electron systems. Yet, the interpretation of RXS experiments remains theoretically challenging because of the complexity of the RXS cross section. Central to this debate is the recent proposal that impurity-induced Friedel oscillations, akin to quasi-particle interference signals observed with a scanning tunneling microscope (STM), can lead to scattering peaks in RXS experiments. The possibility that quasi-particle properties can be probed in RXS measurements opens up a new avenue to study the bulk band structure of materials with the orbital and elementmore » selectivity provided by RXS. We test these ideas by combining RXS and STM measurements of the heavy fermion compound CeMIn5 (M = Co, Rh). Temperature- and doping-dependent RXS measurements at the Ce-M4 edge show a broad scattering enhancement that correlates with the appearance of heavy f-electron bands in these compounds. The scattering enhancement is consistent with the measured quasi-particle interference signal in the STM measurements, indicating that the quasi-particle interference can be probed through the momentum distribution of RXS signals. Overall, our experiments demonstrate new opportunities for studies of correlated electronic systems using the RXS technique.« less
Quasi-particle interference of heavy fermions in resonant x-ray scattering.
Gyenis, András; da Silva Neto, Eduardo H; Sutarto, Ronny; Schierle, Enrico; He, Feizhou; Weschke, Eugen; Kavai, Mariam; Baumbach, Ryan E; Thompson, Joe D; Bauer, Eric D; Fisk, Zachary; Damascelli, Andrea; Yazdani, Ali; Aynajian, Pegor
2016-10-01
Resonant x-ray scattering (RXS) has recently become an increasingly important tool for the study of ordering phenomena in correlated electron systems. Yet, the interpretation of RXS experiments remains theoretically challenging because of the complexity of the RXS cross section. Central to this debate is the recent proposal that impurity-induced Friedel oscillations, akin to quasi-particle interference signals observed with a scanning tunneling microscope (STM), can lead to scattering peaks in RXS experiments. The possibility that quasi-particle properties can be probed in RXS measurements opens up a new avenue to study the bulk band structure of materials with the orbital and element selectivity provided by RXS. We test these ideas by combining RXS and STM measurements of the heavy fermion compound Ce M In 5 ( M = Co, Rh). Temperature- and doping-dependent RXS measurements at the Ce- M 4 edge show a broad scattering enhancement that correlates with the appearance of heavy f -electron bands in these compounds. The scattering enhancement is consistent with the measured quasi-particle interference signal in the STM measurements, indicating that the quasi-particle interference can be probed through the momentum distribution of RXS signals. Overall, our experiments demonstrate new opportunities for studies of correlated electronic systems using the RXS technique.
Quasiparticle energies and lifetimes in a metallic chain model of a tunnel junction.
Szepieniec, Mark; Yeriskin, Irene; Greer, J C
2013-04-14
As electronics devices scale to sub-10 nm lengths, the distinction between "device" and "electrodes" becomes blurred. Here, we study a simple model of a molecular tunnel junction, consisting of an atomic gold chain partitioned into left and right electrodes, and a central "molecule." Using a complex absorbing potential, we are able to reproduce the single-particle energy levels of the device region including a description of the effects of the semi-infinite electrodes. We then use the method of configuration interaction to explore the effect of correlations on the system's quasiparticle peaks. We find that when excitations on the leads are excluded, the device's highest occupied molecular orbital and lowest unoccupied molecular orbital quasiparticle states when including correlation are bracketed by their respective values in the Hartree-Fock (Koopmans) and ΔSCF approximations. In contrast, when excitations on the leads are included, the bracketing property no longer holds, and both the positions and the lifetimes of the quasiparticle levels change considerably, indicating that the combined effect of coupling and correlation is to alter the quasiparticle spectrum significantly relative to an isolated molecule.
Arguello, C. J.; Rosenthal, E. P.; Andrade, E. F.; ...
2015-01-21
We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe₂ that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe₂. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiologymore » and the interactions. In 2H-NbSe₂, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.« less
Quasiparticle Aggregation in the Fractional Quantum Hall Effect
DOE R&D Accomplishments Database
Laughlin, R. B.
1984-10-10
Quasiparticles in the Fractional Quantum Hall Effect behave qualitatively like electrons confined to the lowest landau level, and can do everything electrons can do, including condense into second generation Fractional Quantum Hall ground states. I review in this paper the reasoning leading to variational wavefunctions for ground state and quasiparticles in the 1/3 effect. I then show how two-quasiparticle eigenstates are uniquely determined from symmetry, and how this leads in a natural way to variational wavefunctions for composite states which have the correct densities (2/5, 2/7, ...). I show in the process that the boson, anyon and fermion representations for the quasiparticles used by Haldane, Halperin, and me are all equivalent. I demonstrate a simple way to derive Halperin`s multiple-valued quasiparticle wavefunction from the correct single-valued electron wavefunction. (auth)
NASA Astrophysics Data System (ADS)
Butler, Christopher J.; Wu, Yu-Mi; Hsing, Cheng-Rong; Tseng, Yi; Sankar, Raman; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong
2017-11-01
Scanning tunneling microscopy visualizations of quasiparticle interference (QPI) enable powerful insights into the k -space properties of superconducting, topological, Rashba, and other exotic electronic phases, but their reliance on impurities acting as scattering centers is rarely scrutinized. Here, we investigate QPI at the vacuum-cleaved (001) surface of the Dirac semimetal ZrSiS. We find that interference patterns around impurities located on the Zr and S lattice sites appear very different, and can be ascribed to selective scattering of different subsets of the predominantly Zr 4 d -derived band structure, namely, the m =0 and ±1 components. We show that the selectivity of scattering channels requires an explanation beyond the different bands' orbital characteristics and their respective charge density distributions over Zr and S lattice sites. Importantly, this result shows that the usual assumption of generic scattering centers allowing observations of quasiparticle interference to shed light indiscriminately and isotropically upon the q space of scattering events does not hold, and that the scope and interpretation of QPI observations can therefore be be strongly contingent on the material defect chemistry. This finding promises to spur new investigations into the quasiparticle scattering process itself, to inform future interpretations of quasiparticle interference observations, and ultimately to aid the understanding and engineering of quantum electronic transport properties.
Quasiparticle recombination dynamics in the model cuprate superconductor HgBa2CuO4+δ
NASA Astrophysics Data System (ADS)
Hinton, J. P.; Thewalt, E.; Koralek, J. D.; Orenstein, J.; Barisic, N.; Xhao, X.; Chan, M.; Dorow, C.; Veit, M.; Ji, L.; Greven, M.
2014-03-01
The cuprate family of high temperature superconductors is characterized by a variety of electronic phases which emerge when charge carriers are added to the antiferromagnetic parent compound. The structural simplicity of the single layer cuprate system HgBa2CuO4+δ (Hg1201) is advantageous for experimentally detecting subtle features of these phases. In this work, we investigate the recombination dynamics of photo-excited quasiparticles in Hg1201 as a function of doping, temperature, and magnetic field using pump-probe optical reflectivity. We observe two distinct onset temperatures above TC in the underdoped part of the phase diagram, corresponding to T* and T** as observed in transport and neutron scattering experiments. We also measure a suppression of the recombination rate near TC which peaks at 8% hole concentration. We associate this suppression with coherence effects. Lastly, we observe a complex, non-monotonic temperature dependence in the dynamics around optimal doping, providing evidence for reentrant phase transitions near the apex of the superconducting dome. Work supported by DOE-BES
Majorana neutrino and the vacuum of Bogoliubov quasiparticle
NASA Astrophysics Data System (ADS)
Fujikawa, Kazuo
2018-06-01
The Lagrangian of the seesaw mechanism is C violating but the same Lagrangian when re-written in terms of Majorana neutrinos is manifestly C invariant. To resolve this puzzling feature, a relativistic analogue of Bogoliubov transformation, which preserves CP but explicitly breaks C and P separately, was introduced together with the notions of a Bogoliubov quasiparticle and an analogue of the energy gap in BCS theory. The idea of Majorana neutrino as Bogoliubov quasiparticle was then suggested. In this paper, we study the vacuum structure of the Bogoliubov quasiparticle which becomes heavy by absorbing the C-breaking. By treating an infinitesimally small C violating term as an analogue of the chiral symmetry breaking nucleon mass in the model of Nambu and Jona-Lasinio, we construct an explicit form of the vacuum of the Bogoliubov quasiparticle which defines Majorana neutrinos in seesaw mechanism. The vacuum of the Bogoliubov quasiparticle thus constructed has an analogous condensate structure as the vacuum of the quasiparticle (nucleon) in the Nambu-Jona-Lasinio model.
NASA Astrophysics Data System (ADS)
Zhang, Wen; Liu, Yi; Wang, Xiaoying; Zhang, Yun; Xie, Donghua
2018-03-01
The heavy fermion physics arises from the complex interplay of nearly localized 4f/5f electrons and itinerant band-like ones, yielding heavy quasiparticles with an effective mass about 100 times (or more) of the bare electrons. Recently, experimental and theoretical investigations point out a localized and delocalized dual nature in actinide compounds, where itinerant quasiparticles account for the unconventional superconductivity in the vicinity of a magnetic instability. Here we report the strong coupling between localized 5f moments and itinerant quasiparticles in the ferromagnetic superconductor UGe2. The coupling is nearly antiferromagnetic. As embedded in the ferromagnetic matrix of localized 5f moments below {T}{{C}}≈ 52 {{K}}, this coupling leads to short-range dynamic correlations of heavy quasiparticles, characterized by fluctuations of magnetic clusters. Those cluster-like spins of itinerant quasiparticles show a broad hump of magnetization at {T}X≈ 28 {{K}}, which is typical for the spin-glass freezing. Thus, our results present the direct observation of itinerant quasiparticles coexisting with localized 5f moments by conventional magnetic measurements, providing a new route into the coexistence between ferromagnetism and superconductivity in heavy fermion systems. Project supported by the National Natural Science Foundation of China (Grant No. 11404297), the Science Challenge Project (Grant No. TZ2016004), and the Science and Technology Foundation of China Academy of Engineering Physics (Grant Nos. 2013B0301050 and 2014A0301013).
Horiba, Koji; Kitamura, Miho; Yoshimatsu, Kohei; Minohara, Makoto; Sakai, Enju; Kobayashi, Masaki; Fujimori, Atsushi; Kumigashira, Hiroshi
2016-02-19
In order to reveal the many-body interactions in three-dimensional perovskite manganites that show colossal magnetoresistance, we performed an in situ angle-resolved photoemission spectroscopy on La_{0.6}Sr_{0.4}MnO_{3} and investigated the behavior of quasiparticles. We observed quasiparticle peaks near the Fermi momentum in both the electron and the hole bands, and clear kinks throughout the entire hole Fermi surface in the band dispersion. This isotropic behavior of quasiparticles and kinks suggests that polaronic quasiparticles produced by the coupling of electrons with Jahn-Teller phonons play an important role in the colossal magnetoresistance properties of the ferromagnetic metallic phase of three-dimensional manganites.
Butler, Christopher John; Yang, Po-Ya; Sankar, Raman; Lien, Yen-Neng; Lu, Chun-I; Chang, Luo-Yueh; Chen, Chia-Hao; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong
2016-09-28
Observations of quasiparticle interference have been used in recent years to examine exotic carrier behavior at the surfaces of emergent materials, connecting carrier dispersion and scattering dynamics to real-space features with atomic resolution. We observe quasiparticle interference in the strongly Rashba split 2DEG-like surface band found at the tellurium termination of BiTeBr and examine two mechanisms governing quasiparticle scattering: We confirm the suppression of spin-flip scattering by comparing measured quasiparticle interference with a spin-dependent elastic scattering model applied to the calculated spectral function. We also use atomically resolved STM maps to identify point defect lattice sites and spectro-microscopy imaging to discern their varying scattering strengths, which we understand in terms of the calculated orbital characteristics of the surface band. Defects on the Bi sublattice cause the strongest scattering of the predominantly Bi 6p derived surface band, with other defects causing nearly no scattering near the conduction band minimum.
Quasiparticle energies, excitonic effects, and dielectric screening in transparent conducting oxides
NASA Astrophysics Data System (ADS)
Schleife, André
Using the power of high-performance super computers, computational materials scientists nowadays employ highly accurate quantum-mechanical approaches to reliably predict materials properties. In particular, many-body perturbation theory is an excellent framework for performing theoretical spectroscopy on novel materials including transparent conducting oxides, since this framework accurately describes quasiparticle and excitonic effects.We recently used hybrid exchange-correlation functionals and an efficient implementation of the Bethe-Salpeter approach to investigate several important transparent conducting oxides. Despite their exceptional potential for applications in photovoltaics and optoelectronics their optical properties oftentimes remain poorly understood: Our calculations explain the optical spectrum of bixbyite indium oxide over a very large photon energy range, which allows us to discuss the importance of quasiparticle and excitonic effects at low photon energies around the absorption onset, but also for excitations up to 40 eV. We show that in this regime the energy dependence of the electronic self energy cannot be neglected. Furthermore, we investigated the influence of excitonic effects on optical absorption for lanthanum-aluminum oxide and hafnium oxide. Their complicated conduction band structures require an accurate description of quasiparticle energies and we find that for these strongly polar materials, a contribution of the lattice polarizability to dielectric screening needs to be taken into account. We discuss how this affects the electron-hole interaction and find a strong influence on excitonic effects.The deep understanding of electronic excitations that can be obtained using these modern first-principles techniques, eventually will allow for computational materials design, e.g. of band gaps, densities of states, and optical properties of transparent conducting oxides and other materials with societally important applications.
Quasiparticle Energies and Band Gaps in Graphene Nanoribbons
NASA Astrophysics Data System (ADS)
Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.
2007-11-01
We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.
NASA Astrophysics Data System (ADS)
Venema, Liesbeth; Verberck, Bart; Georgescu, Iulia; Prando, Giacomo; Couderc, Elsa; Milana, Silvia; Maragkou, Maria; Persechini, Lina; Pacchioni, Giulia; Fleet, Luke
2016-12-01
Quasiparticles are an extremely useful concept that provides a more intuitive understanding of complex phenomena in many-body physics. As such, they appear in various contexts, linking ideas across different fields and supplying a common language.
Lin, Kung-Hsuan; Wang, Kuan-Jen; Chang, Chung-Chieh; Wen, Yu-Chieh; Lv, Bing; Chu, Ching-Wu; Wu, Maw-Kuen
2016-01-01
We have utilized ultrafast optical spectroscopy to study carrier dynamics in slightly underdoped (BaK)Fe2As2 crystals without magnetic transition. The photoelastic signals due to coherent acoustic phonons have been quantitatively investigated. According to our temperature-dependent results, we found that the relaxation component of superconducting quasiparticles persisted from the superconducting state up to at least 70 K in the normal state. Our findings suggest that the pseudogaplike feature in the normal state is possibly the precursor of superconductivity. We also highlight that the pseudogap feature of K-doped BaFe2As2 is different from that of other iron-based superconductors, including Co-doped or P-doped BaFe2As2. PMID:27180873
Shooting quasiparticles from Andreev bound states in a superconducting constriction
DOE Office of Scientific and Technical Information (OSTI.GOV)
Riwar, R.-P.; Houzet, M.; Meyer, J. S.
2014-12-15
A few-channel superconducting constriction provides a set of discrete Andreev bound states that may be populated with quasiparticles. Motivated by recent experimental research, we study the processes in an a.c. driven constriction whereby a quasiparticle is promoted to the delocalized states outside the superconducting gap and flies away. We distinguish two processes of this kind. In the process of ionization, a quasiparticle present in the Andreev bound state is transferred to the delocalized states leaving the constriction. The refill process involves two quasiparticles: one flies away while another one appears in the Andreev bound state. We notice an interesting asymmetrymore » of these processes. The electron-like quasiparticles are predominantly emitted to one side of the constriction while the hole-like ones are emitted to the other side. This produces a charge imbalance of accumulated quasiparticles, that is opposite on opposite sides of the junction. The imbalance may be detected with a tunnel contact to a normal metal lead.« less
Quasiparticles and Fermi liquid behaviour in an organic metal
Kiss, T.; Chainani, A.; Yamamoto, H.M.; Miyazaki, T.; Akimoto, T.; Shimojima, T.; Ishizaka, K.; Watanabe, S.; Chen, C.-T.; Fukaya, A.; Kato, R.; Shin, S.
2012-01-01
Many organic metals display exotic properties such as superconductivity, spin-charge separation and so on and have been described as quasi-one-dimensional Luttinger liquids. However, a genuine Fermi liquid behaviour with quasiparticles and Fermi surfaces have not been reported to date for any organic metal. Here, we report the experimental Fermi surface and band structure of an organic metal (BEDT-TTF)3Br(pBIB) obtained using angle-resolved photoelectron spectroscopy, and show its consistency with first-principles band structure calculations. Our results reveal a quasiparticle renormalization at low energy scales (effective mass m*=1.9 me) and ω2 dependence of the imaginary part of the self energy, limited by a kink at ~50 meV arising from coupling to molecular vibrations. The study unambiguously proves that (BEDT-TTF)3Br(pBIB) is a quasi-2D organic Fermi liquid with a Fermi surface consistent with Shubnikov-de Haas results. PMID:23011143
Using Quasiparticle Poisoning To Detect Photons
NASA Technical Reports Server (NTRS)
Echternach, Pierre; Day, Peter
2006-01-01
According to a proposal, a phenomenon associated with excitation of quasiparticles in certain superconducting quantum devices would be exploited as a means of detecting photons with exquisite sensitivity. The phenomenon could also be exploited to perform medium-resolution spectroscopy. The proposal was inspired by the observation that Coulomb blockade devices upon which some quantum logic gates are based are extremely sensitive to quasiparticles excited above the superconducting gaps in their leads. The presence of quasiparticles in the leads can be easily detected via the charge states. If quasiparticles could be generated in the leads by absorption of photons, then the devices could be used as very sensitive detectors of electromagnetic radiation over the spectral range from x-rays to submillimeter waves. The devices in question are single-Cooper-pair boxes (SCBs), which are mesoscopic superconducting devices developed for quantum computing. An SCB consists of a small superconducting island connected to a reservoir via a small tunnel junction and connected to a voltage source through a gate capacitor. An SCB is an artificial two-level quantum system, the Hamiltonian of which can be controlled by the gate voltage. One measures the expected value of the charge of the eigenvectors of this quantum system by use of a radio-frequency single-electron transistor. A plot of this expected value of charge as a function of gate voltage resembles a staircase that, in the ideal case, consists of steps of height 2 e (where e is the charge of one electron). Experiments have shown that depending on the parameters of the device, quasiparticles in the form of "broken" Cooper pairs present in the reservoir can tunnel to the island, giving rise to steps of 1 e. This effect is sometimes called "poisoning." Simulations have shown that an extremely small average number of quasiparticles can generate a 1-e periodic signal. In a device according to the proposal, this poisoning would be
Quasiparticle-mediated spin Hall effect in a superconductor.
Wakamura, T; Akaike, H; Omori, Y; Niimi, Y; Takahashi, S; Fujimaki, A; Maekawa, S; Otani, Y
2015-07-01
In some materials the competition between superconductivity and magnetism brings about a variety of unique phenomena such as the coexistence of superconductivity and magnetism in heavy-fermion superconductors or spin-triplet supercurrent in ferromagnetic Josephson junctions. Recent observations of spin-charge separation in a lateral spin valve with a superconductor evidence that these remarkable properties are applicable to spintronics, although there are still few works exploring this possibility. Here, we report the experimental observation of the quasiparticle-mediated spin Hall effect in a superconductor, NbN. This compound exhibits the inverse spin Hall (ISH) effect even below the superconducting transition temperature. Surprisingly, the ISH signal increases by more than 2,000 times compared with that in the normal state with a decrease of the injected spin current. The effect disappears when the distance between the voltage probes becomes larger than the charge imbalance length, corroborating that the huge ISH signals measured are mediated by quasiparticles.
Quasiparticle lifetime in a mixture of Bose and Fermi superfluids.
Zheng, Wei; Zhai, Hui
2014-12-31
In this Letter, we study the effect of quasiparticle interactions in a Bose-Fermi superfluid mixture. We consider the lifetime of a quasiparticle of the Bose superfluid due to its interaction with quasiparticles in the Fermi superfluid. We find that this damping rate, i.e., the inverse of the lifetime, has quite a different threshold behavior at the BCS and the BEC side of the Fermi superfluid. The damping rate is a constant near the threshold momentum in the BCS side, while it increases rapidly in the BEC side. This is because, in the BCS side, the decay process is restricted by the constraint that the fermion quasiparticle is located near the Fermi surface, while such a restriction does not exist in the BEC side where the damping process is dominated by bosonic quasiparticles of the Fermi superfluid. Our results are related to the collective mode experiment in the recently realized Bose-Fermi superfluid mixture.
Kondo physics from quasiparticle poisoning in Majorana devices
Plugge, S.; Tsvelik, A. M.; Zazunov, A.; ...
2016-03-24
Here, we present a theoretical analysis of quasiparticle poisoning in Coulomb-blockaded Majorana fermion systems tunnel-coupled to normal-conducting leads. Taking into account finite-energy quasiparticles, we derive the effective low-energy theory and present a renormalization group analysis. We find qualitatively new effects when a quasiparticle state with very low energy is localized near a tunnel contact. For M = 2 attached leads, such “dangerous” quasiparticle poisoning processes cause a spin S = 1/2 single-channel Kondo effect, which can be detected through a characteristic zero-bias anomaly conductance peak in all Coulomb blockade valleys. For more than two attached leads, the topological Kondo effectmore » of the unpoisoned system becomes unstable. A strong-coupling bosonization analysis indicates that at low energy the poisoned lead is effectively decoupled and hence, for M > 3, the topological Kondo fixed point re-emerges, though now it involves only M–1 leads. As a consequence, for M = 3, the low-energy fixed point becomes trivial corresponding to decoupled leads.« less
Sign Reversal of Coulom Interaction Between Two Quasiparticles in Momentum Space
NASA Astrophysics Data System (ADS)
Fan, J. D.; Malozovsky, Yuriy M.
2013-06-01
The main misconception regarding the interaction between quasiparticles stems from the assertion that the interaction energy between two quasiparticles is exactly identical to that of the renormalized interaction between two particles due to interparticle interaction in the Fermi system. If the main concept regarding the definition of quasiparticle as a weakly excited state of the Fermi system with conservation of charge and spin is paramount (except for the charge and spin separation models), the concept of the interaction between quasiparticles is very different from the assumption in the common sense. In this paper, we will prove a general theorem that the interaction between two quasiparticles is very much different from the renormalized interaction between two particles. The major difference lies in two places: the interaction between two quasiparticles is just negative to the renormalized interaction between two particles, and the interaction energy between the two particles is proportional to the product of two Fermi liquid renormalization factors. The result shed light on the reinterpretation of Cooper's pairing without invoking electron-photon interaction.
Effects of the coupling of quasiparticle and collective vibrations on the properties of 120Sn
NASA Astrophysics Data System (ADS)
Vigezzi, Enrico
2018-03-01
Assuming quasiparticles and collective vibrations as fundamental modes of excitation and taking into account their interplay within the framework of Nuclear Field Theory, it is possible to give an accurate and comprehensive description of the low-energy spectrum of the superfluid nucleus 120Sn.
Quasiparticle Coherence, Collective Modes, and Competing Order in Cuprate Superconductors
NASA Astrophysics Data System (ADS)
Hinton, James Patrick
In recent years, the study of cuprate superconductors has been dominated by the investigation of normal state properties. Of particular interest is the nature of interactions between superconductivity and other incipient orders which emerge above the superconducting transition temperature, Tc. The discovery of charge density wave (CDW) correlations in YBa2Cu3O6+x (YBCO) and HgBa2CuO 4+d (Hg-1201) has established that some form of charge order is ubiquitous in the cuprates. In this work, we explore the non-equilibrium dynamics of systems which sit near the boundary between superconductivity and competing orders. Ultrafast pump-probe spectroscopy is ideally suited to the study of competing order. Exciting the sample with an optical pulse perturbs the system from equilibrium, altering the balance between the co-existing orders. The return to equilibrium is then monitored by a time-delayed probe pulse, revealing multiple decay processes as well as collective excitations. We first apply this technique to Hg-1201, conducting a detailed study of the phase diagram. At temperatures near Tc, the pump pulse induces a non-equilibrium quasiparticle population. At Tc we observe a doping-dependent peak in the relaxation time of these quasiparticles which we associate with a divergence in the coherence time of the fluctuating CDW. Using heterodyne probing in the transient grating geometry, we are able to disentangle the transient reflectivity components associated with superconductivity and the pseudogap, domonstrating competition across the phase diagram. We also discuss the observation of a sharp transition in the nature of the pseudogap signal at ˜ 11% doping. In YBCO, we explore the temperature and doping dependence of coherent oscillations excited by the pump pulse. We associate these oscillations with the excitation of the CDW amplitude mode, and model their temperature dependence within the framework of a Landau model of competing orders. We conclude with an investigation
Li, Huashan; Lin, Zhibin; Lusk, Mark T; Wu, Zhigang
2014-10-21
The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.
NASA Astrophysics Data System (ADS)
Mukherjee, Shantanu; Lee, Wei-Cheng
2015-12-01
The quasiparticle interferences (QPIs) of the featureless Mott insulators are investigated by a T -matrix formalism implemented with the dynamical mean field theory (T -DMFT). In the Mott insulating state, due to the singularity at zero frequency in the real part of the electron self-energy [Re Σ (ω )˜η /ω ] predicted by DMFT, where η can be considered as the "order parameter" for the Mott insulating state, QPIs are completely washed out at small bias voltages. However, a further analysis shows that Re Σ (ω ) serves as an energy-dependent chemical potential shift. As a result, the effective bias voltage seen by the system is e V'=e V -Re Σ (e V ) , which leads to a critical bias voltage e Vc˜√{η } satisfying e V'=0 if and only if η is nonzero. Consequently, the same QPI patterns produced by the noninteracting Fermi surfaces appear at this critical bias voltage e Vc in the Mott insulating state. We propose that this reentry of noninteracting QPI patterns at e Vc could serve as an experimental signature of the Mott insulating state, and the order parameter can be experimentally measured as η ˜(eVc) 2 .
NASA Astrophysics Data System (ADS)
Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong
2016-02-01
The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.
Mayers, Matthew Z.; Hybertsen, Mark S.; Reichman, David R.
2016-08-22
A cumulant-based GW approximation for the retarded one-particle Green's function is proposed, motivated by an exact relation between the improper Dyson self-energy and the cumulant generating function. We explore qualitative aspects of this method within a simple one-electron independent phonon model, where it is seen that the method preserves the energy moment of the spectral weight while also reproducing the exact Green's function in the weak-coupling limit. For the three-dimensional electron gas, this method predicts multiple satellites at the bottom of the band, albeit with inaccurate peak spacing. But, its quasiparticle properties and correlation energies are more accurate than bothmore » previous cumulant methods and standard G0W0. These results point to features that may be exploited within the framework of cumulant-based methods and suggest promising directions for future exploration and improvements of cumulant-based GW approaches.« less
Majorana neutrinos in the seesaw mechanism and Bogoliubov quasiparticles
NASA Astrophysics Data System (ADS)
Fujikawa, Kazuo; Tureanu, Anca
2018-03-01
The idea that the Majorana neutrino should be identified as a Bogoliubov quasiparticle is applied to the seesaw mechanism for the three generations of neutrinos in the Standard Model. A relativistic analog of the Bogoliubov transformation in the present context is a C P -preserving canonical transformation but modifies charge conjugation properties in such a way that the C-noninvariant fermion number-violating term (condensate) is converted to a Dirac mass term. Puzzling aspects associated with the charge conjugation of chiral Weyl fermions are clarified.
Harmonic and reactive behavior of the quasiparticle tunnel current in SIS junctions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rashid, H., E-mail: hawal@chalmers.se; Desmaris, V.; Pavolotsky, A.
In this paper, we show theoretically and experimentally that the reactive quasiparticle tunnel current of the superconductor tunnel junction could be directly measured at specific bias voltages for the higher harmonics of the quasiparticle tunnel current. We used the theory of quasiparticle tunneling to study the higher harmonics of the quasiparticle tunnel current in superconducting tunnel junction in the presence of rf irradiation. The impact of the reactive current on the harmonic behavior of the quasiparticle tunnel current was carefully studied by implementing a practical model with four parameters to model the dc I-V characteristics of the superconducting tunnel junction.more » The measured reactive current at the specific bias voltage is in good agreement with our theoretically calculated reactive current through the Kramers-Kronig transform. This study also shows that there is an excellent correspondence between the behavior of the predicted higher harmonics using the previously established theory of quasiparticle tunnel current in superconducting tunnel junctions by J.R. Tucker and M.J. Feldman and the measurements presented in this paper.« less
Dependence of the quasiparticle recombination rate on the superconducting gap and TC
NASA Astrophysics Data System (ADS)
Carr, G. L.; Xi, Xiaoxiang; Hwang, J.; Tashiro, H.; Reitze, D. H.; Tanner, D. B.
2010-03-01
The relaxation of excess quasiparticles in a BCS superconductor is known to depend on quantities such as the quasiparticle & phonon density of states, and their coupling (Kaplan et al, Phys. Rev. B 14 4854, 1976). Disorder or an applied field can disrupt superconductivity, as evidenced by a reduced TC. We consider some simple modifications to the quasiparticle density of states consistent with a suppressed energy gap and TC, leading to changes in the intrinsic and effective (measured) rates for excess quasiparticles to recombine into pairs. We review some results for disordered MoGe and discuss the magnetic-field dependence of the recombination process.
NASA Astrophysics Data System (ADS)
Lu, Yong; Sun, Tao; Zhang, Dong-Bo
2018-05-01
We investigated the vibrational property of lead telluride (PbTe) with a focus on lattice anharmonicity at moderate temperatures (300
Conversion Gain in MM-Wave Quasiparticle Heterodyne Mixers,
1981-01-01
superconductor-insulating oxide -superconductor SIS (Josephson) tunnel junc- tions [4-141. Due to the singularity in density of states of quasiparticles in the...superconductors on two sides of the oxide barrier, there is a sudden onset of quasiparticle tunneling current at bias voltage near the full...Phillips, and D. P. Woody, ’Low noise 115 GHz mixing in supercon- ducting oxide barrier tunnel junctions,’ App. Phys. Lett., vol. 34, pp. 347-349, March
NASA Astrophysics Data System (ADS)
Zhang, ZhenHua
2016-07-01
The high-spin rotational properties of two-quasiparticle bands in the doubly-odd 166Ta are analyzed using the cranked shell model with pairing correlations treated by a particle-number conserving method, in which the blocking effects are taken into account exactly. The experimental moments of inertia and alignments and their variations with the rotational frequency hω are reproduced very well by the particle-number conserving calculations, which provides a reliable support to the configuration assignments in previous works for these bands. The backbendings in these two-quasiparticle bands are analyzed by the calculated occupation probabilities and the contributions of each orbital to the total angular momentum alignments. The moments of inertia and alignments for the Gallagher-Moszkowski partners of these observed two-quasiparticle rotational bands are also predicted.
Holographic maps of quasiparticle interference
NASA Astrophysics Data System (ADS)
Dalla Torre, Emanuele G.; He, Yang; Demler, Eugene
2016-11-01
The analysis of Fourier-transformed scanning tunnelling microscopy images with subatomic resolution is a common tool for studying the properties of quasiparticle excitations in strongly correlated materials. Although Fourier amplitudes are generally complex valued, earlier analysis primarily focused on their absolute values. Their complex phases were often deemed random, and thus irrelevant, due to the unknown positions of the impurities in the sample. Here we show how to factor out these random phases by analysing overlaps between Fourier amplitudes that differ by reciprocal lattice vectors. The resulting holographic maps provide important and previously unknown information about the electronic structures. When applied to superconducting cuprates, our method solves a long-standing puzzle of the dichotomy between equivalent wavevectors. We show that d-wave Wannier functions of the conduction band provide a natural explanation for experimental results that were interpreted as evidence for competing unconventional charge modulations. Our work opens a new pathway to identify the nature of electronic states in scanning tunnelling microscopy.
Shimizu, Yusei; Kittaka, Shunichiro; Sakakibara, Toshiro; Haga, Yoshinori; Yamamoto, Etsuji; Amitsuka, Hiroshi; Tsutsumi, Yasumasa; Machida, Kazushige
2015-04-10
Low-energy quasiparticle excitations in the superconducting (SC) state of UBe_{13} were studied by means of specific-heat (C) measurements in a rotating field. Quite unexpectedly, the magnetic-field dependence of C(H) is linear in H with no angular dependence at low fields in the SC state, implying that the gap is fully open over the Fermi surfaces, in stark contrast to previous expectations. In addition, a characteristic cubic anisotropy of C(H) was observed above 2 T with a maximum (minimum) for H∥[001] ([111]) within the (11[over ¯]0) plane, in the normal as well as in the SC states. This oscillation possibly originates from the anisotropic response of the heavy quasiparticle bands, and might be a key to understand the unusual properties of UBe_{13}.
Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S
2013-05-14
We report a detailed theoretical study of the structural and vibrational properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave pseudopotential code with either the local density approximation, the generalized gradient approximation, or with a correction to include van der Waals interactions. Our calculated equilibrium lattice parameters and volume using a dispersion correction are found to be in reasonable agreement with the experimental results. Also, our calculations reproduce the experimental trends in the structural properties at high pressure. We found a discontinuity in the bond length, bond angles, and also a weakening of hydrogen bond strength in the pressure range from 10 to 12 GPa, picturing the structural transition from phase I to phase II. Moreover, we predict the elastic constants of solid nitromethane and find that the corresponding bulk modulus is in good agreement with experiments. The calculated elastic constants show an order of C11> C22 > C33, indicating that the material is more compressible along the c-axis. We also calculated the zone center vibrational frequencies and discuss the internal and external modes of this material under pressure. From this, we found the softening of lattice modes around 8-11 GPa. We have also attempted the quasiparticle band structure of solid nitromethane with the G0W0 approximation and found that nitromethane is an indirect band gap insulator with a value of the band gap of about 7.8 eV with G0W0 approximation. Finally, the optical properties of this material, namely the absorptive and dispersive part of the dielectric function, and the refractive index and absorption spectra are calculated and the contribution of different transition peaks of the absorption spectra are analyzed. The static dielectric constant and refractive indices along the three inequivalent crystallographic directions indicate that this material
NASA Astrophysics Data System (ADS)
Saira, Olli-Pentti; Maisi, Ville; Kemppinen, Antti; Möttönen, Mikko; Pekola, Jukka
2013-03-01
Superconducting thin films and tunnel junctions are the building blocks of many state-of-the-art technologies related to quantum information processing, microwave detection, and electronic amplification. These devices operate at millikelvin temperatures, and - in a naive picture - their fidelity metrics are expected to improve as the temperature is lowered. However, very often one finds in the experiment that the device performance levels off around 100-150 mK. In my presentation, I will address three common physical mechanisms that can cause such saturation: stray microwaves, nonequilibrium quasiparticles, and sub-gap quasiparticle states. The new experimental data I will present is based on a series of studies on quasiparticle transport in Coulomb-blockaded normal-insulator-superconductor tunnel junction devices. We have used a capacitively coupled SET electrometer to detect individual quasiparticle tunneling events in real time. We demonstrate the following record-low values for thin film aluminum: quasiparticle density nqp < 0 . 033 / μm3 , normalized density of sub-gap quasiparticle states (Dynes parameter) γ < 1 . 6 ×10-7 . I will also discuss some sample stage and chip designs that improve microwave shielding.
Hotspot relaxation dynamics in a current-carrying superconductor
NASA Astrophysics Data System (ADS)
Marsili, F.; Stevens, M. J.; Kozorezov, A.; Verma, V. B.; Lambert, Colin; Stern, J. A.; Horansky, R. D.; Dyer, S.; Duff, S.; Pappas, D. P.; Lita, A. E.; Shaw, M. D.; Mirin, R. P.; Nam, S. W.
2016-03-01
We experimentally studied the dynamics of optically excited hotspots in current-carrying WSi superconducting nanowires as a function of bias current, bath temperature, and excitation wavelength. We observed that the hotspot relaxation time depends on bias current, temperature, and wavelength. We explained this effect with a model based on quasiparticle recombination, which provides insight into the quasiparticle dynamics of superconductors.
Quasiparticle spectra from molecules to bulk
DOE Office of Scientific and Technical Information (OSTI.GOV)
Vlček, Vojtěch; Rabani, Eran; Neuhauser, Daniel
We present a stochastic cumulant GW method, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes, and emergence of collective excitations from molecules to bulklike systems with up to thousands of valence electrons, including Si nanocrystals and nanoplatelets. The quasiparticle energies rise due to their coupling with collective shake-up (plasmon) excitations, and this coupling leads to significant spectral weight loss (up to 50% for the low-energy states), shortening the lifetimes and shifting the spectral features to lower energies by as much as 0.6 eV. Such features are common to all the systems studied irrespective of their sizesmore » and shapes. For small and low-dimensional systems the surface plasmon resonances affect the frequency of the collective excitation and position of the satellites.« less
Quasiparticle spectra from molecules to bulk
Vlček, Vojtěch; Rabani, Eran; Neuhauser, Daniel
2018-03-16
We present a stochastic cumulant GW method, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes, and emergence of collective excitations from molecules to bulklike systems with up to thousands of valence electrons, including Si nanocrystals and nanoplatelets. The quasiparticle energies rise due to their coupling with collective shake-up (plasmon) excitations, and this coupling leads to significant spectral weight loss (up to 50% for the low-energy states), shortening the lifetimes and shifting the spectral features to lower energies by as much as 0.6 eV. Such features are common to all the systems studied irrespective of their sizesmore » and shapes. For small and low-dimensional systems the surface plasmon resonances affect the frequency of the collective excitation and position of the satellites.« less
Scaling analysis of the non-Abelian quasiparticle tunneling in Z}}_k FQH states
NASA Astrophysics Data System (ADS)
Li, Qi; Jiang, Na; Wan, Xin; Hu, Zi-Xiang
2018-06-01
Quasiparticle tunneling between two counter propagating edges through point contacts could provide information on its statistics. Previous study of the short distance tunneling displays a scaling behavior, especially in the conformal limit with zero tunneling distance. The scaling exponents for the non-Abelian quasiparticle tunneling exhibit some non-trivial behaviors. In this work, we revisit the quasiparticle tunneling amplitudes and their scaling behavior in a full range of the tunneling distance by putting the electrons on the surface of a cylinder. The edge–edge distance can be smoothly tuned by varying the aspect ratio for a finite size cylinder. We analyze the scaling behavior of the quasiparticles for the Read–Rezayi states for and 4 both in the short and long tunneling distance region. The finite size scaling analysis automatically gives us a critical length scale where the anomalous correction appears. We demonstrate this length scale is related to the size of the quasiparticle at which the backscattering between two counter propagating edges starts to be significant.
NASA Astrophysics Data System (ADS)
Xu, Nan; Autes, Gabriel; Matt, Christian; Lv, Baiqing; Bisti, Federico; Strocov, Vladimir; Gawryluk, Dariusz; Pomjakushina, Ekaterina; Conder, Kazimierz; Plumb, Nicholas; Radovic, Milan; Qian, Tian; Yazyev, Oleg; Mesot, Joel; Ding, Hong; Shi, Ming
By performing ARPES and first-principle calculations, we demonstrate that Weyl fermions quasiparticles in bulk and Fermi arc on surface show distinct evolutions with the bulk band topology in transition-metal monophosphides. While Weyl fermion quasiparticles exist only when the chemical potential is located between two saddle points of the Weyl cone features, the Fermi arc states extend in a larger energy scale and are robust across the bulk Lifshitz transitions associated with the recombination of two non-trivial Fermi surfaces enclosing one Weyl point into a single trivial Fermi surface enclosing two Weyl points of opposite chirality. Therefore, in some systems (NbP), Fermi arc states are preserved even if Weyl fermion quasiparticles are absent in the bulk. Our findings not only provide insight into the relationship between the exotic physical phenomena and the intrinsic bulk band topology in Weyl semimetals, but also resolve the apparent puzzle of the different magneto-transport properties observed in TaAs, TaP and NbP, where the Fermi arc states are similar. The Sino-Swiss Science and Technology Cooperation (No. IZLCZ2138954), NCCR-MARVEL funded by the Swiss National Science Foundation.
Vortices and quasiparticles near the superconductor-insulator transition in thin films.
Galitski, Victor M; Refael, G; Fisher, Matthew P A; Senthil, T
2005-08-12
We study the low temperature behavior of an amorphous superconducting film driven normal by a perpendicular magnetic-field (B). For this purpose we introduce a new two-fluid formulation consisting of fermionized field-induced vortices and electrically neutralized Bogoliubov quasiparticles (spinons) interacting via a long-ranged statistical interaction. This approach allows us to access a novel non-Fermi-liquid phase, which naturally interpolates between the low B superconductor and the high B normal metal. We discuss the properties of the resulting "vortex metal" phase.
Quasi-particle energies and optical excitations of hydrogenated and fluorinated germanene.
Shu, Huabing; Li, Yunhai; Wang, Shudong; Wang, Jinlan
2015-02-14
Using density functional theory, the G0W0 method and Bethe-Salpeter equation calculations, we systematically explore the structural, electronic and optical properties of hydrogenated and fluorinated germanene. The hydrogenated/fluorinated germanene tends to form chair and zigzag-line configurations and its electronic and optical properties show close geometry dependence. The chair hydrogenated/fluorinated and zigzag-line fluorinated germanene are direct band-gap semiconductors, while the zigzag-line hydrogenated germanene owns an indirect band-gap. Moreover, the quasi-particle corrections are significant and strong excitonic effects with large exciton binding energies are observed. Moreover, the zigzag-line hydrogenated/fluorinated germanene shows highly anisotropic optical responses, which may be used as a good optical linear polarizer.
Doping dependence of low-energy quasiparticle excitations in superconducting Bi2212.
Ino, Akihiro; Anzai, Hiroaki; Arita, Masashi; Namatame, Hirofumi; Taniguchi, Masaki; Ishikado, Motoyuki; Fujita, Kazuhiro; Ishida, Shigeyuki; Uchida, Shinichi
2013-12-05
: The doping-dependent evolution of the d-wave superconducting state is studied from the perspective of the angle-resolved photoemission spectra of a high-Tc cuprate, Bi2Sr2CaCu2 O8+δ (Bi2212). The anisotropic evolution of the energy gap for Bogoliubov quasiparticles is parametrized by critical temperature and superfluid density. The renormalization of nodal quasiparticles is evaluated in terms of mass enhancement spectra. These quantities shed light on the strong coupling nature of electron pairing and the impact of forward elastic or inelastic scatterings. We suggest that the quasiparticle excitations in the superconducting cuprates are profoundly affected by doping-dependent screening.
Doping dependence of low-energy quasiparticle excitations in superconducting Bi2212
2013-01-01
The doping-dependent evolution of the d-wave superconducting state is studied from the perspective of the angle-resolved photoemission spectra of a high-Tc cuprate, Bi2Sr2CaCu2 O8+δ (Bi2212). The anisotropic evolution of the energy gap for Bogoliubov quasiparticles is parametrized by critical temperature and superfluid density. The renormalization of nodal quasiparticles is evaluated in terms of mass enhancement spectra. These quantities shed light on the strong coupling nature of electron pairing and the impact of forward elastic or inelastic scatterings. We suggest that the quasiparticle excitations in the superconducting cuprates are profoundly affected by doping-dependent screening. PMID:24314035
Temperature Dependence of Quasiparticle Spectral Weight and Coherence in High Tc Superconductors
NASA Astrophysics Data System (ADS)
He, Yang; Zhang, Jessie; Hoffman, Jennifer; Hoffman Lab Team
2014-03-01
Superconductivity arises from the Cooper pairing of quasiparticles on the Fermi surface. Understanding the formation of Cooper pairs is an essential step towards unveiling the mechanism of high Tc superconductivity. We compare scanning tunneling microscope investigations of the temperature dependence of quasiparticle spectral weight and quasiparticle interference in several families of high Tc materials. We calculate the coherent spectral weight related to superconductivity, despite the coexistence of competing orders. The relation between pairing temperature and coherent spectral weight is discussed. We acknowledge support by the New York Community Trust-George Merck Fund.
NASA Astrophysics Data System (ADS)
Wood, R. T.; Walker, P. M.; Lane, G. J.; Carroll, R. J.; Cullen, D. M.; Dracoulis, G. D.; Hota, S. S.; Kibédi, T.; Palalani, N.; Podolyák, Zs.; Reed, M. W.; Schiffl, K.; Wright, A. M.
2017-05-01
Using the 168Er(10B,5 n ) reaction at a beam energy of 68 MeV, new data have been obtained for the population and decay of a T1 /2=148 ns, Kπ=21 /2- three-quasiparticle isomer at 1717 keV in 173Ta. Revised decay energies and intensities have been determined, together with newly observed members of a rotational band associated with the isomer. By comparison with other isomers in the A ≈180 deformed region, the 173Ta isomer properties help to specify the key degrees of freedom that determine K -forbidden transition rates. In particular, when all three quasiparticles are of the same nucleon type, there is a strong dependence of the E 2 reduced hindrance factor on the isomer excitation energy.
GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.
Patrick, Christopher E; Giustino, Feliciano
2012-05-23
We investigate the quasiparticle band structure of anatase TiO(2), a wide gap semiconductor widely employed in photovoltaics and photocatalysis. We obtain GW quasiparticle energies starting from density-functional theory (DFT) calculations including Hubbard U corrections. Using a simple iterative procedure we determine the value of the Hubbard parameter yielding a vanishing quasiparticle correction to the fundamental bandgap of anatase TiO(2). The bandgap (3.3 eV) calculated using this optimal Hubbard parameter is smaller than the value obtained by applying many-body perturbation theory to standard DFT eigenstates and eigenvalues (3.7 eV). We extend our analysis to the rutile polymorph of TiO(2) and reach similar conclusions. Our work highlights the role of the starting non-interacting Hamiltonian in the calculation of GW quasiparticle energies in TiO(2) and suggests an optimal Hubbard parameter for future calculations.
Quasi-Particle Self-Consistent GW for Molecules.
Kaplan, F; Harding, M E; Seiler, C; Weigend, F; Evers, F; van Setten, M J
2016-06-14
We present the formalism and implementation of quasi-particle self-consistent GW (qsGW) and eigenvalue only quasi-particle self-consistent GW (evGW) adapted to standard quantum chemistry packages. Our implementation is benchmarked against high-level quantum chemistry computations (coupled-cluster theory) and experimental results using a representative set of molecules. Furthermore, we compare the qsGW approach for five molecules relevant for organic photovoltaics to self-consistent GW results (scGW) and analyze the effects of the self-consistency on the ground state density by comparing calculated dipole moments to their experimental values. We show that qsGW makes a significant improvement over conventional G0W0 and that partially self-consistent flavors (in particular evGW) can be excellent alternatives.
Quasiparticle interference in multiband superconductors with strong coupling
NASA Astrophysics Data System (ADS)
Dutt, A.; Golubov, A. A.; Dolgov, O. V.; Efremov, D. V.
2017-08-01
We develop a theory of the quasiparticle interference (QPI) in multiband superconductors based on the strong-coupling Eliashberg approach within the Born approximation. In the framework of this theory, we study dependencies of the QPI response function in the multiband superconductors with the nodeless s -wave superconductive order parameter. We pay special attention to the difference in the quasiparticle scattering between the bands having the same and opposite signs of the order parameter. We show that at the momentum values close to the momentum transfer between two bands, the energy dependence of the quasiparticle interference response function has three singularities. Two of these correspond to the values of the gap functions and the third one depends on both the gaps and the transfer momentum. We argue that only the singularity near the smallest band gap may be used as a universal tool to distinguish between the s++ and s± order parameters. The robustness of the sign of the response function peak near the smaller gap value, irrespective of the change in parameters, in both the symmetry cases is a promising feature that can be harnessed experimentally.
Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111).
Li, Yan; Lu, Deyu; Galli, Giulia
2009-04-14
We present many-body perturbation theory calculations of the electronic properties of phenylene diisocyanide self-assembled monolayers (SAMs) on a gold surface. Using structural models obtained within density functional theory (DFT), we have investigated how the SAM molecular energies are modified by self-energy corrections and how they are affected by the presence of the surface. We have employed a combination of GW (G = Green's function; W = screened Coulomb interaction) calculations of the SAM quasi-particle energies and a semiclassical image potential model to account for surface polarization effects. We find that it is essential to include both quasi-particle corrections and surface screening in order to provide a reasonable estimate of the energy level alignment at a SAM-metal interface. In particular, our results show that within the GW approximation the energy distance between phenylene diisocyanide SAM energy levels and the gold surface Fermi level is much larger than that found within DFT, e.g., more than double in the case of low packing densities of the SAM.
Emergence of the bcc Phase and Phase Transition in Be through Phonon Quasiparticle Calculations
NASA Astrophysics Data System (ADS)
Zhang, D. B., Sr.; Wentzcovitch, R. M.
2016-12-01
Beryllium (Be) is an important material with applications in a number of areas ranging from aerospace components to X-ray equipment. Yet a precise understanding of the phase diagram of Be remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticle properties. We find that the hcp to bcc transition occurs near the melting curve at 0
Scaling analysis of the non-Abelian quasiparticle tunneling in [Formula: see text] FQH states.
Li, Qi; Jiang, Na; Wan, Xin; Hu, Zi-Xiang
2018-06-27
Quasiparticle tunneling between two counter propagating edges through point contacts could provide information on its statistics. Previous study of the short distance tunneling displays a scaling behavior, especially in the conformal limit with zero tunneling distance. The scaling exponents for the non-Abelian quasiparticle tunneling exhibit some non-trivial behaviors. In this work, we revisit the quasiparticle tunneling amplitudes and their scaling behavior in a full range of the tunneling distance by putting the electrons on the surface of a cylinder. The edge-edge distance can be smoothly tuned by varying the aspect ratio for a finite size cylinder. We analyze the scaling behavior of the quasiparticles for the Read-Rezayi [Formula: see text] states for [Formula: see text] and 4 both in the short and long tunneling distance region. The finite size scaling analysis automatically gives us a critical length scale where the anomalous correction appears. We demonstrate this length scale is related to the size of the quasiparticle at which the backscattering between two counter propagating edges starts to be significant.
Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons.
Silva, Gesiel Gomes; da Cunha, Wiliam Ferreira; de Sousa Junior, Rafael Timóteo; Almeida Fonseca, Antonio Luciano; Ribeiro Júnior, Luiz Antônio; E Silva, Geraldo Magela
2018-06-20
An important aspect concerning the performance of armchair graphene nanoribbons (AGNRs) as materials for conceiving electronic devices is related to the mobility of charge carriers in these systems. When several polarons are considered in the system, a quasi-particle wave function can be affected by that of its neighbor provided the two are close enough. As the overlap may affect the transport of the carrier, the question concerning how the density of polarons affect its mobility arises. In this work, we investigate such dependence for semiconducting AGNRs in the scope of nonadiabatic molecular dynamics. Our results unambiguously show an impact of the density on both the stability and average velocity of the quasi-particles. We have found a phase transition between regimes where increasing density stops inhibiting and starts promoting mobility; densities higher than 7 polarons per 45 Å present increasing mean velocity with increasing density. We have also established three different regions relating electric field and average velocity. For the lowest electric field regime, surpassing the aforementioned threshold results in overcoming the 0.3 Å fs-1 limit, thus representing a transition between subsonic and supersonic regimes. For the highest of the electric fields, density effects alone are responsible for a stunning difference of 1.5 Å fs-1 in the mean carrier velocity.
Landau's statistical mechanics for quasi-particle models
NASA Astrophysics Data System (ADS)
Bannur, Vishnu M.
2014-04-01
Landau's formalism of statistical mechanics [following L. D. Landau and E. M. Lifshitz, Statistical Physics (Pergamon Press, Oxford, 1980)] is applied to the quasi-particle model of quark-gluon plasma. Here, one starts from the expression for pressure and develop all thermodynamics. It is a general formalism and consistent with our earlier studies [V. M. Bannur, Phys. Lett. B647, 271 (2007)] based on Pathria's formalism [following R. K. Pathria, Statistical Mechanics (Butterworth-Heinemann, Oxford, 1977)]. In Pathria's formalism, one starts from the expression for energy density and develop thermodynamics. Both the formalisms are consistent with thermodynamics and statistical mechanics. Under certain conditions, which are wrongly called thermodynamic consistent relation, we recover other formalism of quasi-particle system, like in M. I. Gorenstein and S. N. Yang, Phys. Rev. D52, 5206 (1995), widely studied in quark-gluon plasma.
Projected quasiparticle theory for molecular electronic structure
NASA Astrophysics Data System (ADS)
Scuseria, Gustavo E.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Samanta, Kousik; Ellis, Jason K.
2011-09-01
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately broken and restored in a self-consistent variation-after-projection approach. We show that the resulting method yields a comprehensive black-box treatment of static correlations with effective one-electron (mean-field) computational cost. The ensuing wave function is of multireference character and permeates the entire Hilbert space of the problem. The energy expression is different from regular HFB theory but remains a functional of an independent quasiparticle density matrix. All reduced density matrices are expressible as an integration of transition density matrices over a gauge grid. We present several proof-of-principle examples demonstrating the compelling power of projected quasiparticle theory for quantum chemistry.
Ab initio quasiparticle bandstructure of ABA and ABC-stacked graphene trilayers
NASA Astrophysics Data System (ADS)
Menezes, Marcos; Capaz, Rodrigo; Louie, Steven
2013-03-01
We obtain the quasiparticle band structure of ABA and ABC-stacked graphene trilayers through ab initio density functional theory (DFT) and many-body quasiparticle calculations within the GW approximation. To interpret our results, we fit the DFT and GW π bands to a low energy tight-binding model, which is found to reproduce very well the observed features near the K point. The values of the extracted hopping parameters are reported and compared with available theoretical and experimental data. For both stackings, the quasiparticle corrections lead to a renormalization of the Fermi velocity, an effect also observed in previous calculations on monolayer graphene. They also increase the separation between the higher energy bands, which is proportional to the nearest neighbor interlayer hopping parameter γ1. Both features are brought to closer agreement with experiment through the quasiparticle corrections. Finally, other effects, such as trigonal warping, electron-hole assymetry and energy gaps are discussed in terms of the associated parameters. This work was supported by the Brazilian funding agencies: CAPES, CNPq, FAPERJ and INCT-Nanomateriais de Carbono. It was also supported by NSF grant No. DMR10-1006184 and U.S. DOE under Contract No. DE-AC02-05CH11231.
Electron Bubbles in Superfluid (3) 3 He-A: Exploring the Quasiparticle-Ion Interaction
NASA Astrophysics Data System (ADS)
Shevtsov, Oleksii; Sauls, J. A.
2017-06-01
When an electron is forced into liquid ^3He, it forms an "electron bubble", a heavy ion with radius, R˜eq 1.5 nm, and mass, M˜eq 100 m_3, where m_3 is the mass of a ^3He atom. These negative ions have proven to be powerful local probes of the physical properties of the host quantum fluid, especially the excitation spectra of the superfluid phases. We recently developed a theory for Bogoliubov quasiparticles scattering off electron bubbles embedded in a chiral superfluid that provides a detailed understanding of the spectrum of Weyl Fermions bound to the negative ion, as well as a theory for the forces on moving electron bubbles in superfluid ^3He-A (Shevtsov and Sauls in Phys Rev B 94:064511, 2016). This theory is shown to provide quantitative agreement with measurements reported by the RIKEN group (Ikegami et al. in Science 341(6141):59, 2013) for the drag force and anomalous Hall effect of moving electron bubbles in superfluid ^3He-A. In this report, we discuss the sensitivity of the forces on the moving ion to the effective interaction between normal-state quasiparticles and the ion. We consider models for the quasiparticle-ion (QP-ion) interaction, including the hard-sphere potential, constrained random-phase-shifts, and interactions with short-range repulsion and intermediate-range attraction. Our results show that the transverse force responsible for the anomalous Hall effect is particularly sensitive to the structure of the QP-ion potential and that strong short-range repulsion, captured by the hard-sphere potential, provides an accurate model for computing the forces acting on the moving electron bubble in superfluid 3He-A.
Transport Properties of Metallic Ruthenates: A DFT +DMFT Investigation
NASA Astrophysics Data System (ADS)
Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel
2016-06-01
We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr2RuO4 , Sr3 Ru2 O7 , SrRuO3 , and CaRuO3 , within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles." We explain why the single layered compound Sr2 RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.
Interplay of quasiparticle-vibration coupling and pairing correlations on β-decay half-lives
NASA Astrophysics Data System (ADS)
Niu, Y. F.; Niu, Z. M.; Colò, G.; Vigezzi, E.
2018-05-01
The nuclear β-decay half-lives of Ni and Sn isotopes, around the closed shell nuclei 78Ni and 132Sn, are investigated by computing the distribution of the Gamow-Teller strength using the Quasiparticle Random Phase Approximation (QRPA) with quasiparticle-vibration coupling (QPVC), based on ground-state properties obtained by Hartree-Fock-Bogoliubov (HFB) calculations. We employ the effective interaction SkM* and a zero-range effective pairing force. The half-lives are strongly reduced by including the QPVC. We study in detail the effects of isovector (IV) and isoscalar (IS) pairing. Increasing the IV strength tends to increase the lifetime for nuclei in the proximity of, but lighter than, the closed-shell ones in QRPA calculations, while the effect is significantly reduced by taking into account the QPVC. On the contrary, the IS pairing mainly plays a role for nuclei after the shell closure. Increasing its strength decreases the half-lives, and the effect at QRPA and QRPA+QPVC level is comparable. The effect of IS pairing is particularly pronounced in the case of the Sn isotopes, where it turns out to be instrumental to obtain good agreement with experimental data.
Coherence factors in a high-tc cuprate probed by quasi-particle scattering off vortices.
Hanaguri, T; Kohsaka, Y; Ono, M; Maltseva, M; Coleman, P; Yamada, I; Azuma, M; Takano, M; Ohishi, K; Takagi, H
2009-02-13
When electrons pair in a superconductor, quasi-particles develop an acute sensitivity to different types of scattering potential that is described by the appearance of coherence factors in the scattering amplitudes. Although the effects of coherence factors are well established in isotropic superconductors, they are much harder to detect in their anisotropic counterparts, such as high-superconducting-transition-temperature cuprates. We demonstrate an approach that highlights the momentum-dependent coherence factors in Ca2-xNaxCuO2Cl2. We used Fourier-transform scanning tunneling spectroscopy to reveal a magnetic-field dependence in quasi-particle scattering interference patterns that is sensitive to the sign of the anisotropic gap. This result is associated with the d-wave coherence factors and quasi-particle scattering off vortices. Our technique thus provides insights into the nature of electron pairing as well as quasi-particle scattering processes in unconventional superconductors.
Spectral properties from Matsubara Green's function approach: Application to molecules
NASA Astrophysics Data System (ADS)
Schüler, M.; Pavlyukh, Y.
2018-03-01
We present results for many-body perturbation theory for the one-body Green's function at finite temperatures using the Matsubara formalism. Our method relies on the accurate representation of the single-particle states in standard Gaussian basis sets, allowing to efficiently compute, among other observables, quasiparticle energies and Dyson orbitals of atoms and molecules. In particular, we challenge the second-order treatment of the Coulomb interaction by benchmarking its accuracy for a well-established test set of small molecules, which includes also systems where the usual Hartree-Fock treatment encounters difficulties. We discuss different schemes how to extract quasiparticle properties and assess their range of applicability. With an accurate solution and compact representation, our method is an ideal starting point to study electron dynamics in time-resolved experiments by the propagation of the Kadanoff-Baym equations.
Quasiparticle spin resonance and coherence in superconducting aluminium
NASA Astrophysics Data System (ADS)
Quay, C. H. L.; Weideneder, M.; Chiffaudel, Y.; Strunk, C.; Aprili, M.
2015-10-01
Conventional superconductors were long thought to be spin inert; however, there is now increasing interest in both (the manipulation of) the internal spin structure of the ground-state condensate, as well as recently observed long-lived, spin-polarized excitations (quasiparticles). We demonstrate spin resonance in the quasiparticle population of a mesoscopic superconductor (aluminium) using novel on-chip microwave detection techniques. The spin decoherence time obtained (~100 ps), and its dependence on the sample thickness are consistent with Elliott-Yafet spin-orbit scattering as the main decoherence mechanism. The striking divergence between the spin coherence time and the previously measured spin imbalance relaxation time (~10 ns) suggests that the latter is limited instead by inelastic processes. This work stakes out new ground for the nascent field of spin-based electronics with superconductors or superconducting spintronics.
Geometrical Description of fractional quantum Hall quasiparticles
NASA Astrophysics Data System (ADS)
Park, Yeje; Yang, Bo; Haldane, F. D. M.
2012-02-01
We examine a description of fractional quantum Hall quasiparticles and quasiholes suggested by a recent geometrical approach (F. D. M. Haldane, Phys. Rev. Lett. 108, 116801 (2011)) to FQH systems, where the local excess electric charge density in the incompressible state is given by a topologically-quantized ``guiding-center spin'' times the Gaussian curvature of a ``guiding-center metric tensor'' that characterizes the local shape of the correlation hole around electrons in the fluid. We use a phenomenological energy function with two ingredients: the shear distortion energy of area-preserving distortions of the fluid, and a local (short-range) approximation to the Coulomb energy of the fluctuation of charge density associated with the Gaussian curvature. Quasiparticles and quasiholes of the 1/3 Laughlin state are modeled as ``punctures'' in the incompressible fluid which then relax by geometric distortion which generates Gaussian curvature, giving rise to the charge-density profile around the topological excitation.
Tunneling spectroscopy of quasiparticle bound states in a spinful Josephson junction.
Chang, W; Manucharyan, V E; Jespersen, T S; Nygård, J; Marcus, C M
2013-05-24
The spectrum of a segment of InAs nanowire, confined between two superconducting leads, was measured as function of gate voltage and superconducting phase difference using a third normal-metal tunnel probe. Subgap resonances for odd electron occupancy-interpreted as bound states involving a confined electron and a quasiparticle from the superconducting leads, reminiscent of Yu-Shiba-Rusinov states-evolve into Kondo-related resonances at higher magnetic fields. An additional zero-bias peak of unknown origin is observed to coexist with the quasiparticle bound states.
Thermal diffusivity and chaos in metals without quasiparticles
NASA Astrophysics Data System (ADS)
Blake, Mike; Davison, Richard A.; Sachdev, Subir
2017-11-01
We study the thermal diffusivity DT in models of metals without quasiparticle excitations ("strange metals"). The many-body quantum chaos and transport properties of such metals can be efficiently described by a holographic representation in a gravitational theory in an emergent curved spacetime with an additional spatial dimension. We find that at generic infrared fixed points DT is always related to parameters characterizing many-body quantum chaos: the butterfly velocity vB and Lyapunov time τL through DT˜vB2τL. The relationship holds independently of the charge density, periodic potential strength, or magnetic field at the fixed point. The generality of this result follows from the observation that the thermal conductivity of strange metals depends only on the metric near the horizon of a black hole in the emergent spacetime and is otherwise insensitive to the profile of any matter fields.
Quasiparticle spin resonance and coherence in superconducting aluminium.
Quay, C H L; Weideneder, M; Chiffaudel, Y; Strunk, C; Aprili, M
2015-10-26
Conventional superconductors were long thought to be spin inert; however, there is now increasing interest in both (the manipulation of) the internal spin structure of the ground-state condensate, as well as recently observed long-lived, spin-polarized excitations (quasiparticles). We demonstrate spin resonance in the quasiparticle population of a mesoscopic superconductor (aluminium) using novel on-chip microwave detection techniques. The spin decoherence time obtained (∼100 ps), and its dependence on the sample thickness are consistent with Elliott-Yafet spin-orbit scattering as the main decoherence mechanism. The striking divergence between the spin coherence time and the previously measured spin imbalance relaxation time (∼10 ns) suggests that the latter is limited instead by inelastic processes. This work stakes out new ground for the nascent field of spin-based electronics with superconductors or superconducting spintronics.
Quasiparticle spin resonance and coherence in superconducting aluminium
Quay, C. H. L.; Weideneder, M.; Chiffaudel, Y.; Strunk, C.; Aprili, M.
2015-01-01
Conventional superconductors were long thought to be spin inert; however, there is now increasing interest in both (the manipulation of) the internal spin structure of the ground-state condensate, as well as recently observed long-lived, spin-polarized excitations (quasiparticles). We demonstrate spin resonance in the quasiparticle population of a mesoscopic superconductor (aluminium) using novel on-chip microwave detection techniques. The spin decoherence time obtained (∼100 ps), and its dependence on the sample thickness are consistent with Elliott–Yafet spin–orbit scattering as the main decoherence mechanism. The striking divergence between the spin coherence time and the previously measured spin imbalance relaxation time (∼10 ns) suggests that the latter is limited instead by inelastic processes. This work stakes out new ground for the nascent field of spin-based electronics with superconductors or superconducting spintronics. PMID:26497744
Dakovski, Georgi L.; Durakiewicz, Tomasz; Zhu, Jian-Xin; ...
2015-10-12
A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES) has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES) holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy which significantly limits the accessible momentum space. Using 20.15eV, 12 fs pulses we show for the first time the evolution of quasiparticles in the antinodal region of Bi 2Sr 2CaCu 2Omore » 8+δ and demonstrate that nonmonotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in severe contrast to the monotonic relaxation in the nodal and off-nodal regions.« less
Transport Properties of Metallic Ruthenates: A DFT + DMFT Investigation
Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel
2016-06-20
We present a systematical theoretical study on the transport properties of an archetypal family of Hund’s metals, Sr 2RuO 4, Sr 3Ru2O 7, SrRuO 3, and CaRuO 3, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund’s metals fall into the scenario of “resilient quasiparticles.” We explain why the single layered compound Sr 2RuO 4 has amore » relative weak correlation with respect to its siblings, which corroborates its good metallicity.« less
Quasiparticle and excitonic gaps of one-dimensional carbon chains.
Mostaani, E; Monserrat, B; Drummond, N D; Lambert, C J
2016-06-01
We report diffusion quantum Monte Carlo (DMC) calculations of the quasiparticle and excitonic gaps of hydrogen-terminated oligoynes and extended polyyne. The electronic gaps are found to be very sensitive to the atomic structure in these systems. We have therefore optimised the geometry of polyyne by directly minimising the DMC energy with respect to the lattice constant and the Peierls-induced carbon-carbon bond-length alternation. We find the bond-length alternation of polyyne to be 0.136(2) Å and the excitonic and quasiparticle gaps to be 3.30(7) and 3.4(1) eV, respectively. The DMC zone-centre longitudinal optical phonon frequency of polyyne is 2084(5) cm(-1), which is consistent with Raman spectroscopic measurements for large oligoynes.
Anisotropic breakdown of Fermi liquid quasiparticle excitations in overdoped La₂-xSrxCuO₄.
Chang, J; Månsson, M; Pailhès, S; Claesson, T; Lipscombe, O J; Hayden, S M; Patthey, L; Tjernberg, O; Mesot, J
2013-01-01
High-temperature superconductivity emerges from an un-conventional metallic state. This has stimulated strong efforts to understand exactly how Fermi liquids breakdown and evolve into an un-conventional metal. A fundamental question is how Fermi liquid quasiparticle excitations break down in momentum space. Here we show, using angle-resolved photoemission spectroscopy, that the Fermi liquid quasiparticle excitations of the overdoped superconducting cuprate La1.77Sr0.23CuO4 is highly anisotropic in momentum space. The quasiparticle scattering and residue behave differently along the Fermi surface and hence the Kadowaki-Wood's relation is not obeyed. This kind of Fermi liquid breakdown may apply to a wide range of strongly correlated metal systems where spin fluctuations are present.
Quasiparticle Approach to Molecules Interacting with Quantum Solvents.
Lemeshko, Mikhail
2017-03-03
Understanding the behavior of molecules interacting with superfluid helium represents a formidable challenge and, in general, requires approaches relying on large-scale numerical simulations. Here, we demonstrate that experimental data collected over the last 20 years provide evidence that molecules immersed in superfluid helium form recently predicted angulon quasiparticles [Phys. Rev. Lett. 114, 203001 (2015)PRLTAO0031-900710.1103/PhysRevLett.114.203001]. Most important, casting the many-body problem in terms of angulons amounts to a drastic simplification and yields effective molecular moments of inertia as straightforward analytic solutions of a simple microscopic Hamiltonian. The outcome of the angulon theory is in good agreement with experiment for a broad range of molecular impurities, from heavy to medium-mass to light species. These results pave the way to understanding molecular rotation in liquid and crystalline phases in terms of the angulon quasiparticle.
Quasiparticle interference mapping of ZrSiS
NASA Astrophysics Data System (ADS)
Lodge, Michael; Hosen, Md Mofazzle; Neupane, Madhab; Ishigami, Masa; Chang, Guoqing; Singh, Bahadur; Lin, Hsin; Weber, Bent; Hellerstedt, Jack; Edmonds, Mark; Fuhrer, Michael; Kaczorowski, Dariusz
The emergent class of 3D Dirac semimetals presents intriguing new systems in which to study the rich physics of the robust, topologically-protected quasiparticles hosted within their bulk. For example, in nodal-line Dirac semimetals, the conductance and valence bands meet along a closed loop in momentum space and disperse linearly in the vicinity of the resultant line node. This results in novel scattering phenomena, owing to the unique Fermi surfaces and scattering selection rules of these systems. Here, we have performed scanning tunneling microscopy and spectroscopy of ZrSiS, one such nodal-line Dirac semimetal,at 4.5 K. We have visualized quasiparticle scattering using differential conductance mapping. In conjunction with numerical modeling, we identify at least six allowed scattering vectors in the material, which gives insight into the scattering selection rules of these novel materials. This work is based upon research supported by the National Science Foundation under Grant No. 0955625 (MSL and MI) and Fellowship No. 1614303 (MSL), and by the Australian Research Council under DECRA Fellowship No. DE160101334 (BW).
Spin-orbit scattering visualized in quasiparticle interference
NASA Astrophysics Data System (ADS)
Kohsaka, Y.; Machida, T.; Iwaya, K.; Kanou, M.; Hanaguri, T.; Sasagawa, T.
2017-03-01
In the presence of spin-orbit coupling, electron scattering off impurities depends on both spin and orbital angular momentum of electrons—spin-orbit scattering. Although some transport properties are subject to spin-orbit scattering, experimental techniques directly accessible to this effect are limited. Here we show that a signature of spin-orbit scattering manifests itself in quasiparticle interference (QPI) imaged by spectroscopic-imaging scanning tunneling microscopy. The experimental data of a polar semiconductor BiTeI are well reproduced by numerical simulations with the T -matrix formalism that include not only scalar scattering normally adopted but also spin-orbit scattering stronger than scalar scattering. To accelerate the simulations, we extend the standard efficient method of QPI calculation for momentum-independent scattering to be applicable even for spin-orbit scattering. We further identify a selection rule that makes spin-orbit scattering visible in the QPI pattern. These results demonstrate that spin-orbit scattering can exert predominant influence on QPI patterns and thus suggest that QPI measurement is available to detect spin-orbit scattering.
(3+1)D Quasiparticle Anisotropic Hydrodynamics for Ultrarelativistic Heavy-Ion Collisions.
Alqahtani, Mubarak; Nopoush, Mohammad; Ryblewski, Radoslaw; Strickland, Michael
2017-07-28
We present the first comparisons of experimental data with phenomenological results from (3+1)D quasiparticle anisotropic hydrodynamics (aHydroQP). We compare particle spectra, average transverse momentum, and elliptic flow. The dynamical equations used for the hydrodynamic stage utilize aHydroQP, which naturally includes both shear and bulk viscous effects. The (3+1)D aHydroQP evolution obtained is self-consistently converted to hadrons using anisotropic Cooper-Frye freeze-out. Hadron production and decays are modeled using a customized version of therminator 2. In this first study, we utilized smooth Glauber-type initial conditions and a single effective freeze-out temperature T_{FO}=130 MeV with all hadronic species in full chemical equilibrium. With this rather simple setup, we find a very good description of many heavy-ion observables.
Parameswaran, S A; Kivelson, S A; Shankar, R; Sondhi, S L; Spivak, B Z
2012-12-07
We study the structure of Bogoliubov quasiparticles, bogolons, the fermionic excitations of paired superfluids that arise from fermion (BCS) pairing, including neutral superfluids, superconductors, and paired quantum Hall states. The naive construction of a stationary quasiparticle in which the deformation of the pair field is neglected leads to a contradiction: it carries a net electrical current even though it does not move. However, treating the pair field self-consistently resolves this problem: in a neutral superfluid, a dipolar current pattern is associated with the quasiparticle for which the total current vanishes. When Maxwell electrodynamics is included, as appropriate to a superconductor, this pattern is confined over a penetration depth. For paired quantum Hall states of composite fermions, the Maxwell term is replaced by a Chern-Simons term, which leads to a dipolar charge distribution and consequently to a dipolar current pattern.
NASA Astrophysics Data System (ADS)
Kumar, Sanjay; Ajay
2015-01-01
Stacking dependent quasi-particle spectrum and density of states (DOS) in trilayer (ABC-, ABA- and AAA-stacked) graphene are analyzed using mean-field Green's function equations of motion method. Interlayer coupling (t1) is found to be responsible for the splitting of quasi-particle peaks in each stacking order. Coulomb interaction suppresses the trilayer splitting and generates a finite gap at Fermi level in ABC- while a tiny gap in ABA-stacked trilayer graphene. Influence of t⊥ is prominent for AAA-stacking as compared to ABC- and ABA-stacking orders. The theoretically obtained quasi-particle energies and DOS has been viewed in terms of recent angle resolved photoemission spectroscopic (ARPES) and scanning tunneling microscopic (STM) data available on these systems.
Rapid enhancement of nodal quasiparticle mass with heavily underdoping in Bi2212
NASA Astrophysics Data System (ADS)
Anzai, Hiroaki; Arita, Masashi; Namatame, Hirofumi; Taniguchi, Masaki; Ishikado, Motoyuki; Fujita, Kazuhiro; Ishida, Shigeyuki; Uchida, Shin-ichi; Ino, Akihiro
2018-05-01
We report substantial advance of our low-energy angle-resolved photoemission study of nodal quasiparticles in Bi2Sr2CaCu2O8+δ. The new data cover the samples from underdoped down to heavily underdoped levels. We also present the nodal Fermi velocities that determined by using an excitation-photon energy of hν = 7.0 eV over a wide doping range. The consistency between the results with hν = 8.1 and 7.0 eV allows us to rule out the effect of photoemission matrix elements. In comparison with the data previously reported, the nodal effective mass increases by a factor of ∼ 1.5 in going from optimally doped to heavily underdoped levels. We find a rapid enhancement of the nodal quasiparticle mass at low doping levels near the superconductor-to-insulator transition. The effective coupling spectrum, λ (ω) , is extracted directly from the energy derivatives of the quasiparticle dispersion and scattering rate, as a causal function of the mass enhancement factor. A steplike increase in Reλ (ω) around ∼ 65 meV is demonstrated clearly by the Kramers-Kronig transform of Imλ (ω) . To extract the low-energy renormalization effect, we calculated a simple model for the electron-boson interaction. This model reveals that the contribution of the renormalization at | ω | ≤ 15 meV to the quasiparticle mass is larger than that around 65 meV in underdoped samples.
Colossal photon bunching in quasiparticle-mediated nanodiamond cathodoluminescence
NASA Astrophysics Data System (ADS)
Feldman, Matthew A.; Dumitrescu, Eugene F.; Bridges, Denzel; Chisholm, Matthew F.; Davidson, Roderick B.; Evans, Philip G.; Hachtel, Jordan A.; Hu, Anming; Pooser, Raphael C.; Haglund, Richard F.; Lawrie, Benjamin J.
2018-02-01
Nanoscale control over the second-order photon correlation function g(2 )(τ ) is critical to emerging research in nonlinear nanophotonics and integrated quantum information science. Here we report on quasiparticle control of photon bunching with g(2 )(0 ) >45 in the cathodoluminescence of nanodiamond nitrogen vacancy (NV0) centers excited by a converged electron beam in an aberration-corrected scanning transmission electron microscope. Plasmon-mediated NV0 cathodoluminescence exhibits a 16-fold increase in luminescence intensity correlated with a threefold reduction in photon bunching compared with that of uncoupled NV0 centers. This effect is ascribed to the excitation of single temporally uncorrelated NV0 centers by single surface plasmon polaritons. Spectrally resolved Hanbury Brown-Twiss interferometry is employed to demonstrate that the bunching is mediated by the NV0 phonon sidebands, while no observable bunching is detected at the zero-phonon line. The data are consistent with fast phonon-mediated recombination dynamics, a conclusion substantiated by agreement between Bayesian regression and Monte Carlo models of superthermal NV0 luminescence.
Quasiparticle scattering spectroscopy (QPS) of Kondo lattice heavy fermions
NASA Astrophysics Data System (ADS)
Greene, L. H.; Narasiwodeyar, S. M.; Banerjee, P.; Park, W. K.; Bauer, E. D.; Tobash, P. H.; Baumbach, R. E.; Ronning, F.; Sarrao, J. L.; Thompson, J. D.
2013-03-01
Point-contact spectroscopy (PCS) is a powerful technique to study electronic properties via measurements of non-linear current-voltage characteristic across a ballistic junction. It has been frequently adopted to investigate novel and/or unconventional superconductors by detecting the energy-dependent Andreev scattering. PCS of non-superconducting materials has been much rarely reported. From our recent studies on heavy fermions, we have frequently observed strongly bias-dependent and asymmetric conductance behaviors. Based on a Fano resonance model in a Kondo lattice, we attribute them to energy-dependent quasiparticle scattering off hybridized renormalized electronic states, dubbing it QPS. We will present our QPS results on several heavy-fermion systems and discuss QPS as a novel technique to probe the bulk spectroscopic properties of the electronic structure. For instance, it reveals that the hybridization gap in URu2Si2 opens well above the hidden order transition. The work at UIUC is supported by the U.S. DOE under Award No. DE-FG02-07ER46453 and the NSF DMR 12-06766, and the work at LANL is carried out under the auspices of the U.S. DOE, Office of Science.
Scattering of quasiparticles in $sup 3$He--$sup 4$He mixtures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bagchi, A.; Ruvalds, J.
Considering the elementary excitation spectrum of /sup 3/He -/sup 4/He mixtures to be of the form proposed by Landau and Pomeranchuk, the scattering cross section for roton and /sup 3/He quasiparticle collisions was calculated taking final-state interactions into account. The theory demonstrates the importance of final-state interactions in renormalizing the roton energy and lifetime. Previous theories based on the Porn approximation are shown to give unreliable results for the change of the energy and lifetime for rotons in dilute /sup 3/He --/sup 4/He mixtures owing to roton-/sup 3/He scattering. Upper bound s on the changes in the energy and lifetimemore » of a roton as a function of the roton- /sup 3/He coupling strength were obtained using a simplified model for the coupling. These bounds give an insignificant change of the roton energy with the iHe eoncentration and thus explain recent neutron-seattering and Raman data on the mixtures. Effects of level repulsion between rotons and the /sup 3/He quasiparticle-hole continuum are calculated, and estimated to be small on the basis of recent Raman data, However, decay of a roton into a iHe quasiparticle- hole pair may live rise to an interesting concentration dependence of the roton linewidth. Further experimental studies of the mixtures are suggested, which may check the detailed predictions of the theory and provide insight into the momentum dependence of the coupling parameters. The present analysis represents an essential link between microscopic theories of the quasiparticle coupling and related experiments on dilute /sup 3/He --/sup 4/He mixtures. (auth)« less
Krishtopenko, S S; Gavrilenko, V I; Goiran, M
2012-04-04
Using the 'screened' Hartree-Fock approximation based on the eight-band k·p Hamiltonian, we have extended our previous work (Krishtopenko et al 2011 J. Phys.: Condens. Matter 23 385601) on exchange enhancement of the g-factor in narrow-gap quantum well heterostructures by calculating the exchange renormalization of quasiparticle energies, the density of states at the Fermi level and the quasiparticle g-factor for different Landau levels overlapping. We demonstrate that exchange interaction yields more pronounced Zeeman splitting of the density of states at the Fermi level and leads to the appearance of peak-shaped features in the dependence of the Landau level energies on the magnetic field at integer filling factors. We also find that the quasiparticle g-factor does not reach the maximum value at odd filling factors in the presence of large overlapping of spin-split Landau levels. We advance an argument that the behavior of the quasiparticle g-factor in weak magnetic fields is defined by a random potential of impurities in narrow-gap heterostructures. © 2012 IOP Publishing Ltd
Quasiparticle energy bands and Fermi surfaces of monolayer NbSe2
NASA Astrophysics Data System (ADS)
Kim, Sejoong; Son, Young-Woo
2017-10-01
A quasiparticle band structure of a single layer 2 H -NbSe2 is reported by using first-principles G W calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape when comparing those using conventional mean-field calculation methods. Owing to a broken inversion symmetry in the trigonal prismatic single layer structure, the spin-orbit interaction is included and its impact on the Fermi surface and quasiparticle energy bands are discussed. We also calculate the doping dependent static susceptibilities from the band structures obtained by the mean-field calculation as well as G W calculation with and without spin-orbit interactions. A complete tight-binding model is constructed within the three-band third nearest neighbor hoppings and is shown to reproduce our G W quasiparticle energy bands and Fermi surface very well. Considering variations of the Fermi surface shapes depending on self-energy corrections and spin-orbit interactions, we discuss the formations of charge density wave (CDW) with different dielectric environments and their implications on recent controversial experimental results on CDW transition temperatures.
Atomic-Scale Visualization of Quasiparticle Interference on a Type-II Weyl Semimetal Surface.
Zheng, Hao; Bian, Guang; Chang, Guoqing; Lu, Hong; Xu, Su-Yang; Wang, Guangqiang; Chang, Tay-Rong; Zhang, Songtian; Belopolski, Ilya; Alidoust, Nasser; Sanchez, Daniel S; Song, Fengqi; Jeng, Horng-Tay; Yao, Nan; Bansil, Arun; Jia, Shuang; Lin, Hsin; Hasan, M Zahid
2016-12-23
We combine quasiparticle interference simulation (theory) and atomic resolution scanning tunneling spectromicroscopy (experiment) to visualize the interference patterns on a type-II Weyl semimetal Mo_{x}W_{1-x}Te_{2} for the first time. Our simulation based on first-principles band topology theoretically reveals the surface electron scattering behavior. We identify the topological Fermi arc states and reveal the scattering properties of the surface states in Mo_{0.66}W_{0.34}Te_{2}. In addition, our result reveals an experimental signature of the topology via the interconnectivity of bulk and surface states, which is essential for understanding the unusual nature of this material.
Large quasiparticle thermal Hall conductivity in the superconductor Ba1-xKxFe2As2
NASA Astrophysics Data System (ADS)
Checkelsky, Joseph; Li, Lu; Chen, G. F.; Luo, J. L.; Wang, N. L.; Ong, N. P.
2009-03-01
We have measured the thermal conductivity κxx and thermal Hall conductivity κxy in single-crystal Ba1-xKxFe2As2. Below the superconducting transition temperature Tc (˜ 30 K), we observe a large peak in the weak-field κxy . A corresponding peak in the zero-field thermal conductivity κxx is also observed. Together, these imply the existence of a large population of hole-like quasiparticles below Tc . In magnetic fields H approaching 35 T, the peaks in κxx are strongly suppressed. A fit of the κxx vs. H curves shows that the data are consistent with the scattering of long-lived quasiparticles by vortices. Using these fits, we have extracted estimates of the quasiparticle mean-free-path, and separated the zero-field electronic and phononic terms κe and κph, respectively. We discuss the origin of the large quasiparticle population in terms a strongly anisotropic gap parameter or a gap with nodes.
NASA Astrophysics Data System (ADS)
Choi, Hyoung Joon; Cohen, Marvin L.; Louie, Steven G.
2003-03-01
The anisotropic Eliashberg formalism, employing results from the ab initio pseudopotential density functional calculations, is applied to study the superconducting properties of MgB 2. It is shown that the relatively high transition temperature of MgB 2 originates from strong electron-phonon coupling of the hole states in the boron σ-bonds although the coupling strength averaged over the Fermi surface is moderate, and the reduction of the isotope effect arises from the large anharmonicity of the relevant phonons. The superconducting energy gap is nodeless but its value varies strongly on different pieces of the Fermi surface. The gap values Δ( k) cluster into two groups at low temperature, a small value of ∼2 meV and a large value of ∼7 meV, resulting in two thresholds in the quasiparticle density of states and an increase in the specific heat at low temperature due to quasiparticle excitations over the small gap. All of these results are in good agreement with corresponding experiments and support the view that MgB 2 is a phonon-mediated multiple-gap superconductor.
The rate of quasiparticle recombination probes the onset of coherence in cuprate superconductors.
Hinton, J P; Thewalt, E; Alpichshev, Z; Mahmood, F; Koralek, J D; Chan, M K; Veit, M J; Dorow, C J; Barišić, N; Kemper, A F; Bonn, D A; Hardy, W N; Liang, Ruixing; Gedik, N; Greven, M; Lanzara, A; Orenstein, J
2016-04-13
In the underdoped copper-oxides, high-temperature superconductivity condenses from a nonconventional metallic "pseudogap" phase that exhibits a variety of non-Fermi liquid properties. Recently, it has become clear that a charge density wave (CDW) phase exists within the pseudogap regime. This CDW coexists and competes with superconductivity (SC) below the transition temperature Tc, suggesting that these two orders are intimately related. Here we show that the condensation of the superfluid from this unconventional precursor is reflected in deviations from the predictions of BSC theory regarding the recombination rate of quasiparticles. We report a detailed investigation of the quasiparticle (QP) recombination lifetime, τqp, as a function of temperature and magnetic field in underdoped HgBa2CuO(4+δ) (Hg-1201) and YBa2Cu3O(6+x) (YBCO) single crystals by ultrafast time-resolved reflectivity. We find that τqp(T) exhibits a local maximum in a small temperature window near Tc that is prominent in underdoped samples with coexisting charge order and vanishes with application of a small magnetic field. We explain this unusual, non-BCS behavior by positing that Tc marks a transition from phase-fluctuating SC/CDW composite order above to a SC/CDW condensate below. Our results suggest that the superfluid in underdoped cuprates is a condensate of coherently-mixed particle-particle and particle-hole pairs.
The rate of quasiparticle recombination probes the onset of coherence in cuprate superconductors
Hinton, J. P.; Thewalt, E.; Alpichshev, Z.; Mahmood, F.; Koralek, J. D.; Chan, M. K.; Veit, M. J.; Dorow, C. J.; Barišić, N.; Kemper, A. F.; Bonn, D. A.; Hardy, W. N.; Liang, Ruixing; Gedik, N.; Greven, M.; Lanzara, A.; Orenstein, J.
2016-01-01
In the underdoped copper-oxides, high-temperature superconductivity condenses from a nonconventional metallic ”pseudogap” phase that exhibits a variety of non-Fermi liquid properties. Recently, it has become clear that a charge density wave (CDW) phase exists within the pseudogap regime. This CDW coexists and competes with superconductivity (SC) below the transition temperature Tc, suggesting that these two orders are intimately related. Here we show that the condensation of the superfluid from this unconventional precursor is reflected in deviations from the predictions of BSC theory regarding the recombination rate of quasiparticles. We report a detailed investigation of the quasiparticle (QP) recombination lifetime, τqp, as a function of temperature and magnetic field in underdoped HgBa2CuO4+δ (Hg-1201) and YBa2Cu3O6+x (YBCO) single crystals by ultrafast time-resolved reflectivity. We find that τqp(T ) exhibits a local maximum in a small temperature window near Tc that is prominent in underdoped samples with coexisting charge order and vanishes with application of a small magnetic field. We explain this unusual, non-BCS behavior by positing that Tc marks a transition from phase-fluctuating SC/CDW composite order above to a SC/CDW condensate below. Our results suggest that the superfluid in underdoped cuprates is a condensate of coherently-mixed particle-particle and particle-hole pairs. PMID:27071712
Convergence of quasiparticle self-consistent G W calculations of transition-metal monoxides
NASA Astrophysics Data System (ADS)
Das, Suvadip; Coulter, John E.; Manousakis, Efstratios
2015-03-01
Finding an accurate ab initio approach for calculating the electronic properties of transition-metal oxides has been a problem for several decades. In this paper, we investigate the electronic structure of the transition-metal monoxides MnO, CoO, and NiO in their undistorted rocksalt structure within a fully iterated quasiparticle self-consistent G W (QPsc G W ) scheme. We study the convergence of the QPsc G W method, i.e., how the quasiparticle energy eigenvalues and wave functions converge as a function of the QPsc G W iterations, and we compare the converged outputs obtained from different starting wave functions. We find that the convergence is slow and that a one-shot G0W0 calculation does not significantly improve the initial eigenvalues and states. It is important to notice that in some cases the "path" to convergence may go through energy band reordering which cannot be captured by the simple initial unperturbed Hamiltonian. When we reach a fully iterated solution, the converged density of states, band gaps, and magnetic moments of these oxides are found to be only weakly dependent on the choice of the starting wave functions and in reasonably good agreement with the experiment. Finally, this approach provides a clear picture of the interplay between the various orbitals near the Fermi level of these simple transition-metal monoxides. The results of these accurate ab initio calculations can provide input for models aiming at describing the low-energy physics in these materials.
Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions.
Dixit, H; Lamoen, D; Partoens, B
2013-01-23
CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.
Spin-polaron nature of fermion quasiparticles and their d-wave pairing in cuprate superconductors
NASA Astrophysics Data System (ADS)
Val'kov, V. V.; Dzebisashvili, D. M.; Barabanov, A. F.
2016-11-01
In the framework of the spin-fermion model, to which the Emery model is reduced in the limit of strong electron correlations, it is shown that the fermion quasiparticles in cuprate high- T c superconductors (HTSCs) arise under a strong effect of exchange coupling between oxygen holes and spins of copper ions. This underlies the spin-polaron nature of fermion quasiparticles in cuprate HTSCs. The Cooper instability with respect to the d-wave symmetry of the order parameter is revealed for an ensemble of such quasiparticles. For the normal phase, the spin-polaron concept allows us to reproduce the fine details in the evolution of the Fermi surface with the changes in the doping level x observed in experiment for La2-xSrxCuO4. The calculated T-x phase diagram correlates well with the available experimental data for cuprate HTSCs.
NASA Astrophysics Data System (ADS)
Esmail, A. A.; Ferguson, A. J.; Lambert, N. J.
2017-12-01
We increase the isolation of a superconducting double dot from its environment by galvanically isolating it from any electrodes. We probe it using high frequency reflectometry techniques, find 2e-periodic behaviour, and characterise the energy structure of its charge states. By modelling the response of the device, we determine the time averaged probability that the device is poisoned by quasiparticles, and by comparing this with previous work, we conclude that quasiparticle exchange between the dots and the leads is an important relaxation mechanism.
NASA Astrophysics Data System (ADS)
Virtanen, P.; Vischi, F.; Strambini, E.; Carrega, M.; Giazotto, F.
2017-12-01
We discuss the quasiparticle entropy and heat capacity of a dirty superconductor/normal metal/superconductor junction. In the case of short junctions, the inverse proximity effect extending in the superconducting banks plays a crucial role in determining the thermodynamic quantities. In this case, commonly used approximations can violate thermodynamic relations between supercurrent and quasiparticle entropy. We provide analytical and numerical results as a function of different geometrical parameters. Quantitative estimates for the heat capacity can be relevant for the design of caloritronic devices or radiation sensor applications.
Quasiparticle pair creation in unstable superflow
NASA Astrophysics Data System (ADS)
Elser, Veit
1995-06-01
Landau's instability mechanism in superflow is considered with special attention given to the role of nonuniformity in the flow. Linear stability analysis applied to the first in a series of approximate microscopic equations for the superfluid reveals a growth rate for Landau's instability proportional to the shear in the flow. In a quasiparticle description, the shear acts as a source of particle pair creation. The observation of roton-pair creation in experiments with electron bubbles in helium is offered as evidence of this phenomenon.
The birth of a quasiparticle in silicon observed in time-frequency space.
Hase, Muneaki; Kitajima, Masahiro; Constantinescu, Anca Monia; Petek, Hrvoje
2003-11-06
The concept of quasiparticles in solid-state physics is an extremely powerful tool for describing complex many-body phenomena in terms of single-particle excitations. Introducing a simple particle, such as an electron, hole or phonon, deforms a many-body system through its interactions with other particles. In this way, the added particle is 'dressed' or 'renormalized' by a self-energy cloud that describes the response of the many-body system, so forming a new entity--the quasiparticle. Using ultrafast laser techniques, it is possible to impulsively generate bare particles and observe their subsequent dressing by the many-body interactions (that is, quasiparticle formation) on the time and energy scales governed by the Heisenberg uncertainty principle. Here we describe the coherent response of silicon to excitation with a 10-femtosecond (10(-14) s) laser pulse. The optical pulse interacts with the sample by way of the complex second-order nonlinear susceptibility to generate a force on the lattice driving coherent phonon excitation. Transforming the transient reflectivity signal into frequency-time space reveals interference effects leading to the coherent phonon generation and subsequent dressing of the phonon by electron-hole pair excitations.
The quasiparticle band structure of zincblende and rocksalt ZnO.
Dixit, H; Saniz, R; Lamoen, D; Partoens, B
2010-03-31
We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.
Li, Yuelin; Schaller, Richard D.; Zhu, Mengze; ...
2016-01-20
In correlated oxides the coupling of quasiparticles to other degrees of freedom such as spin and lattice plays critical roles in the emergence of symmetry-breaking quantum ordered states such as high temperature superconductivity. We report a strong lattice coupling of photon-induced quasiparticles in spin-orbital coupling Mott insulator Sr 2IrO 4 probed via optical excitation. Combining time-resolved x-ray diffraction and optical spectroscopy techniques, we reconstruct a spatiotemporal map of the diffusion of these quasiparticles. Lastly, due to the unique electronic configuration of the quasiparticles, the strong lattice correlation is unexpected but extends the similarity between Sr 2IrO 4 and cuprates tomore » a new dimension of electron-phonon coupling which persists under highly non-equilibrium conditions.« less
Quasiparticle Interference on Cubic Perovskite Oxide Surfaces.
Okada, Yoshinori; Shiau, Shiue-Yuan; Chang, Tay-Rong; Chang, Guoqing; Kobayashi, Masaki; Shimizu, Ryota; Jeng, Horng-Tay; Shiraki, Susumu; Kumigashira, Hiroshi; Bansil, Arun; Lin, Hsin; Hitosugi, Taro
2017-08-25
We report the observation of coherent surface states on cubic perovskite oxide SrVO_{3}(001) thin films through spectroscopic-imaging scanning tunneling microscopy. A direct link between the observed quasiparticle interference patterns and the formation of a d_{xy}-derived surface state is supported by first-principles calculations. We show that the apical oxygens on the topmost VO_{2} plane play a critical role in controlling the coherent surface state via modulating orbital state.
The rate of quasiparticle recombination probes the onset of coherence in cuprate superconductors
Hinton, J. P.; Thewalt, E.; Alpichshev, Z.; ...
2016-04-13
In the underdoped copper-oxides, high-temperature superconductivity condenses from a nonconventional metallic ”pseudogap” phase that exhibits a variety of non-Fermi liquid properties. Recently, it has become clear that a charge density wave (CDW) phase exists within the pseudogap regime. This CDW coexists and competes with superconductivity (SC) below the transition temperature T c, suggesting that these two orders are intimately related. Here we show that the condensation of the superfluid from this unconventional precursor is reflected in deviations from the predictions of BSC theory regarding the recombination rate of quasiparticles. We report a detailed investigation of the quasiparticle (QP) recombination lifetime,more » τ qp, as a function of temperature and magnetic field in underdoped HgBa 2CuO 4+δ (Hg-1201) and YBa 2Cu 3O 6+x (YBCO) single crystals by ultrafast time-resolved reflectivity. We find that τ qp(T) exhibits a local maximum in a small temperature window near T c that is prominent in underdoped samples with coexisting charge order and vanishes with application of a small magnetic field. We explain this unusual, non-BCS behavior by positing that T c marks a transition from phase-fluctuating SC/CDW composite order above to a SC/CDW condensate below. Lastly, our results suggest that the superfluid in underdoped cuprates is a condensate of coherently-mixed particle-particle and particle-hole pairs.« less
Large thermopower from dressed quasiparticles in the layered cobaltates and rhodates
Chen, Su-Di; He, Yu; Zong, Alfred; ...
2017-08-15
The origin of the large thermopower in Na x CoO 2 is complicated by correlation phenomena. To disentangle the effects from multiple interactions, we use angle-resolved photoemission to study K x RhO 2, an isostructural analogy of Na xCoO 2 with large thermopower and weak electron correlation. In using the experimentally measured electronic structure, we demonstrate that the thermopower in K xRhO 2 can be quantitatively explained within the quasiparticle framework after including an electron-phonon mass enhancement effect. Extending the analysis to the cobaltate, we find the doubling in thermopower is well accounted for by additional band renormalization frommore » electron correlation. Thus, the large thermopower emerges from the itinerant quasiparticles dressed by hierarchical electron-phonon and electron-electron interactions.« less
Zn-VI quasiparticle gaps and optical spectra from many-body calculations.
Riefer, A; Weber, N; Mund, J; Yakovlev, D R; Bayer, M; Schindlmayr, Arno; Meier, C; Schmidt, W G
2017-06-01
The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the [Formula: see text] (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn-VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe-Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.
Quasiparticle trapping and the density of states in superconducting proximity structures
NASA Astrophysics Data System (ADS)
Warburton, P. A.; Blamire, M. G.
1994-08-01
An experimental study of quasiparticle trapping in epitaxial and polycrystalline Ta films on epitaxial Nb is presented using three-terminal double tunnel junction devices. It is shown that polycrystalline Ta is a more effective trap than epitaxial Ta. The experimentally measured tunneling density of states is used to calculate the inelastic quasiparticle scattering rates in the two types of Ta using the standard theory of Kaplan et a. (1976).The agreement of this calculation with the experimental results shows that the tunneling density of states may be used to determine scattering rates in proximitized superconducting films whose thickness is greater than the coherence length. This result is important since no existing theory satisfactorily describes the density of states in such proximity structures, which are currently being developed for use in high-resolution particle spectrometers.
Translational Symmetry Breaking and Gapping of Heavy-Quasiparticle Pocket in URu2Si2
Yoshida, Rikiya; Tsubota, Koji; Ishiga, Toshihiko; Sunagawa, Masanori; Sonoyama, Jyunki; Aoki, Dai; Flouquet, Jacques; Wakita, Takanori; Muraoka, Yuji; Yokoya, Takayoshi
2013-01-01
URu2Si2 is a uranium compound that exhibits a so-called ‘hidden-order’ transition at ~17.5 K. However, the order parameter of this second-order transition as well as many of its microscopic properties remain unclarified despite considerable research. One of the key questions in this regard concerns the type of spontaneous symmetry breaking occurring at the transition; although rotational symmetry breaking has been detected, it is not clear whether another type of symmetry breaking also occurs. Another key question concerns the property of Fermi-surface gapping in the momentum space. Here we address these key questions by a momentum-dependent observation of electronic states at the transition employing ultrahigh-resolution three-dimensional angle-resolved photoemission spectroscopy. Our results provide compelling evidence of the spontaneous breaking of the lattice's translational symmetry and particle-hole asymmetric gapping of a heavy quasiparticle pocket at the transition. PMID:24084937
Dynamic properties of composite cemented clay.
Cai, Yuan-Qiang; Liang, Xu
2004-03-01
In this work, the dynamic properties of composite cemented clay under a wide range of strains were studied considering the effect of different mixing ratio and the change of confining pressures through dynamic triaxial test. A simple and practical method to estimate the dynamic elastic modulus and damping ratio is proposed in this paper and a related empirical normalized formula is also presented. The results provide useful guidelines for preliminary estimation of cement requirements to improve the dynamic properties of clays.
Charge of a quasiparticle in a superconductor
Ronen, Yuval; Cohen, Yonatan; Kang, Jung-Hyun; Haim, Arbel; Rieder, Maria-Theresa; Heiblum, Moty; Mahalu, Diana; Shtrikman, Hadas
2016-01-01
Nonlinear charge transport in superconductor–insulator–superconductor (SIS) Josephson junctions has a unique signature in the shuttled charge quantum between the two superconductors. In the zero-bias limit Cooper pairs, each with twice the electron charge, carry the Josephson current. An applied bias VSD leads to multiple Andreev reflections (MAR), which in the limit of weak tunneling probability should lead to integer multiples of the electron charge ne traversing the junction, with n integer larger than 2Δ/eVSD and Δ the superconducting order parameter. Exceptionally, just above the gap eVSD ≥ 2Δ, with Andreev reflections suppressed, one would expect the current to be carried by partitioned quasiparticles, each with energy-dependent charge, being a superposition of an electron and a hole. Using shot-noise measurements in an SIS junction induced in an InAs nanowire (with noise proportional to the partitioned charge), we first observed quantization of the partitioned charge q = e*/e=n, with n = 1–4, thus reaffirming the validity of our charge interpretation. Concentrating next on the bias region eVSD∼2Δ, we found a reproducible and clear dip in the extracted charge to q ∼0.6, which, after excluding other possibilities, we attribute to the partitioned quasiparticle charge. Such dip is supported by numerical simulations of our SIS structure. PMID:26831071
Charge of a quasiparticle in a superconductor.
Ronen, Yuval; Cohen, Yonatan; Kang, Jung-Hyun; Haim, Arbel; Rieder, Maria-Theresa; Heiblum, Moty; Mahalu, Diana; Shtrikman, Hadas
2016-02-16
Nonlinear charge transport in superconductor-insulator-superconductor (SIS) Josephson junctions has a unique signature in the shuttled charge quantum between the two superconductors. In the zero-bias limit Cooper pairs, each with twice the electron charge, carry the Josephson current. An applied bias VSD leads to multiple Andreev reflections (MAR), which in the limit of weak tunneling probability should lead to integer multiples of the electron charge ne traversing the junction, with n integer larger than 2Δ/eVSD and Δ the superconducting order parameter. Exceptionally, just above the gap eVSD ≥ 2Δ, with Andreev reflections suppressed, one would expect the current to be carried by partitioned quasiparticles, each with energy-dependent charge, being a superposition of an electron and a hole. Using shot-noise measurements in an SIS junction induced in an InAs nanowire (with noise proportional to the partitioned charge), we first observed quantization of the partitioned charge q = e*/e = n, with n = 1-4, thus reaffirming the validity of our charge interpretation. Concentrating next on the bias region eVSD ~ 2Δ, we found a reproducible and clear dip in the extracted charge to q ~ 0.6, which, after excluding other possibilities, we attribute to the partitioned quasiparticle charge. Such dip is supported by numerical simulations of our SIS structure.
Characterizing Featureless Mott Insulating State by Quasiparticle Interferences - A DMFT Prospect
NASA Astrophysics Data System (ADS)
Mukherjee, Shantanu; Lee, Wei-Cheng
In this talk we discuss the quasiparticle interferences (QPIs) of a Mott insulator using a T-matrix formalism implemented with the dynamical mean-field theory (T-DMFT). In the Mott insulating state, the DMFT predicts a singularity in the real part of electron self energy s (w) at low frequencies, which completely washes out the QPI at small bias voltage. However, the QPI patterns produced by the non-interacting Fermi surfaces can appear at a critical bias voltage in Mott insulating state. The existence of this non-zero critical bias voltage is a direct consequence of the singular behavior of Re[s (w)] /sim n/w with n behaving as the 'order parameter' of Mott insulating state. We propose that this reentry of non-interacting QPI patterns could serve as an experimental signature of Mott insulating state, and the 'order parameter' can be experimentally measured W.C.L acknowledges financial support from start up fund from Binghamton University.
Quasiparticle Representation of Coherent Nonlinear Optical Signals of Multiexcitons
NASA Astrophysics Data System (ADS)
Fingerhut, Benjamin; Bennet, Kochise; Roslyak, Oleksiy; Mukamel, Shaul
2013-03-01
Elementary excitations of many-Fermion systems can be described within the quasiparticle approach which is widely used in the calculation of transport and optical properties of metals, semiconductors, molecular aggregates and strongly correlated quantum materials. The excitations are then viewed as independent harmonic oscillators where the many-body interactions between the oscillators are mapped into anharmonicities. We present a Green's function approach based on coboson algebra for calculating nonlinear optical signals and apply it onwards the study of two and three exciton states. The method only requires the diagonalization of the single exciton manifold and avoids equations of motion of multi-exciton manifolds. Using coboson algebra many body effects are recast in terms of tetradic exciton-exciton interactions: Coulomb scattering and Pauli exchange. The physical space of Fermions is recovered by singular-value decomposition of the over-complete coboson basis set. The approach is used to calculate third and fifth order quantum coherence optical signals that directly probe correlations in two- and three exciton states and their projections on the two and single exciton manifold.
Decay and Fission Hindrance of Two- and Four-Quasiparticle K Isomers in Rf 254
DOE Office of Scientific and Technical Information (OSTI.GOV)
David, H. M.; Chen, J.; Seweryniak, D.
2015-09-01
Two isomers decaying by electromagnetic transitions with half-lives of 4.7(1.1) and 247 ( 73 ) μ s have been discovered in the heavy 254 Rf nucleus. The observation of the shorter-lived isomer was made possible by a novel application of a digital data acquisition system. The isomers were interpreted as the K π = 8 - , ν 2 ( 7 / 2 + [ 624 ] , 9 / 2 - [ 734 ] ) two-quasineutron and the K π = 1 6 + , 8 - ν 2 ( 7 / 2 + [ 624 ] , 9more » / 2 - [ 734 ] ) Ⓧ 8 - π 2 ( 7 / 2 -[ 514 ] , 9 / 2 + [ 624 ] ) four-quasiparticle configurations, respectively. Surprisingly, the lifetime of the two-quasiparticle isomer is more than 4 orders of magnitude shorter than what has been observed for analogous isomers in the lighter N = 150 isotones. The four-quasiparticle isomer is longer lived than the 254 Rf ground state that decays exclusively by spontaneous fission with a half-life of 23.2 ( 1.1 ) μ s . The absence of sizable fission branches from either of the isomers implies unprecedented fission hindrance relative to the ground state.« less
Decay and Fission Hindrance of Two- and Four-Quasiparticle K Isomers in ^{254}Rf.
David, H M; Chen, J; Seweryniak, D; Kondev, F G; Gates, J M; Gregorich, K E; Ahmad, I; Albers, M; Alcorta, M; Back, B B; Baartman, B; Bertone, P F; Bernstein, L A; Campbell, C M; Carpenter, M P; Chiara, C J; Clark, R M; Cromaz, M; Doherty, D T; Dracoulis, G D; Esker, N E; Fallon, P; Gothe, O R; Greene, J P; Greenlees, P T; Hartley, D J; Hauschild, K; Hoffman, C R; Hota, S S; Janssens, R V F; Khoo, T L; Konki, J; Kwarsick, J T; Lauritsen, T; Macchiavelli, A O; Mudder, P R; Nair, C; Qiu, Y; Rissanen, J; Rogers, A M; Ruotsalainen, P; Savard, G; Stolze, S; Wiens, A; Zhu, S
2015-09-25
Two isomers decaying by electromagnetic transitions with half-lives of 4.7(1.1) and 247(73) μs have been discovered in the heavy ^{254}Rf nucleus. The observation of the shorter-lived isomer was made possible by a novel application of a digital data acquisition system. The isomers were interpreted as the K^{π}=8^{-}, ν^{2}(7/2^{+}[624],9/2^{-}[734]) two-quasineutron and the K^{π}=16^{+}, 8^{-}ν^{2}(7/2^{+}[624],9/2^{-}[734])⊗8^{-}π^{2}(7/2^{-}[514],9/2^{+}[624]) four-quasiparticle configurations, respectively. Surprisingly, the lifetime of the two-quasiparticle isomer is more than 4 orders of magnitude shorter than what has been observed for analogous isomers in the lighter N=150 isotones. The four-quasiparticle isomer is longer lived than the ^{254}Rf ground state that decays exclusively by spontaneous fission with a half-life of 23.2(1.1) μs. The absence of sizable fission branches from either of the isomers implies unprecedented fission hindrance relative to the ground state.
Probing the unconventional superconducting state of LiFeAs by quasiparticle interference.
Hänke, Torben; Sykora, Steffen; Schlegel, Ronny; Baumann, Danny; Harnagea, Luminita; Wurmehl, Sabine; Daghofer, Maria; Büchner, Bernd; van den Brink, Jeroen; Hess, Christian
2012-03-23
A crucial step in revealing the nature of unconventional superconductivity is to investigate the symmetry of the superconducting order parameter. Scanning tunneling spectroscopy has proven a powerful technique to probe this symmetry by measuring the quasiparticle interference (QPI) which sensitively depends on the superconducting pairing mechanism. A particularly well-suited material to apply this technique is the stoichiometric superconductor LiFeAs as it features clean, charge neutral cleaved surfaces without surface states and a relatively high T(c)∼18 K. Our data reveal that in LiFeAs the quasiparticle scattering is governed by a van Hove singularity at the center of the Brillouin zone which is in stark contrast to other pnictide superconductors where nesting is crucial for both scattering and s(±) superconductivity. Indeed, within a minimal model and using the most elementary order parameters, calculations of the QPI suggest a dominating role of the holelike bands for the quasiparticle scattering. Our theoretical findings do not support the elementary singlet pairing symmetries s(++), s(±), and d wave. This brings to mind that the superconducting pairing mechanism in LiFeAs is based on an unusual pairing symmetry such as an elementary p wave (which provides optimal agreement between the experimental data and QPI simulations) or a more complex order parameter (e.g., s+id wave symmetry).
Magnetic monopole dynamics in spin ice.
Jaubert, L D C; Holdsworth, P C W
2011-04-27
One of the most remarkable examples of emergent quasi-particles is that of the 'fractionalization' of magnetic dipoles in the low energy configurations of materials known as 'spin ice' into free and unconfined magnetic monopoles interacting via Coulomb's 1/r law (Castelnovo et al 2008 Nature 451 42-5). Recent experiments have shown that a Coulomb gas of magnetic charges really does exist at low temperature in these materials and this discovery provides a new perspective on otherwise largely inaccessible phenomenology. In this paper, after a review of the different spin ice models, we present detailed results describing the diffusive dynamics of monopole particles starting both from the dipolar spin ice model and directly from a Coulomb gas within the grand canonical ensemble. The diffusive quasi-particle dynamics of real spin ice materials within the 'quantum tunnelling' regime is modelled with Metropolis dynamics, with the particles constrained to move along an underlying network of oriented paths, which are classical analogues of the Dirac strings connecting pairs of Dirac monopoles.
NASA Astrophysics Data System (ADS)
Brandow, B. H.
1986-01-01
the Kondo regime, of a significant quasiparticle contribution to the f spectral weight in the vicinity of ɛf. The present ``one-parameter'' and ``two-parameter'' versions can be viewed as lattice generalizations of the first two approximations of the (1/Nf)-expansion school, although our treatment of lattice aspects departs from strict 1/Nf methodology. The two versions have Wilson ratios ≡1 and ≠1, respectively, consistent with (1/Nf)-expansion studies of the single-impurity model, and a number of other features likewise show good correspondence with (1/Nf)-expansion results. Implications are presented for the finite-temperature behaviors of several properties, especially the specific heat and electrical resistivity. Comparison with experiment then leads to some inferences about the band structures of heavy-fermion materials. A new mechanism is presented for breakup of the coherent Fermi-liquid behavior, as temperature is increased. There are two main approximations: (a) Neglect of the ``site exclusion'' problem, i.e., within cluster-expansion terms we ignore the requirement that interacting sites must all be distinct. (b) Assumption of a low density of excited quasiparticles (those excited from the ``far'' side of the hybridization gap) limits the present treatment to very low temperatures, T<
NASA Astrophysics Data System (ADS)
Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S.; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J.; Schuck, P. James
2017-08-01
Optoelectronic excitations in monolayer MoS2 manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena—critical to both many-body physics exploration and device applications—presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.
Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J; Schuck, P James
2017-08-25
Optoelectronic excitations in monolayer MoS_{2} manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena-critical to both many-body physics exploration and device applications-presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.
Hess, Christian; Sykora, Steffen; Hänke, Torben; Schlegel, Ronny; Baumann, Danny; Zabolotnyy, Volodymyr B; Harnagea, Luminita; Wurmehl, Sabine; van den Brink, Jeroen; Büchner, Bernd
2013-01-04
Several angle-resolved photoemission spectroscopy (ARPES) studies reveal a poorly nested Fermi surface of LiFeAs, far away from a spin density wave instability, and clear-cut superconducting gap anisotropies. On the other hand a very different, more nested Fermi surface and dissimilar gap anisotropies have been obtained from quasiparticle interference (QPI) data, which were interpreted as arising from intraband scattering within holelike bands. Here we show that this ARPES-QPI paradox is completely resolved by interband scattering between the holelike bands. The resolution follows from an excellent agreement between experimental quasiparticle scattering data and T-matrix QPI calculations (based on experimental band structure data), which allows disentangling interband and intraband scattering processes.
Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions
Gao, Weiwei; Xia, Weiyi; Gao, Xiang; Zhang, Peihong
2016-01-01
Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelerate fully converged GW calculations for large systems, enabling fast and accurate quasiparticle calculations for complex materials systems. We demonstrate the performance of this new method by presenting the results for ZnO and MgO supercells. A speed-up factor of nearly two orders of magnitude is achieved for a system containing 256 atoms (1024 valence electrons) with a negligibly small numerical error of ±0.03 eV. Finally, we discuss the application of our method to the GW calculations for 2D materials. PMID:27833140
Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions.
Gao, Weiwei; Xia, Weiyi; Gao, Xiang; Zhang, Peihong
2016-11-11
Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelerate fully converged GW calculations for large systems, enabling fast and accurate quasiparticle calculations for complex materials systems. We demonstrate the performance of this new method by presenting the results for ZnO and MgO supercells. A speed-up factor of nearly two orders of magnitude is achieved for a system containing 256 atoms (1024 valence electrons) with a negligibly small numerical error of ±0.03 eV. Finally, we discuss the application of our method to the GW calculations for 2D materials.
Multi-Quasiparticle Gamma-Band Structure in Neutron-Deficient Ce and Nd Isotopes
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sheikh, Javid; Bhat, G. H.; Palit, R.
2009-01-01
The newly developed multi-quasiparticle triaxial projected shell-model approach is employed to study the high-spin band structures in neutron-deficient even-even Ce and Nd isotopes. It is observed that gamma bands are built on each intrinsic configuration of the triaxial mean-field deformation. Due to the fact that a triaxial configuration is a superposition of several K states, the projection from these states results in several low-lying bands originating from the same intrinsic configuration. This generalizes the well-known concept of the surface gamma oscillation in deformed nuclei based on the ground state to gamma bands built on multi-quasiparticle configurations. This new feature providesmore » an alternative explanation on the observation of two I=10 aligning states in ^{134}Ce and both exhibiting a neutron character.« less
Effective distributions of quasiparticles for thermal photons
NASA Astrophysics Data System (ADS)
Monnai, Akihiko
2015-07-01
It has been found in recent heavy-ion experiments that the second and the third flow harmonics of direct photons are larger than most theoretical predictions. In this study, I construct effective parton phase-space distributions with in-medium interaction using quasiparticle models so that they are consistent with a lattice QCD equation of state. Then I investigate their effects on thermal photons using a hydrodynamic model. Numerical results indicate that elliptic flow and transverse momentum spectra are modified by the corrections to Fermi-Dirac and Bose-Einstein distributions.
Nonequilibrium Quasiparticle Distribution Induced by Kondo Defects
NASA Astrophysics Data System (ADS)
Kroha, J.; Zawadowski, A.
2002-04-01
It is shown that in resistive nanowires out of equilibrium containing either single- or two-channel Kondo impurities the distribution function f(E,U) obeys scaling behavior in terms of the quasiparticle energy E and the bias voltage U. The numerically calculated f(E,U) curves explain quantitatively recent experiments on Cu and Au nanowires. The systematics of the impurity concentration cimp extracted from the comparison between theory and results on various Cu and Au samples strongly suggests that in these systems the scaling arises from magnetic Kondo impurities.
NASA Astrophysics Data System (ADS)
Tadano, Terumasa; Tsuneyuki, Shinji
2015-08-01
We present an ab initio framework to calculate anharmonic phonon frequency and phonon lifetime that is applicable to severely anharmonic systems. We employ self-consistent phonon (SCPH) theory with microscopic anharmonic force constants, which are extracted from density functional calculations using the least absolute shrinkage and selection operator technique. We apply the method to the high-temperature phase of SrTiO3 and obtain well-defined phonon quasiparticles that are free from imaginary frequencies. Here we show that the anharmonic phonon frequency of the antiferrodistortive mode depends significantly on the system size near the critical temperature of the cubic-to-tetragonal phase transition. By applying perturbation theory to the SCPH result, phonon lifetimes are calculated for cubic SrTiO3, which are then employed to predict lattice thermal conductivity using the Boltzmann transport equation within the relaxation-time approximation. The presented methodology is efficient and accurate, paving the way toward a reliable description of thermodynamic, dynamic, and transport properties of systems with severe anharmonicity, including thermoelectric, ferroelectric, and superconducting materials.
Quasi-particles ultrafastly releasing kink bosons to form Fermi arcs in a cuprate superconductor.
Ishida, Y; Saitoh, T; Mochiku, T; Nakane, T; Hirata, K; Shin, S
2016-01-05
In a conventional framework, superconductivity is lost at a critical temperature (Tc) because, at higher temperatures, gluing bosons can no longer bind two electrons into a Cooper pair. In high-Tc cuprates, it is still unknown how superconductivity vanishes at Tc. We provide evidence that the so-called ≲ 70-meV kink bosons that dress the quasi-particle excitations are playing a key role in the loss of superconductivity in a cuprate. We irradiated a 170-fs laser pulse on Bi2Sr2CaCu2O(8+δ) and monitored the responses of the superconducting gap and dressed quasi-particles by time- and angle-resolved photoemission spectroscopy. We observe an ultrafast loss of superconducting gap near the d-wave node, or light-induced Fermi arcs, which is accompanied by spectral broadenings and weight redistributions occurring within the kink binding energy. We discuss that the underlying mechanism of the spectral broadening that induce the Fermi arc is the undressing of quasi-particles from the kink bosons. The loss mechanism is beyond the conventional framework, and can accept the unconventional phenomena such as the signatures of Cooper pairs remaining at temperatures above Tc.
Quasi-particles ultrafastly releasing kink bosons to form Fermi arcs in a cuprate superconductor
Ishida, Y.; Saitoh, T.; Mochiku, T.; Nakane, T.; Hirata, K.; Shin, S.
2016-01-01
In a conventional framework, superconductivity is lost at a critical temperature (Tc) because, at higher temperatures, gluing bosons can no longer bind two electrons into a Cooper pair. In high-Tc cuprates, it is still unknown how superconductivity vanishes at Tc. We provide evidence that the so-called ≲70-meV kink bosons that dress the quasi-particle excitations are playing a key role in the loss of superconductivity in a cuprate. We irradiated a 170-fs laser pulse on Bi2Sr2CaCu2O8+δ and monitored the responses of the superconducting gap and dressed quasi-particles by time- and angle-resolved photoemission spectroscopy. We observe an ultrafast loss of superconducting gap near the d-wave node, or light-induced Fermi arcs, which is accompanied by spectral broadenings and weight redistributions occurring within the kink binding energy. We discuss that the underlying mechanism of the spectral broadening that induce the Fermi arc is the undressing of quasi-particles from the kink bosons. The loss mechanism is beyond the conventional framework, and can accept the unconventional phenomena such as the signatures of Cooper pairs remaining at temperatures above Tc. PMID:26728626
NASA Astrophysics Data System (ADS)
Köhler, T.; Schumann, O.; Biebl, F.; Kramer, S.; Kehrein, S.; Manmana, S.; Rajpurohit, S.; Sotoudeh, M.; Blöchl, P.
We investigate 1D correlated systems following a photoexcitation by combining ab-initio methods, time-dependent matrix product state (MPS) approaches, analytical insights from linearized quantum Boltzmann equations (LBE), and molecular dynamics (MD) simulations to describe the dynamics on different time scales ranging from femto- up to nanoseconds. This is done for manganite systems in the material class Pr1-xCaxMnO3. We derive 1D ab-initio model Hamiltonians for which we compute the ground states at different values of the doping using MD simulations. At half doping, we obtain a magnetic microstructure of alternating dimers from which we derive a 1D Hubbard-type model. The dynamics is analyzed concerning the formation and lifetime of such quasiparticles via a LBE. We find that the magnetic microstructure strongly enhances the lifetime of the excitations. In this way, our work constitutes a first step to building a unifying theoretical framework for the description of photoexcitations in strongly correlated materials over a wide range of time scales, capable of making predictions for ongoing experiments investigating pump-probe situations and unconventional photovoltaics. Financial support from the Deutsche Forschungsgemeinschaft (DFG) through SFB/CRC1073 (Projects B03 and C03) is gratefully acknowledged.
NASA Astrophysics Data System (ADS)
Jaya, Selvaraj Mathi
2017-06-01
A non-equilibrium Green's function formulation to study the spin transfer torque (STT) in non-collinear magnetic tunnel junctions (MTJs) exhibiting quasiparticle bands is developed. The formulation can be used to study the magnetoresistance and spin current too. The formulation is used to study the STT in model tunnel junctions exhibiting multiple layers and quasiparticle bands. The many body interaction that gives rise to quasiparticle bands is assumed to be a s - f exchange interaction at the electrode regions of the MTJ. The quasiparticle bands are obtained using a many body procedure and the single particle band structure is obtained using the tight binding model. The bias dependence of the STT as well as the influence of band occupancy and s - f exchange coupling strength on the STT are studied. We find from our studies that the band occupancy plays a significant role in deciding the STT and the s - f interaction strength too influences the STT significantly. Anomalous behavior in both the parallel and perpendicular components of the STT is obtained from our studies. Our results obtained for certain values of the band occupation are found to show the trend observed from the experimental measurements of STT.
Quantum critical point revisited by dynamical mean-field theory
NASA Astrophysics Data System (ADS)
Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.
2017-03-01
Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.
Spin-orbit torque-driven skyrmion dynamics revealed by time-resolved X-ray microscopy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Woo, Seonghoon; Song, Kyung Mee; Han, Hee-Sung
Magnetic skyrmions are topologically protected spin textures with attractive properties suitable for high-density and low-power spintronic device applications. Much effort has been dedicated to understanding the dynamical behaviours of the magnetic skyrmions. However, experimental observation of the ultrafast dynamics of this chiral magnetic texture in real space, which is the hallmark of its quasiparticle nature, has so far remained elusive. Here, we report nanosecond-dynamics of a 100nm-diameter magnetic skyrmion during a current pulse application, using a time-resolved pump-probe soft X-ray imaging technique. We demonstrate that distinct dynamic excitation states of magnetic skyrmions, triggered by current-induced spin-orbit torques, can be reliablymore » tuned by changing the magnitude of spin-orbit torques. Our findings show that the dynamics of magnetic skyrmions can be controlled by the spin-orbit torque on the nanosecond time scale, which points to exciting opportunities for ultrafast and novel skyrmionic appl ications in the future.« less
Spin-orbit torque-driven skyrmion dynamics revealed by time-resolved X-ray microscopy
Woo, Seonghoon; Song, Kyung Mee; Han, Hee-Sung; ...
2017-05-24
Magnetic skyrmions are topologically protected spin textures with attractive properties suitable for high-density and low-power spintronic device applications. Much effort has been dedicated to understanding the dynamical behaviours of the magnetic skyrmions. However, experimental observation of the ultrafast dynamics of this chiral magnetic texture in real space, which is the hallmark of its quasiparticle nature, has so far remained elusive. Here, we report nanosecond-dynamics of a 100nm-diameter magnetic skyrmion during a current pulse application, using a time-resolved pump-probe soft X-ray imaging technique. We demonstrate that distinct dynamic excitation states of magnetic skyrmions, triggered by current-induced spin-orbit torques, can be reliablymore » tuned by changing the magnitude of spin-orbit torques. Our findings show that the dynamics of magnetic skyrmions can be controlled by the spin-orbit torque on the nanosecond time scale, which points to exciting opportunities for ultrafast and novel skyrmionic appl ications in the future.« less
Patrick, Christopher E; Giustino, Feliciano
2012-09-14
Investigating quasiparticle excitations of molecules on surfaces through photoemission spectroscopy forms a major part of nanotechnology research. Resolving spectral features at these interfaces requires a comprehensive theory of electron removal and addition processes in molecules and solids which captures the complex interplay of image charges, thermal effects, and configurational disorder. Here, we develop such a theory and calculate the quasiparticle energy-level alignment and the valence photoemission spectrum for the prototype biomimetic solar cell interface between anatase TiO(2) and the N3 chromophore. By directly matching our calculated photoemission spectrum to experimental data, we clarify the atomistic origin of the chromophore peak at low binding energy. This case study sets a new standard in the interpretation of photoemission spectroscopy at complex chromophore-semiconductor interfaces.
Quasiparticle interference in the heavy-fermion superconductor CeCoIn5
NASA Astrophysics Data System (ADS)
Akbari, Alireza; Thalmeier, Peter; Eremin, Ilya
2011-10-01
We investigate the quasiparticle interference in the heavy fermion superconductor CeCoIn5 as a direct method to confirm the d-wave gap symmetry. The ambiguity between dxy and dx2-y2 symmetry remaining from earlier specific heat and thermal transport investigations has been resolved in favor of the latter by the observation of a spin resonance that can occur only in dx2-y2 symmetry. However, these methods are all indirect and depend considerably on theoretical interpretation. Here we propose that quasiparticle interference (QPI) spectroscopy by scanning tunneling microscopy (STM) can give a direct fingerprint of the superconducting gap in real space that may lead to a definite conclusion on its symmetry for CeCoIn5 and related 115 compounds. The QPI pattern for both magnetic and nonmagnetic impurities is calculated for the possible d-wave symmetries and characteristic differences are found that may be identified by use of the STM method.
First-Principle Calculation of Quasiparticle Excitations and Optical Absorption in NiO
NASA Astrophysics Data System (ADS)
Li, Je-Luen; Rignanese, Gian-Marco; Louie, Steven G.
2001-03-01
We present a first-principle study of the quasiparticle excitations and optical absorption spectrum in NiO. The ground state electronic structure is calculated with the generalized gradient approximation in density functional theory and ab initio pseudopotential. The quasiparticle energies are then computed employing the GW approximation. In addition to comparing to photoemisson result, comparison between the measured and calculated complex dielectric function helps to identify the onset of excitations in this system. We illustrate some subtleties of pseudopotential calculations: the effect of including 3 s and 3p electrons in Ni pseudopotential; the difference between using velocity and momentum operators in the RPA dielectric function. Finally, we discuss a recent effort to solve the Bethe-Salpeter equation for the optical spectrum in this spin polarized system to address the remaining discrepancy between theory and experiment.
Finite quasiparticle lifetime in disordered superconductors.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zemlicka, M.; Neilinger, P.; Trgala, M
We investigate the complex conductivity of a highly disordered MoC superconducting film with k(F)l approximate to 1, where k(F) is the Fermi wave number and l is the mean free path, derived from experimental transmission characteristics of coplanar waveguide resonators in a wide temperature range below the superconducting transition temperature T-c. We find that the original Mattis-Bardeen model with a finite quasiparticle lifetime, tau, offers a perfect description of the experimentally observed complex conductivity. We show that iota is appreciably reduced by scattering effects. Characteristics of the scattering centers are independently found by scanning tunneling spectroscopy and agree with thosemore » determined from the complex conductivity.« less
Multi-quasiparticle excitations in145Tb
NASA Astrophysics Data System (ADS)
Zheng, Yong; Zhou, Xiaohong; Zhang, Yuhu; Liu, Minliang; Guo, Yingxiang; Lei, Xiangguo; Hayakawa, T.; Oshima, M.; Toh, T.; Shizuma, T.; Katakura, J.; Hatsukawa, Y.; Matsuda, M.; Kusakari, H.; Sugawara, M.
2004-09-01
High-spin states in145Tb have been populated using the118Sn (32S, 1p4n) reaction at beam energy of 165 MeV. The level scheme of145Tb has been established up to Ex≈7.4 MeV. The level scheme shows characteristics of a spherical or slightly oblate nucleus. Based on the systematic trends of the level structure in the neighboring N=80 isotones, the level structure in145Tb below 2 MeV excitation is well eplained by coupling an h 11/2 valence proton to the even-even144Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations.
Quantum critical point revisited by dynamical mean-field theory
Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.
2017-03-31
Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations basedmore » on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.« less
NASA Astrophysics Data System (ADS)
Stricker, D.; Mravlje, J.; Berthod, C.; Fittipaldi, R.; Vecchione, A.; Georges, A.; van der Marel, D.
2014-08-01
We report optical measurements demonstrating that the low-energy relaxation rate (1/τ) of the conduction electrons in Sr2RuO4 obeys scaling relations for its frequency (ω) and temperature (T) dependence in accordance with Fermi-liquid theory. In the thermal relaxation regime, 1/τ∝(ℏω)2+(pπkBT)2 with p=2, and ω/T scaling applies. Many-body electronic structure calculations using dynamical mean-field theory confirm the low-energy Fermi-liquid scaling and provide quantitative understanding of the deviations from Fermi-liquid behavior at higher energy and temperature. The excess optical spectral weight in this regime provides evidence for strongly dispersing "resilient" quasiparticle excitations above the Fermi energy.
Extinction of quasiparticle interference in underdoped cuprates with coexisting order
NASA Astrophysics Data System (ADS)
Andersen, Brian M.; Hirschfeld, P. J.
2009-04-01
Scanning tunneling spectroscopy (STS) measurements [Y. Kohsaka , Nature (London) 454, 1072 (2008)] have shown that dispersing quasiparticle interference (QPI) peaks in Fourier-transformed conductance maps disappear as the bias voltage exceeds a certain threshold corresponding to the coincidence of the contour of constant quasiparticle energy with the period-doubled (e.g., antiferromagnetic) zone boundary. Here we show that this may be caused by coexisting order present in the d -wave superconducting phase. We show explicitly how QPI peaks are extinguished in the situation with coexisting long-range spin-density wave order and discuss the connection with the more realistic case where short-range order is created by quenched disorder. Since it is the localized QPI peaks rather than the underlying antinodal states themselves which are destroyed at a critical bias, our proposal resolves a conflict between STS and photoemission spectroscopy regarding the nature of these states. We also study the momentum-summed density of states in the coexisting phase and show how the competing order produces a kink inside the “V”-shaped d -wave superconducting gap in agreement with recent STS measurements [J. W. Alldredge , Nat. Phys. 4, 319 (2008)].
Multi-quasiparticle excitations in 145Tb
NASA Astrophysics Data System (ADS)
Zheng, Y.; Zhou, X. H.; Zhang, Y. H.; Hayakawa, T.; Oshima, M.; Toh, Y.; Shizuma, T.; Katakura, J.; Hatsukawa, Y.; Matsuda, M.; Kusakari, H.; Sugawara, M.; Furuno, K.; Komatsubara, T.
2004-04-01
High-spin states in 145Tb have been investigated by means of in-beam ggr-ray spectroscopy techniques with the 118Sn(32S, 1p4n) reaction. Excitation functions, X-ggr-t and ggr-ggr-t coincidences and ggr-ray anisotropies were measured. A level scheme of 145Tb was established up to Exap 7 MeV. The level structure shows characteristics of a spherical nucleus. Based on the systematics of level structure in the odd-A N = 80 isotones, the level structure below 2 MeV excitation is interpreted by coupling an h11/2 proton to the excitations in the even-even 144Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations.
de Graaf, S E; Leppäkangas, J; Adamyan, A; Danilov, A V; Lindström, T; Fogelström, M; Bauch, T; Johansson, G; Kubatkin, S E
2013-09-27
We study a superconducting charge qubit coupled to an intensive electromagnetic field and probe changes in the resonance frequency of the formed dressed states. At large driving strengths, exceeding the qubit energy-level splitting, this reveals the well known Landau-Zener-Stückelberg interference structure of a longitudinally driven two-level system. For even stronger drives, we observe a significant change in the Landau-Zener-Stückelberg pattern and contrast. We attribute this to photon-assisted quasiparticle tunneling in the qubit. This results in the recovery of the qubit parity, eliminating effects of quasiparticle poisoning, and leads to an enhanced interferometric response. The interference pattern becomes robust to quasiparticle poisoning and has a good potential for accurate charge sensing.
Convergence of quasiparticle self-consistent GW calculations of transition metal monoxides
NASA Astrophysics Data System (ADS)
Das, Suvadip; Coulter, John E.; Manousakis, Efstratios
2015-03-01
We have investigated the electronic structure of the transition metal monoxides MnO, CoO, and NiO in their undistorted rock-salt structure within a fully iterated quasiparticle self-consistent GW (QPscGW) scheme. We have studied the convergence of the QPscGW method, i.e., how the quasiparticle energy eigenvalues and wavefunctions converge as a function of the QPscGW iterations, and compared the converged outputs obtained from different starting wavefunctions. We found that the convergence is slow and that a one-shot G0W0 calculation does not significantly improve the initial eigenvalues and states. In some cases the ``path'' to convergence may go through energy band reordering which cannot be captured by the simple initial unperturbed Hamiltonian. When a fully iterated solution is reached, the converged density of states, band-gaps and magnetic moments of these oxides are found to be only weakly dependent on the choice of the starting wavefunctions and in reasonable agreement with the experiment. National High Magnetic Field Laboratory.
Quasiparticle tunneling in the lowest Landau level
NASA Astrophysics Data System (ADS)
Hennel, Szymon; Scheidegger, Patrick; Kellermeier, Max; Hofmann, Andrea; Krähenmann, Tobias; Reichl, Christian; Wegscheider, Werner; Ihn, Thomas; Ensslin, Klaus
2018-06-01
We measure quasiparticle tunneling across a constriction in the first Landau level. In the limit of weak backscattering, the dependence of the tunneling conductance on temperature and dc-bias is in qualitative disagreement with existing theories. For stronger backscattering, data obtained in the ν =1 /3 state can be fitted to weak backscattering theory with the predicted effective fractional charge of e*=e /3 . The scaling parameter g is however not universal and depends strongly on the gate voltage applied to the constriction. At ν =4 /3 , a more complex picture emerges. We propose an interpretation in terms of selective tunneling between the multiple modes present at the edge.
Hong, Tao; Qiu, Y.; Matsumoto, M.; ...
2017-05-05
The notion of a quasiparticle, such as a phonon, a roton or a magnon, is used in modern condensed matter physics to describe an elementary collective excitation. The intrinsic zero-temperature magnon damping in quantum spin systems can be driven by the interaction of the one-magnon states and multi-magnon continuum. However, detailed experimental studies on this quantum many-body effect induced by an applied magnetic field are rare. Here we present a high-resolution neutron scattering study in high fields on an S=1/2 antiferromagnet C 9H 18N 2CuBr 4. Finally, compared with the non-interacting linear spin–wave theory, our results demonstrate a variety ofmore » phenomena including field-induced renormalization of one-magnon dispersion, spontaneous magnon decay observed via intrinsic linewidth broadening, unusual non-Lorentzian two-peak structure in the excitation spectra and a dramatic shift of spectral weight from one-magnon state to the two-magnon continuum.« less
NASA Astrophysics Data System (ADS)
Hong, Tao; Qiu, Y.; Matsumoto, M.; Tennant, D. A.; Coester, K.; Schmidt, K. P.; Awwadi, F. F.; Turnbull, M. M.; Agrawal, H.; Chernyshev, A. L.
2017-05-01
The notion of a quasiparticle, such as a phonon, a roton or a magnon, is used in modern condensed matter physics to describe an elementary collective excitation. The intrinsic zero-temperature magnon damping in quantum spin systems can be driven by the interaction of the one-magnon states and multi-magnon continuum. However, detailed experimental studies on this quantum many-body effect induced by an applied magnetic field are rare. Here we present a high-resolution neutron scattering study in high fields on an S=1/2 antiferromagnet C9H18N2CuBr4. Compared with the non-interacting linear spin-wave theory, our results demonstrate a variety of phenomena including field-induced renormalization of one-magnon dispersion, spontaneous magnon decay observed via intrinsic linewidth broadening, unusual non-Lorentzian two-peak structure in the excitation spectra and a dramatic shift of spectral weight from one-magnon state to the two-magnon continuum.
Hong, Tao; Qiu, Y.; Matsumoto, M.; Tennant, D. A.; Coester, K.; Schmidt, K. P.; Awwadi, F. F.; Turnbull, M. M.; Agrawal, H.; Chernyshev, A. L.
2017-01-01
The notion of a quasiparticle, such as a phonon, a roton or a magnon, is used in modern condensed matter physics to describe an elementary collective excitation. The intrinsic zero-temperature magnon damping in quantum spin systems can be driven by the interaction of the one-magnon states and multi-magnon continuum. However, detailed experimental studies on this quantum many-body effect induced by an applied magnetic field are rare. Here we present a high-resolution neutron scattering study in high fields on an S=1/2 antiferromagnet C9H18N2CuBr4. Compared with the non-interacting linear spin–wave theory, our results demonstrate a variety of phenomena including field-induced renormalization of one-magnon dispersion, spontaneous magnon decay observed via intrinsic linewidth broadening, unusual non-Lorentzian two-peak structure in the excitation spectra and a dramatic shift of spectral weight from one-magnon state to the two-magnon continuum. PMID:28474679
Hong, Tao; Qiu, Y; Matsumoto, M; Tennant, D A; Coester, K; Schmidt, K P; Awwadi, F F; Turnbull, M M; Agrawal, H; Chernyshev, A L
2017-05-05
The notion of a quasiparticle, such as a phonon, a roton or a magnon, is used in modern condensed matter physics to describe an elementary collective excitation. The intrinsic zero-temperature magnon damping in quantum spin systems can be driven by the interaction of the one-magnon states and multi-magnon continuum. However, detailed experimental studies on this quantum many-body effect induced by an applied magnetic field are rare. Here we present a high-resolution neutron scattering study in high fields on an S=1/2 antiferromagnet C 9 H 18 N 2 CuBr 4 . Compared with the non-interacting linear spin-wave theory, our results demonstrate a variety of phenomena including field-induced renormalization of one-magnon dispersion, spontaneous magnon decay observed via intrinsic linewidth broadening, unusual non-Lorentzian two-peak structure in the excitation spectra and a dramatic shift of spectral weight from one-magnon state to the two-magnon continuum.
NASA Astrophysics Data System (ADS)
Lin, Cheng-Ju; Motrunich, Olexei I.
2017-02-01
The eigenstate thermalization hypothesis provides one picture of thermalization in a quantum system by looking at individual eigenstates. However, it is also important to consider how local observables reach equilibrium values dynamically. Quench protocol is one of the settings to study such questions. A recent numerical study [Bañuls, Cirac, and Hastings, Phys. Rev. Lett. 106, 050405 (2007), 10.1103/PhysRevLett.106.050405] of a nonintegrable quantum Ising model with longitudinal field under such a quench setting found different behaviors for different initial quantum states. One particular case called the "weak-thermalization" regime showed apparently persistent oscillations of some observables. Here we provide an explanation of such oscillations. We note that the corresponding initial state has low energy density relative to the ground state of the model. We then use perturbation theory near the ground state and identify the oscillation frequency as essentially a quasiparticle gap. With this quasiparticle picture, we can then address the long-time behavior of the oscillations. Upon making additional approximations which intuitively should only make thermalization weaker, we argue that the oscillations nevertheless decay in the long-time limit. As part of our arguments, we also consider a quench from a BEC to a hard-core boson model in one dimension. We find that the expectation value of a single-boson creation operator oscillates but decays exponentially in time, while a pair-boson creation operator has oscillations with a t-3 /2 decay in time. We also study dependence of the decay time on the density of bosons in the low-density regime and use this to estimate decay time for oscillations in the original spin model.
Detecting sign-changing superconducting gap in LiFeAs using quasiparticle interference
NASA Astrophysics Data System (ADS)
Altenfeld, D.; Hirschfeld, P. J.; Mazin, I. I.; Eremin, I.
2018-02-01
Using a realistic ten-orbital tight-binding model Hamiltonian fitted to the angle-resolved photoemission spectroscopy data on LiFeAs, we analyze the temperature, frequency, and momentum dependencies of quasiparticle interference to identify gap sign changes in a qualitative way, following our original proposal [Phys. Rev. B 92, 184513 (2015), 10.1103/PhysRevB.92.184513]. We show that all features present for the simple two-band model for the sign-changing s+--wave superconducting gap employed previously are still present in the realistic tight-binding approximation and gap values observed experimentally. We discuss various superconducting gap structures proposed for LiFeAs and identify various features of these superconducting gap functions in the quasiparticle interference patterns. On the other hand, we show that it will be difficult to identify the more complicated possible sign structures of the hole pocket gaps in LiFeAs due to the smallness of the pockets and the near proximity of two of the gap energies.
Nonadiabatic dynamics of electron scattering from adsorbates in surface bands
NASA Astrophysics Data System (ADS)
Gumhalter, Branko; Šiber, Antonio; Buljan, Hrvoje; Fauster, Thomas
2008-10-01
We present a comparative study of nonadiabatic dynamics of electron scattering in quasi-two-dimensional surface band which is induced by the long-range component of the interactions with a random array of adsorbates. Using three complementary model descriptions of intraband spatiotemporal propagation of quasiparticles that go beyond the single-adsorbate scattering approach we are able to identify distinct subsequent regimes of evolution of an electron following its promotion into an unoccupied band state: (i) early quadratic or ballistic decay of the initial-state survival probability within the Heisenberg uncertainty window, (ii) preasymptotic exponential decay governed by the self-consistent Fermi golden rule scattering rate, and (iii) asymptotic decay described by a combined inverse power-law and logarithmic behavior. The developed models are applied to discuss the dynamics of intraband adsorbate-induced scattering of hot electrons excited into the n=1 image-potential band on Cu(100) surface during the first stage of a two-photon photoemission process. Estimates of crossovers between the distinct evolution regimes enable assessments of the lifespan of a standard quasiparticle behavior and thereby of the range of applicability of the widely used Fermi golden rule and optical Bloch equations approach for description of adsorbate-induced quasiparticle decay and dephasing in ultrafast experiments.
Revealing Fermi arcs and Weyl nodes in MoTe2 by quasiparticle interference mapping
NASA Astrophysics Data System (ADS)
Deng, Peng; Xu, Zhilin; Deng, Ke; Zhang, Kenan; Wu, Yang; Zhang, Haijun; Zhou, Shuyun; Chen, Xi
2017-06-01
A Weyl semimetal exhibits unique properties with Weyl nodes in the bulk and Fermi arcs on the surface. Recently, MoTe2 was found to be a type-II Weyl semimetal, providing a platform for realizing these Weyl physics. Here, we report visualization of topological surface states on the surface of MoTe2 using a scanning tunneling microscope. Scattering between topological states forms quasiparticle interference (QPI) patterns in the Fourier transform of conductance maps. The complete existence of topological surface states in energy momentum space is revealed by d I /d V mapping. By comparing QPI results with a first-principles calculation, we further unveil the locations of Weyl nodes in the surface Brillouin zone. Our work provides spectroscopic information in the unoccupied states, especially those around the Weyl nodes energy, demonstrating the node-arc correlation in Weyl semimetals.
Xu, Yong; Chu, Rui-Lin; Zhang, Chuanwei
2014-04-04
Weyl fermions, first proposed for describing massless chiral Dirac fermions in particle physics, have not been observed yet in experiments. Recently, much effort has been devoted to explore Weyl fermions around band touching points of single-particle energy dispersions in certain solid state materials (named Weyl semimetals), similar as graphene for Dirac fermions. Here we show that such Weyl semimetals also exist in the quasiparticle excitation spectrum of a three-dimensional spin-orbit-coupled Fulde-Ferrell superfluid. By varying Zeeman fields, the properties of Weyl fermions, such as their creation and annihilation, number and position, as well as anisotropic linear dispersions around band touching points, can be tuned. We study the manifestation of anisotropic Weyl fermions in sound speeds of Fulde-Ferrell fermionic superfluids, which are detectable in experiments.
Osorio-Guillén, J M; Espinosa-García, W F; Moyses Araujo, C
2015-09-07
First-principles quasi-particle theory has been employed to assess catalytic power of graphitic carbon nitride, g-C3N4, for solar fuel production. A comparative study between g-h-triazine and g-h-heptazine has been carried out taking also into account van der Waals dispersive forces. The band edge potentials have been calculated using a recently developed approach where quasi-particle effects are taken into account through the GW approximation. First, it was found that the description of ground state properties such as cohesive and surface formation energies requires the proper treatment of dispersive interaction. Furthermore, through the analysis of calculated band-edge potentials, it is shown that g-h-triazine has high reductive power reaching the potential to reduce CO2 to formic acid, coplanar g-h-heptazine displays the highest thermodynamics force toward H2O/O2 oxidation reaction, and corrugated g-h-heptazine exhibits a good capacity for both reactions. This rigorous theoretical study shows a route to further improve the catalytic performance of g-C3N4.
Layer-Dependent Ultrafast Carrier and Coherent Phonon Dynamics in Black Phosphorus.
Miao, Xianchong; Zhang, Guowei; Wang, Fanjie; Yan, Hugen; Ji, Minbiao
2018-05-09
Black phosphorus is a layered semiconducting material, demonstrating strong layer-dependent optical and electronic properties. Probing the photophysical properties on ultrafast time scales is of central importance in understanding many-body interactions and nonequilibrium quasiparticle dynamics. Here, we applied temporally, spectrally, and spatially resolved pump-probe microscopy to study the transient optical responses of mechanically exfoliated few-layer black phosphorus, with layer numbers ranging from 2 to 9. We have observed layer-dependent resonant transient absorption spectra with both photobleaching and red-shifted photoinduced absorption features, which could be attributed to band gap renormalization of higher subband transitions. Surprisingly, coherent phonon oscillations with unprecedented intensities were observed when the probe photons were in resonance with the optical transitions, which correspond to the low-frequency layer-breathing mode. Our results reveal strong Coulomb interactions and electron-phonon couplings in photoexcited black phosphorus, providing important insights into the ultrafast optical, nanomechanical, and optoelectronic properties of this novel two-dimensional material.
First principles calculation of material properties of group IV elements and III-V compounds
NASA Astrophysics Data System (ADS)
Malone, Brad Dean
This thesis presents first principles calculations on the properties of group IV elements and group III-V compounds. It includes investigations into what structure a material is likely to form in, and given that structure, what are its electronic, optical, and lattice dynamical properties as well as what are the properties of defects that might be introduced into the sample. The thesis is divided as follows: • Chapter 1 contains some of the conceptual foundations used in the present work. These involve the major approximations which allow us to approach the problem of systems with huge numbers of interacting electrons and atomic cores. • Then, in Chapter 2, we discuss one of the major limitations to the DFT formalism introduced in Chapter 1, namely its inability to predict the quasiparticle spectra of materials and in particular the band gap of a semiconductor. We introduce a Green's function approach to the electron self-energy Sigma known as the GW approximation and use it to compute the quasiparticle band structures of a number of group IV and III-V semiconductors. • In Chapter 3 we present a first-principles study of a number of high-pressure metastable phases of Si with tetrahedral bonding. The phases studied include all experimentally determined phases that result from decompression from the metallic beta-Sn phase, specifically the BC8 (Si-III), hexagonal diamond (Si-IV), and R8 (Si-XII). In addition to these, we also study the hypothetical ST12 structure found upon decompression from beta-Sn in germanium. • Our attention is then turned to the first principles calculations of optical properties in Chapter 4. The Bethe-Salpeter equation is then solved to obtain the optical spectrum of this material including electron-hole interactions. The calculated optical spectrum is compared with experimental data for other forms of silicon commonly used in photovoltaic devices, namely the cubic, polycrystalline, and amorphous forms. • In Chapter 5 we present
Delocalization of charge and current in a chiral quasiparticle wave packet
NASA Astrophysics Data System (ADS)
Sarkar, Subhajit
2018-03-01
A chiral quasiparticle wave packet (c-QPWP) is defined as a conventional superposition of chiral quasiparticle states corresponding to an interacting electron system in two dimensions (2D) in the presence of Rashba spin-orbit coupling (RSOC). I investigate its internal structure via studying the charge and the current densities within the first-order perturbation in the electron-electron interaction. It is found that the c-QPWP contains a localized charge which is less than the magnitude of the bare charge and the remaining charge resides at the system boundary. The amount of charge delocalized turns out to be inversely proportional to the degenerate Fermi velocity v0(=√{α2+2 μ /m }) when RSOC (with strength α ) is weak, and therefore externally tunable. For strong RSOC, the magnitudes of both the delocalized charge and the current further strongly depend on the direction of propagation of the wave packet. Both the charge and the current densities consist of an anisotropic r-2 tail away from the center of the wave packet. Possible implications of such delocalizations in real systems corresponding to 2D semiconductor heterostructure are also discussed within the context of particle injection experiments.
Dissociation of 1P states in hot QCD Medium Using Quasi-Particle Model
NASA Astrophysics Data System (ADS)
Nilima, Indrani; Agotiya, Vineet Kumar
2018-03-01
We extend the analysis of a very recent work [1] to study the dissociation phenomenon of 1P states of the charmonium and bottomonium spectra (χc and χb) in a hot QCD medium using Quasi-Particle Model. This study employed a medium modified heavy quark potential which has quite different form in the sense that it has a lomg range Coulombic tail in addition to the Yukawa term even above the deconfinement temperature. Then we study the flavor dependence of their binding energies and explore the nature of dissociation temperatures by employing the Quasi-Particle debye mass for pure gluonic and full QCD case. Interestingly, the dissociation temperatures obtained by employing EoS1 and EoS2 with the Γ criterion, is closer to the upper bound of the dissociation temperatures which are obtained by the dissolution of a given quarkonia state by the mean thermal energy of the quasi-partons in the hot QCD/QGP medium.
Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.
We present a code implementing the linearized self-consistent quasiparticle GW method (QSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N 3more » scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method.« less
Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals
Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.
2017-06-23
We present a code implementing the linearized self-consistent quasiparticle GW method (QSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N 3more » scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method.« less
Hund's Induced Fermi-Liquid Instabilities and Enhanced Quasiparticle Interactions.
De' Medici, Luca
2017-04-21
Hund's coupling is shown to generally favor, in a doped half-filled Mott insulator, an increase in the compressibility culminating in a Fermi-liquid instability towards phase separation. The largest effect is found near the frontier between an ordinary and an orbitally decoupled ("Hund's") metal. The increased compressibility implies an enhancement of quasiparticle scattering, thus favoring other possible symmetry breakings. This physics is shown to happen in simulations of the 122 Fe-based superconductors, possibly implying the relevance of this mechanism in the enhancement of the critical temperature for superconductivity.
Electron Heating and Quasiparticle Tunnelling in Superconducting Charge Qubits
NASA Technical Reports Server (NTRS)
Shaw, M. D.; Bueno, J.; Delsing, P.; Echternach, P. M.
2008-01-01
We have directly measured non-equilibrium quasiparticle tunnelling in the time domain as a function of temperature and RF carrier power for a pair of charge qubits based on the single Cooper-pair box, where the readout is performed with a multiplexed quantum capacitance technique. We have extracted an effective electron temperature for each applied RF power, using the data taken at the lowest power as a reference curve. This data has been fit to a standard T? electron heating model, with a reasonable correspondence with established material parameters.
QRAP: A numerical code for projected (Q)uasiparticle (RA)ndom (P)hase approximation
NASA Astrophysics Data System (ADS)
Samana, A. R.; Krmpotić, F.; Bertulani, C. A.
2010-06-01
A computer code for quasiparticle random phase approximation - QRPA and projected quasiparticle random phase approximation - PQRPA models of nuclear structure is explained in details. The residual interaction is approximated by a simple δ-force. An important application of the code consists in evaluating nuclear matrix elements involved in neutrino-nucleus reactions. As an example, cross sections for 56Fe and 12C are calculated and the code output is explained. The application to other nuclei and the description of other nuclear and weak decay processes are also discussed. Program summaryTitle of program: QRAP ( Quasiparticle RAndom Phase approximation) Computers: The code has been created on a PC, but also runs on UNIX or LINUX machines Operating systems: WINDOWS or UNIX Program language used: Fortran-77 Memory required to execute with typical data: 16 Mbytes of RAM memory and 2 MB of hard disk space No. of lines in distributed program, including test data, etc.: ˜ 8000 No. of bytes in distributed program, including test data, etc.: ˜ 256 kB Distribution format: tar.gz Nature of physical problem: The program calculates neutrino- and antineutrino-nucleus cross sections as a function of the incident neutrino energy, and muon capture rates, using the QRPA or PQRPA as nuclear structure models. Method of solution: The QRPA, or PQRPA, equations are solved in a self-consistent way for even-even nuclei. The nuclear matrix elements for the neutrino-nucleus interaction are treated as the beta inverse reaction of odd-odd nuclei as function of the transfer momentum. Typical running time: ≈ 5 min on a 3 GHz processor for Data set 1.
Doping dependence of ordered phases and emergent quasiparticles in the doped Hubbard-Holstein model
Mendl, C. B.; Nowadnick, E. A.; Huang, E. W.; ...
2017-11-15
Here, we present determinant quantum Monte Carlo simulations of the hole-doped single-band Hubbard-Holstein model on a square lattice, to investigate how quasiparticles emerge when doping a Mott insulator (MI) or a Peierls insulator (PI). The MI regime at large Hubbard interaction U and small relative e-ph coupling strength λ is quickly suppressed upon doping, by drawing spectral weight from the upper Hubbard band and shifting the lower Hubbard band towards the Fermi level, leading to a metallic state with emergent quasiparticles at the Fermi level. On the other hand, the PI regime at large λ and small U persists outmore » to relatively high doping levels. We study the evolution of the d-wave superconducting susceptibility with doping, and find that it increases with lowering temperature in a regime of intermediate values of U and λ.« less
Doping dependence of ordered phases and emergent quasiparticles in the doped Hubbard-Holstein model
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mendl, C. B.; Nowadnick, E. A.; Huang, E. W.
Here, we present determinant quantum Monte Carlo simulations of the hole-doped single-band Hubbard-Holstein model on a square lattice, to investigate how quasiparticles emerge when doping a Mott insulator (MI) or a Peierls insulator (PI). The MI regime at large Hubbard interaction U and small relative e-ph coupling strength λ is quickly suppressed upon doping, by drawing spectral weight from the upper Hubbard band and shifting the lower Hubbard band towards the Fermi level, leading to a metallic state with emergent quasiparticles at the Fermi level. On the other hand, the PI regime at large λ and small U persists outmore » to relatively high doping levels. We study the evolution of the d-wave superconducting susceptibility with doping, and find that it increases with lowering temperature in a regime of intermediate values of U and λ.« less
NASA Technical Reports Server (NTRS)
Wei, J. Y. T.; Yeh, N. C.; Vasquez, R. P.
1998-01-01
Scanning tunneling spectroscopy was performed at 4.2K on epitaxial thin-film heterostructures comprising YBa2Cu3O7 and La0.7Ca0.3MnO3, to study the microscopic effects of spin-polarized quasiparticle injection from the half-metallic ferromagnetic manganite on the high-Tc cuprate superconductor.
Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon
2015-01-01
Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between and is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc. PMID:26206417
NASA Astrophysics Data System (ADS)
Biswas, Tutul; Kanti Ghosh, Tarun
2018-02-01
We consider the α-T 3 model which provides a smooth crossover between the honeycomb lattice with pseudospin 1/2 and the dice lattice with pseudospin 1 through the variation of a parameter α. We study the dynamics of a wave packet representing a quasiparticle in the α-T3 model with zero and finite transverse magnetic field. For zero field, it is shown that the wave packet undergoes a transient zitterbewegung (ZB). Various features of ZB depending on the initial pseudospin polarization of the wave packet have been revealed. For an intermediate value of the parameter α i.e. for 0<α<1 the resulting ZB consists of two distinct frequencies when the wave packet was located initially in rim site. However, the wave packet exhibits single frequency ZB for α=0 and α=1 . It is also unveiled that the frequency of ZB corresponding to α=1 gets exactly half of that corresponding to the α=0 case. On the other hand, when the initial wave packet was in hub site, the ZB consists of only one frequency for all values of α. Using stationary phase approximation, we find analytical expression of velocity average which can be used to extract the associated timescale over which the transient nature of ZB persists. On the contrary, the wave packet undergoes permanent ZB in presence of a transverse magnetic field. Due to the presence of a large number of Landau energy levels, the oscillations in ZB appear to be much more complicated. The oscillation pattern depends significantly on the initial pseudospin polarization of the wave packet. Furthermore, it is revealed that the number of the frequency components involved in ZB depends on the parameter α.
Biswas, Tutul; Kanti Ghosh, Tarun
2018-01-22
We consider the α-T 3 model which provides a smooth crossover between the honeycomb lattice with pseudospin 1/2 and the dice lattice with pseudospin 1 through the variation of a parameter α. We study the dynamics of a wave packet representing a quasiparticle in the α-T 3 model with zero and finite transverse magnetic field. For zero field, it is shown that the wave packet undergoes a transient zitterbewegung (ZB). Various features of ZB depending on the initial pseudospin polarization of the wave packet have been revealed. For an intermediate value of the parameter α i.e. for [Formula: see text] the resulting ZB consists of two distinct frequencies when the wave packet was located initially in rim site. However, the wave packet exhibits single frequency ZB for [Formula: see text] and [Formula: see text]. It is also unveiled that the frequency of ZB corresponding to [Formula: see text] gets exactly half of that corresponding to the [Formula: see text] case. On the other hand, when the initial wave packet was in hub site, the ZB consists of only one frequency for all values of α. Using stationary phase approximation, we find analytical expression of velocity average which can be used to extract the associated timescale over which the transient nature of ZB persists. On the contrary, the wave packet undergoes permanent ZB in presence of a transverse magnetic field. Due to the presence of a large number of Landau energy levels, the oscillations in ZB appear to be much more complicated. The oscillation pattern depends significantly on the initial pseudospin polarization of the wave packet. Furthermore, it is revealed that the number of the frequency components involved in ZB depends on the parameter α.
In Vitro Tissue Differentiation using Dynamics of Tissue Mechanical Properties
NASA Astrophysics Data System (ADS)
Lin, Wei-Chiang; Phillips, Paul J.
2002-03-01
Dynamics of tissue mechanical properties of various human tissue types were studied at macroscopic as well as microscopic level in vitro. This study was conducted to enable the development of a feedback system based on dynamics of tissue mechanical properties for intraoperative guidance for tumor treatment (e.g., RF ablation of liver tumor) and noninvasive tumor localization. Human liver tissues, including normal, cancerous, and cirrhotic tissues, were obtained from patients receiving liver transplant or tumor resection at Vanderbilt University Medical Center with the approval of the Vanderbilt Institutional Review Board. Tissue samples, once resected from the patients, were snap-frozen using liquid nitrogen and stored at -70 oC. Measurements of the mechanical properties of these tissue samples were conducted at the University of Tennessee at Knoxville. Dynamics of tissue mechanical properties were measured from both native and thermally coagulated tissue samples at macroscopic and microscopic level. Preliminary results suggest the dynamics of mechanical properties of normal liver tissues are very different from those of cancerous liver tissues. The correlation between the dynamics of mechanical properties at macroscopic level and those at microscopic level is currently under investigation.
Low-lying dipole modes in 26,28Ne in the quasiparticle relativistic random phase approximation
NASA Astrophysics Data System (ADS)
Cao, Li-Gang; Ma, Zhong-Yu
2005-03-01
The low-lying isovector dipole strengths in the neutron-rich nuclei 26Ne and 28Ne are investigated in the quasiparticle relativistic random phase approximation. Nuclear ground-state properties are calculated in an extended relativistic mean field theory plus Bardeen-Cooper-Schrieffer (BCS) method where the contribution of the resonant continuum to pairing correlations is properly treated. Numerical calculations are tested in the case of isovector dipole and isoscalar quadrupole modes in the neutron-rich nucleus 22O. It is found that in the present calculation, low-lying isovector dipole strengths at Ex<10MeV in nuclei 26Ne and 26Ne exhaust about 4.9% and 5.8% of the Thomas-Reiche-Kuhn dipole sum rule, respectively. The centroid energy of the low-lying dipole excitation is located at 8.3 MeV in 26Ne and 7.9 MeV in 28Ne.
NASA Astrophysics Data System (ADS)
Mukhopadhyay, Saikat; Bansal, Dipanshu; Delaire, Olivier; Perrodin, Didier; Bourret-Courchesne, Edith; Singh, David J.; Lindsay, Lucas
2017-09-01
Strongly anharmonic phonon properties of CuCl are investigated with inelastic neutron-scattering measurements and first-principles simulations. An unusual quasiparticle spectral peak emerges in the phonon density of states with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity of CuCl is extremely low and exhibits anomalous, nonmonotonic pressure dependence. We show how this behavior arises from the structure of the phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. These results demonstrate the importance of considering intrinsic phonon-dispersion structure toward understanding scattering processes and designing new ultralow thermal conductivity materials.
Nonequilibrium optical control of dynamical states in superconducting nanowire circuits.
Madan, Ivan; Buh, Jože; Baranov, Vladimir V; Kabanov, Viktor V; Mrzel, Aleš; Mihailovic, Dragan
2018-03-01
Optical control of states exhibiting macroscopic phase coherence in condensed matter systems opens intriguing possibilities for materials and device engineering, including optically controlled qubits and photoinduced superconductivity. Metastable states, which in bulk materials are often associated with the formation of topological defects, are of more practical interest. Scaling to nanosize leads to reduced dimensionality, fundamentally changing the system's properties. In one-dimensional superconducting nanowires, vortices that are present in three-dimensional systems are replaced by fluctuating topological defects of the phase. These drastically change the dynamical behavior of the superconductor and introduce dynamical periodic long-range ordered states when the current is driven through the wire. We report the control and manipulation of transitions between different dynamically stable states in superconducting δ 3 -MoN nanowire circuits by ultrashort laser pulses. Not only can the transitions between different dynamically stable states be precisely controlled by light, but we also discovered new photoinduced hidden states that cannot be reached under near-equilibrium conditions, created while laser photoexcited quasi-particles are outside the equilibrium condition. The observed switching behavior can be understood in terms of dynamical stabilization of various spatiotemporal periodic trajectories of the order parameter in the superconductor nanowire, providing means for the optical control of the superconducting phase with subpicosecond control of timing.
NASA Astrophysics Data System (ADS)
Tomczak, Jan M.; Casula, M.; Miyake, T.; Biermann, S.
2014-10-01
The very first dynamical implementation of the combined GW and dynamical mean-field scheme "G W + DMFT " for a real material was achieved recently [Tomczak et al., Europhys. Lett. 100, 67001 (2012), 10.1209/0295-5075/100/67001], and applied to the ternary transition metal oxide SrVO3. Here, we review and extend that work, giving not only a detailed account of full G W + DMFT calculations, but also discussing and testing simplified approximate schemes. We give insights into the nature of exchange and correlation effects: dynamical renormalizations in the Fermi liquid regime of SrVO3 are essentially local, and nonlocal correlations mainly act to screen the Fock exchange term. The latter substantially widens the quasiparticle band structure, while the band narrowing induced by the former is accompanied by a spectral weight transfer to higher energies. Most interestingly, the exchange broadening is more pronounced in the unoccupied part of the spectrum than in the occupied one. In addition, shorter lifetimes for unoccupied states further contribute to making the corrections to the Kohn-Sham band structure asymmetric with respect to the chemical potential. As a result, the G W + DMFT electronic structure of SrVO3 resembles the conventional density functional based dynamical mean-field (DFT + DMFT ) description for occupied states but is profoundly modified in the empty part. Our work leads to a reinterpretation of inverse photoemission spectroscopy (IPES) data. Indeed, we assign a prominent peak at about 2.7 eV dominantly to eg states, rather than to an upper Hubbard band of t2 g character. Similar surprises can be expected for other transition metal oxides. This prediction urgently calls for more detailed investigations of conduction band states in correlated materials.
NASA Astrophysics Data System (ADS)
Shi, Guangsha; Kioupakis, Emmanouil
2018-02-01
We apply density functional and many-body perturbation theory calculations to consistently determine and parameterize the relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn, and predict the Seebeck coefficient as a function of doping and temperature. The quasiparticle band gaps, including spin-orbit coupling effects, are determined to be 0.728 eV, 0.555 eV, and 0.142 eV for Mg2Si, Mg2Ge, and Mg2Sn, respectively. The inclusion of the semicore electrons of Mg, Ge, and Sn in the valence is found to be important for the accurate determination of the band gaps of Mg2Ge and Mg2Sn. We also developed a Luttinger-Kohn Hamiltonian and determined a set of band parameters to model the near-edge relativistic quasiparticle band structure consistently for all three compounds that can be applied for thermoelectric device simulations. Our calculated values for the Seebeck coefficient of all three compounds are in good agreement with the available experimental data for a broad range of temperatures and carrier concentrations. Our results indicate that quasiparticle corrections are necessary for the accurate determination of Seebeck coefficients at high temperatures at which bipolar transport becomes important.
NASA Astrophysics Data System (ADS)
Kaczmarczyk, Jan; Spałek, Jozef
2009-06-01
Paired state of nonstandard quasiparticles is analyzed in detail in two model situations. Namely, we consider the Cooper-pair bound state and the condensed phase of an almost localized Fermi liquid composed of quasiparticles in a narrow band with the spin-dependent masses and an effective field, both introduced earlier and induced by strong electronic correlations. Each of these novel characteristics is calculated in a self-consistent manner. We analyze the bound states as a function of Cooper-pair momentum |Q| in applied magnetic field in the strongly Pauli limiting case (i.e., when the orbital effects of applied magnetic field are disregarded). The spin-direction dependence of the effective mass makes the quasiparticles comprising Cooper-pair spin distinguishable in the quantum-mechanical sense, whereas the condensed gas of pairs may still be regarded as composed of identical entities. The Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) condensed phase of moving pairs is by far more robust in the applied field for the case with spin-dependent masses than in the situation with equal masses of quasiparticles. Relative stability of the Bardeen-Cooper-Schrieffer vs FFLO phase is analyzed in detail on temperature-applied field plane. Although our calculations are carried out for a model situation, we can conclude that the spin-dependent masses should play an important role in stabilizing high-field low-temperature unconventional superconducting phases (FFLO, for instance) in systems such as CeCoIn5 , organic metals, and possibly others.
NASA Astrophysics Data System (ADS)
Perakis, Ilias; Kapetanakis, Myron; Lingos, Panagiotis; Barmparis, George; Patz, A.; Li, T.; Wang, Jigang
We study the role of spin quantum fluctuations driven by photoelectrons during 100fs photo-excitation of colossal magneto-resistive manganites in anti-ferromagnetic (AFM) charge-ordered insulating states with Jahn-Teller distortions. Our mean-field calculation of composite fermion excitations demonstrates that spin fluctuations reduce the energy gap by quasi-instantaneously deforming the AFM background, thus opening a conductive electronic pathway via FM correlation. We obtain two quasi-particle bands with distinct spin-charge dynamics and dependence on lattice distortions. To connect with fs-resolved spectroscopy experiments, we note the emergence of fs magnetization in the low-temperature magneto-optical signal, with threshold dependence on laser intensity characteristic of a photo-induced phase transition. Simultaneously, the differential reflectivity shows bi-exponential relaxation, with fs component, small at low intensity, exceeding ps component above threshold for fs AFM-to-FM switching. This suggests the emergence of a non-equilibrium metallic FM phase prior to establishment of a new lattice structure, linked with quantum magnetism via spin/charge/lattice couplings for weak magnetic fields.
Quasiparticle mass enhancement close to the quantum critical point in BaFe2(As(1-x)P(x))2.
Walmsley, P; Putzke, C; Malone, L; Guillamón, I; Vignolles, D; Proust, C; Badoux, S; Coldea, A I; Watson, M D; Kasahara, S; Mizukami, Y; Shibauchi, T; Matsuda, Y; Carrington, A
2013-06-21
We report a combined study of the specific heat and de Haas-van Alphen effect in the iron-pnictide superconductor BaFe2(As(1-x)P(x))2. Our data when combined with results for the magnetic penetration depth give compelling evidence for the existence of a quantum critical point close to x=0.30 which affects the majority of the Fermi surface by enhancing the quasiparticle mass. The results show that the sharp peak in the inverse superfluid density seen in this system results from a strong increase in the quasiparticle mass at the quantum critical point.
Charge dynamics of the antiferromagnetically ordered Mott insulator
NASA Astrophysics Data System (ADS)
Han, Xing-Jie; Liu, Yu; Liu, Zhi-Yuan; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xie, Zhi-Yuan; Normand, B.; Xiang, Tao
2016-10-01
We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon-doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon-doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott-Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the
Dynamical properties of magnetized two-dimensional one-component plasma
NASA Astrophysics Data System (ADS)
Dubey, Girija S.; Gumbs, Godfrey; Fessatidis, Vassilios
2018-05-01
Molecular dynamics simulation are used to examine the effect of a uniform perpendicular magnetic field on a two-dimensional interacting electron system. In this simulation we include the effect of the magnetic field classically through the Lorentz force. Both the Coulomb and the magnetic forces are included directly in the electron dynamics to study their combined effect on the dynamical properties of the 2D system. Results are presented for the velocity autocorrelation function and the diffusion constants in the presence and absence of an external magnetic field. Our simulation results clearly show that the external magnetic field has an effect on the dynamical properties of the system.
Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon
2015-07-24
Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x(2)-y(2)) and d(3z(2)-r(2)) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc.
Dynamical properties of water in living cells
NASA Astrophysics Data System (ADS)
Piazza, Irina; Cupane, Antonio; Barbier, Emmanuel L.; Rome, Claire; Collomb, Nora; Ollivier, Jacques; Gonzalez, Miguel A.; Natali, Francesca
2018-02-01
With the aim of studying the effect of water dynamics on the properties of biological systems, in this paper, we present a quasi-elastic neutron scattering study on three different types of living cells, differing both in their morphological and tumor properties. The measured scattering signal, which essentially originates from hydrogen atoms present in the investigated systems, has been analyzed using a global fitting strategy using an optimized theoretical model that considers various classes of hydrogen atoms and allows disentangling diffusive and rotational motions. The approach has been carefully validated by checking the reliability of the calculation of parameters and their 99% confidence intervals. We demonstrate that quasi-elastic neutron scattering is a suitable experimental technique to characterize the dynamics of intracellular water in the angstrom/picosecond space/time scale and to investigate the effect of water dynamics on cellular biodiversity.
NASA Astrophysics Data System (ADS)
Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A.; Jain, Manish; Cohen, Marvin L.; Louie, Steven G.
2012-06-01
BerkeleyGW is a massively parallel computational package for electron excited-state properties that is based on the many-body perturbation theory employing the ab initio GW and GW plus Bethe-Salpeter equation methodology. It can be used in conjunction with many density-functional theory codes for ground-state properties, including PARATEC, PARSEC, Quantum ESPRESSO, SIESTA, and Octopus. The package can be used to compute the electronic and optical properties of a wide variety of material systems from bulk semiconductors and metals to nanostructured materials and molecules. The package scales to 10 000s of CPUs and can be used to study systems containing up to 100s of atoms. Program summaryProgram title: BerkeleyGW Catalogue identifier: AELG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Open source BSD License. See code for licensing details. No. of lines in distributed program, including test data, etc.: 576 540 No. of bytes in distributed program, including test data, etc.: 110 608 809 Distribution format: tar.gz Programming language: Fortran 90, C, C++, Python, Perl, BASH Computer: Linux/UNIX workstations or clusters Operating system: Tested on a variety of Linux distributions in parallel and serial as well as AIX and Mac OSX RAM: (50-2000) MB per CPU (Highly dependent on system size) Classification: 7.2, 7.3, 16.2, 18 External routines: BLAS, LAPACK, FFTW, ScaLAPACK (optional), MPI (optional). All available under open-source licenses. Nature of problem: The excited state properties of materials involve the addition or subtraction of electrons as well as the optical excitations of electron-hole pairs. The excited particles interact strongly with other electrons in a material system. This interaction affects the electronic energies, wavefunctions and lifetimes. It is well known that ground-state theories, such as standard methods
A general numerical analysis of the superconducting quasiparticle mixer
NASA Technical Reports Server (NTRS)
Hicks, R. G.; Feldman, M. J.; Kerr, A. R.
1985-01-01
For very low noise millimeter-wave receivers, the superconductor-insulator-superconductor (SIS) quasiparticle mixer is now competitive with conventional Schottky mixers. Tucker (1979, 1980) has developed a quantum theory of mixing which has provided a basis for the rapid improvement in SIS mixer performance. The present paper is concerned with a general method of numerical analysis for SIS mixers which allows arbitrary terminating impedances for all the harmonic frequencies. This analysis provides an approach for an examination of the range of validity of the three-frequency results of the quantum mixer theory. The new method has been implemented with the aid of a Fortran computer program.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Osorio-Guillén, J. M., E-mail: mario.osorio@udea.edu.co; Espinosa-García, W. F.; Grupo de Investigación en Modelamiento y Simulación Computacional, Facultad de Ingenierías, Universidad de San Buenaventura Seccional Medellín, Carrera 56C No 51-110, Medellín
2015-09-07
First-principles quasi-particle theory has been employed to assess catalytic power of graphitic carbon nitride, g-C{sub 3}N{sub 4}, for solar fuel production. A comparative study between g-h-triazine and g-h-heptazine has been carried out taking also into account van der Waals dispersive forces. The band edge potentials have been calculated using a recently developed approach where quasi-particle effects are taken into account through the GW approximation. First, it was found that the description of ground state properties such as cohesive and surface formation energies requires the proper treatment of dispersive interaction. Furthermore, through the analysis of calculated band-edge potentials, it is shownmore » that g-h-triazine has high reductive power reaching the potential to reduce CO{sub 2} to formic acid, coplanar g-h-heptazine displays the highest thermodynamics force toward H{sub 2}O/O{sub 2} oxidation reaction, and corrugated g-h-heptazine exhibits a good capacity for both reactions. This rigorous theoretical study shows a route to further improve the catalytic performance of g-C{sub 3}N{sub 4}.« less
Electronic and optical properties of novel carbon allotropes
Wang, Zhanyu; Dong, F.; Shen, B.; ...
2016-01-22
The vibrational properties, electronic structures and optical properties of novel carbon allotropes, such as monolayer penta-graphene (PG), double-layer PG and T12-carbon, were studied by first-principles calculations. Results of phonon calculations demonstrate that these exotic carbon allotropes are dynamically stable. The bulk T12 phase is an indirect-gap semiconductor having a quasiparticle (QP) bandgap of ~5.19 eV. When the bulk material transforms to a two-dimensional (2D) phase, the monolayer and double-layer PG become quasi-direct gap semiconductors with smaller QP bandgaps of ~4.48 eV and ~3.67 eV, respectively. Furthermore, the partial charge density analysis indicates that the 2D phases retain part of themore » electronic characteristics of the T12 phase. The linear photon energy-dependent dielectric functions and related optical properties including refractive index, extinction coefficient, absorption spectrum, reflectivity, and energy-loss spectrum were also computed and discussed. Additionally, the chemical stability of monolayer PG and the electronic and optical properties of double-side hydrogenated monolayer PG were also investigated. Furthermore, the results obtained from our calculations are beneficial to practical applications of these exotic carbon allotropes in optoelectronics and electronics.« less
Gauge invariance of fractionally charged quasiparticles and hidden topological Zn symmetry
NASA Astrophysics Data System (ADS)
Wu, Yong-Shi; Hatsugai, Yasuhiro; Kohmoto, Mahito
1991-02-01
Using the braid-group formalism we study the consequences of gauge invariance for fractionally charged anyonic quasiparticles in a two-dimensional multiply connected system. It is shown that gauge invariance requires multicomponent wave functions, and leads to the emergence of a hidden topological Zn symmetry with associated quantum number and unavoidable occurrence of level crossings for many-body eigenstates. In certain situations, it relates the fractional charge to anyon statistics. The implications for the fractional quantum Hall effect are also discussed.
Mass properties measurement system dynamics
NASA Technical Reports Server (NTRS)
Doty, Keith L.
1993-01-01
The MPMS mechanism possess two revolute degrees-of-freedom and allows the user to measure the mass, center of gravity, and the inertia tensor of an unknown mass. The dynamics of the Mass Properties Measurement System (MPMS) from the Lagrangian approach to illustrate the dependency of the motion on the unknown parameters.
NASA Astrophysics Data System (ADS)
Delaire, Olivier
Modern neutron and x-ray spectrometers can map phonon dispersions and scattering rates throughout reciprocal space, providing unique insights into microscopic scattering mechanisms, including anharmonicity, electron-phonon coupling, or scattering by defects and nanostructures. In addition, first-principles simulations enable the rationalization of extensive experimental datasets. In particular, ab-initio molecular dynamics simulations can capture striking effects of anharmonicity near lattice instabilities. A number of high-performance thermoelectric materials are found in the vicinity of lattice instabilities, including Pb chalcogenides PbX, SnSe, Cu2Se, among others. The large phonon anharmonicity found in such compounds suppresses the lattice thermal conductivity, enhancing their thermoelectric efficiency. In this presentation, I will present results from our investigations of phonons in these materials using neutron and x-ray scattering combined with first-principles simulations, focusing on anharmonic effects near lattice instabilities. I will show how strong anharmonicity can lead to emergent quasiparticles qualitatively different from harmonic phonons, which we probe in our measurements and simulations of the phonon self-energy. Commonalities between systems will be highlighted, including connections between strong anharmonicity and the electronic structure. Funding from US DOE, Office of Basic Energy Sciences, Materials Science and Engineering Division, Office of Science Early Career program (DE-SC0016166), and as part of the S3TEC EFRC (DE-SC0001299).
Quasiparticle Scattering off Defects and Possible Bound States in Charge-Ordered YBa_{2}Cu_{3}O_{y}.
Zhou, R; Hirata, M; Wu, T; Vinograd, I; Mayaffre, H; Krämer, S; Horvatić, M; Berthier, C; Reyes, A P; Kuhns, P L; Liang, R; Hardy, W N; Bonn, D A; Julien, M-H
2017-01-06
We report the NMR observation of a skewed distribution of ^{17}O Knight shifts when a magnetic field quenches superconductivity and induces long-range charge-density-wave (CDW) order in YBa_{2}Cu_{3}O_{y}. This distribution is explained by an inhomogeneous pattern of the local density of states N(E_{F}) arising from quasiparticle scattering off, yet unidentified, defects in the CDW state. We argue that the effect is most likely related to the formation of quasiparticle bound states, as is known to occur, under specific circumstances, in some metals and superconductors (but not in the CDW state, in general, except for very few cases in 1D materials). These observations should provide insight into the microscopic nature of the CDW, especially regarding the reconstructed band structure and the sensitivity to disorder.
NASA Astrophysics Data System (ADS)
Stephenson, Anna; Gomes, Kenjiro K.; Ko, Wonhee; Mar, Warren; Manoharan, Hari C.
2014-03-01
Molecular graphene is a nanoscale artificial lattice composed of carbon monoxide molecules arranged one by one, realizing a dream of exploring exotic quantum materials by design. This assembly is done by atomic manipulation with a scanning tunneling microscope (STM) on a Cu(111) surface. To directly probe the transformation of normal surface state electrons into massless Dirac fermions, we map the momentum space dispersion through the Fourier analysis of quasiparticle scattering maps acquired at different energies with the STM. The Fourier analysis not only bridges the real-space and momentum-space data but also reveals the chiral nature of those quasiparticles, through a set of selection rules of allowed scattering involving the pseudospin and valley degrees of freedom. The graphene-like band structure can be reshaped with simple alterations to the lattice, such as the addition of a strain. We analyze the effect on the momentum space band structure of multiple types of strain on our system. Supported by DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract DE-AC02-76SF00515.
Volume dependent quasiparticle spectral weight in NiS2-xSex system
NASA Astrophysics Data System (ADS)
Marini, C.; Perucchi, A.; Dore, P.; Topwal, D.; Sarma, D. D.; Lupi, S.; Postorino, P.
2012-05-01
We discuss the evolution of Infrared reflectivity at room temperature under various pressures (P) and Se alloying concentration in the strongly correlated NiS2-xSex pyrite. Measurements gave a complete picture of the optical response of the system on approaching the P-induced and Se-induced metallic state. A peculiar non-monotonic (V-shaped) volume dependence was found for the quasiparticle spectral weight of both pure and Se-doped compounds.
Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies
DOE Office of Scientific and Technical Information (OSTI.GOV)
Salerno, K. Michael; Agrawal, Anupriya; Perahia, Dvora
2016-02-05
Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly modeled. In this paper, we probe the degree of coarse graining required to simultaneously retain significant atomistic details and access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using linear polyethylene as a model system, we probe how the coarse-graining scale affects the measured dynamics. Iterative Boltzmann inversion ismore » used to derive coarse-grained potentials with 2–6 methylene groups per coarse-grained bead from a fully atomistic melt simulation. We show that atomistic detail is critical to capturing large-scale dynamics. Finally, using these models we simulate polyethylene melts for times over 500 μs to study the viscoelastic properties of well-entangled polymer melts.« less
Pelzer, Kenley M.; Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; ...
2017-01-01
Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. Here we propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower thanmore » most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. In conclusion, much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Lastly, our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs.« less
Nonequilibrium optical control of dynamical states in superconducting nanowire circuits
Madan, Ivan; Baranov, Vladimir V.
2018-01-01
Optical control of states exhibiting macroscopic phase coherence in condensed matter systems opens intriguing possibilities for materials and device engineering, including optically controlled qubits and photoinduced superconductivity. Metastable states, which in bulk materials are often associated with the formation of topological defects, are of more practical interest. Scaling to nanosize leads to reduced dimensionality, fundamentally changing the system’s properties. In one-dimensional superconducting nanowires, vortices that are present in three-dimensional systems are replaced by fluctuating topological defects of the phase. These drastically change the dynamical behavior of the superconductor and introduce dynamical periodic long-range ordered states when the current is driven through the wire. We report the control and manipulation of transitions between different dynamically stable states in superconducting δ3-MoN nanowire circuits by ultrashort laser pulses. Not only can the transitions between different dynamically stable states be precisely controlled by light, but we also discovered new photoinduced hidden states that cannot be reached under near-equilibrium conditions, created while laser photoexcited quasi-particles are outside the equilibrium condition. The observed switching behavior can be understood in terms of dynamical stabilization of various spatiotemporal periodic trajectories of the order parameter in the superconductor nanowire, providing means for the optical control of the superconducting phase with subpicosecond control of timing. PMID:29670935
DOE Office of Scientific and Technical Information (OSTI.GOV)
Appalakondaiah, S.; Vaitheeswaran, G., E-mail: gvaithee@gmail.com; Lebègue, S.
The effects of pressure on the structural and vibrational properties of the layered molecular crystal 1,1-diamino-2,2-dinitroethelene (FOX-7) are explored by first principles calculations. We observe significant changes in the calculated structural properties with different corrections for treating van der Waals interactions to Density Functional Theory (DFT), as compared with standard DFT functionals. In particular, the calculated ground state lattice parameters, volume and bulk modulus obtained with Grimme's scheme, are found to agree well with experiments. The calculated vibrational frequencies demonstrate the dependence of the intra and inter-molecular interactions on FOX-7 under pressure. In addition, we also found a significant incrementmore » in the N–H...O hydrogen bond strength under compression. This is explained by the change in bond lengths between nitrogen, hydrogen, and oxygen atoms, as well as calculated IR spectra under pressure. Finally, the computed band gap is about 2.3 eV with generalized gradient approximation, and is enhanced to 5.1 eV with the GW approximation, which reveals the importance of performing quasiparticle calculations in high energy density materials.« less
NASA Technical Reports Server (NTRS)
Rippert, Edward D.; Ketterson, John B.; Chen, Jun; Song, Shenian; Lomatch, Susanne; Maglic, Stevan R.; Thomas, Christopher; Cheida, M. A.; Ulmer, Melville P.
1992-01-01
An engineered structure is proposed that can alleviate quasi-particle recombination losses via the existence of a phononic band gap that overlaps the 2-Delta energy of phonons produced during recombination of quasi-particles. Attention is given to a 1D Kronig-Penny model for phonons normally incident to the layers of a multilayered superconducting tunnel junction as an idealized example. A device with a high density of Bragg resonances is identified as desirable; both Nb/Si and NbN/SiN superlattices have been produced, with the latter having generally superior performance.
Evolution properties of the community members for dynamic networks
NASA Astrophysics Data System (ADS)
Yang, Kai; Guo, Qiang; Li, Sheng-Nan; Han, Jing-Ti; Liu, Jian-Guo
2017-03-01
The collective behaviors of community members for dynamic social networks are significant for understanding evolution features of communities. In this Letter, we empirically investigate the evolution properties of the new community members for dynamic networks. Firstly, we separate data sets into different slices, and analyze the statistical properties of new members as well as communities they joined in for these data sets. Then we introduce a parameter φ to describe community evolution between different slices and investigate the dynamic community properties of the new community members. The empirical analyses for the Facebook, APS, Enron and Wiki data sets indicate that both the number of new members and joint communities increase, the ratio declines rapidly and then becomes stable over time, and most of the new members will join in the small size communities that is s ≤ 10. Furthermore, the proportion of new members in existed communities decreases firstly and then becomes stable and relatively small for these data sets. Our work may be helpful for deeply understanding the evolution properties of community members for social networks.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Claudio, Tania; Stein, Niklas; Petermann, Nils
2015-10-26
The lattice dynamics and thermoelectric properties of sintered phosphorus-doped nanostructured silicon–germanium alloys obtained by gas-phase synthesis were studied. Measurements of the density of phonon states by inelastic neutron scattering were combined with measurements of the elastic constants and the low-temperature heat capacity. A strong influence of nanostructuring and alloying on the lattice dynamics was observed. The thermoelectric transport properties of samples with different doping as well as samples sintered at different temperature were characterized between room temperature and 1000°C. A peak figure of merit zT=0.88 at 900°C is observed and is comparatively insensitive to the aforementioned parameter variations.
Inamdar, Shaukatali N; Ingole, Pravin P; Haram, Santosh K
2008-12-01
Band structure parameters such as the conduction band edge, the valence band edge and the quasi-particle gap of diffusing CdSe quantum dots (Q-dots) of various sizes were determined using cyclic voltammetry. These parameters are strongly dependent on the size of the Q-dots. The results obtained from voltammetric measurements are compared to spectroscopic and theoretical data. The fit obtained to the reported calculations based on the semi-empirical pseudopotential method (SEPM)-especially in the strong size-confinement region, is the best reported so far, according to our knowledge. For the smallest CdSe Q-dots, the difference between the quasi-particle gap and the optical band gap gives the electron-hole Coulombic interaction energy (J(e1,h1)). Interband states seen in the photoluminescence spectra were verified with cyclic voltammetry measurements.
Relaxation of a High-Energy Quasiparticle in a One-Dimensional Bose Gas
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tan, Shina; Glazman, Leonid I.; Pustilnik, Michael
2010-08-27
We evaluate the relaxation rate of high-energy quasiparticles in a weakly interacting one-dimensional Bose gas. Unlike in higher dimensions, the rate is a nonmonotonic function of temperature, with a maximum at the crossover to the state of suppressed density fluctuations. At the maximum, the relaxation rate may significantly exceed its zero-temperature value. We also find the dependence of the differential inelastic scattering rate on the transferred energy. This rate yields information about temperature dependence of local pair correlations.
Direct Observation of a Majorana Quasiparticle Heat Capacity in 3He
NASA Astrophysics Data System (ADS)
Bunkov, Y. M.
2014-04-01
The Majorana fermion, which acts as its own antiparticle, was suggested by Majorana in 1937 (Nuovo Cimento 14:171). While no stable particle with Majorana properties has yet been observed, Majorana quasiparticles (QP) may exist at the boundaries of topological insulators. Here we report the preliminary results of direct observation of Majorana QPs by a precise measurements of superfluid 3He heat capacity. The bulk superfluid 3He heat capacity falls exponentially with cooling at the temperatures significantly below the energy gap. Owing to the zero energy gap mode the Majorana heat capacity falls in a power law. The Majorana heat capacity can be larger than bulk one at some temperature, which depends on surface to volume ratio of the experimental cell. Some times ago we developed the Dark matter particles detector (DMD) on a basis of superfluid 3He which is working at the frontier of extremely low temperatures (Winkelmann et al., Nucl. Instrum. Meth. A 559:384-386, 2006). Here we report the observation of zero gap mode of Majorana, follows from the new analyses of DMD heat capacity, published early. We have found a 10 % deviation from the bulk superfluid 3He heat capacity at the temperature of 135 μK. This deviation corresponds well to the theoretical value for Majorana heat capacity at such low temperature. (Note, there were no fitting parameters).
Unconventional Fermi surface associated with novel quasiparticles in the Kondo insulator SmB6
NASA Astrophysics Data System (ADS)
Sebastian, Suchitra
The search for a Fermi surface in the absence of a Fermi liquid has endured for decades. We present evidence for the realisation of such a state in the Kondo Insulator SmB6, which is an extreme example of Fermi liquid breakdown. Experimental results are presented from complementary techniques including quantum oscillations, specific heat capacity, thermal conductivity, and oscillatory entropy down to low temperatures. An experimental comparison is made with alternative theoretical models that associate novel quasiparticles with the unconventional Fermi surface we uncover in SmB6. A new paradigm for the realisation of a Fermi surface in the absence of conventional quasiparticles is proposed in the vicinity of a Kondo insulator transition. This work was performed in collaboration with M. Hartstein, W. H. Toews, Y.-T. Hsu, B. Zeng, X. Chen, M. Ciomaga Hatnean, Q. R. Zhang, S. Nakamura, A. S. Padgett, G. Rodway-Gant, J. Berk, M. K. Kingston, G. H. Zhang, M. K. Chan, S. Yamashita, T. Sakakibara, Y. Takano, J. -H. Park, L. Balicas, N. Harrison, N. Shitsevalova, G. Balakrishnan, G. G. Lonzarich, R. W. Hill, and M. Sutherland.
Quasiparticle scattering in type-II Weyl semimetal MoTe2
NASA Astrophysics Data System (ADS)
Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki
2018-03-01
The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe2) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to further understanding of the topological electronic structure of type-II Weyl semimetal MoTe2.
Quasiparticle scattering in type-II Weyl semimetal MoTe2.
Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki
2018-02-15
The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe 2 ) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to further understanding of the topological electronic structure of type-II Weyl semimetal MoTe 2 .
Decompositions of large-scale biological systems based on dynamical properties.
Soranzo, Nicola; Ramezani, Fahimeh; Iacono, Giovanni; Altafini, Claudio
2012-01-01
Given a large-scale biological network represented as an influence graph, in this article we investigate possible decompositions of the network aimed at highlighting specific dynamical properties. The first decomposition we study consists in finding a maximal directed acyclic subgraph of the network, which dynamically corresponds to searching for a maximal open-loop subsystem of the given system. Another dynamical property investigated is strong monotonicity. We propose two methods to deal with this property, both aimed at decomposing the system into strongly monotone subsystems, but with different structural characteristics: one method tends to produce a single large strongly monotone component, while the other typically generates a set of smaller disjoint strongly monotone subsystems. Original heuristics for the methods investigated are described in the article. altafini@sissa.it
Dynamic properties of successful smiles
Helwig, Nathaniel E.; Sohre, Nick E.; Ruprecht, Mark R.; Guy, Stephen J.; Lyford-Pike, Sofía
2017-01-01
Facial expression of emotion is a foundational aspect of social interaction and nonverbal communication. In this study, we use a computer-animated 3D facial tool to investigate how dynamic properties of a smile are perceived. We created smile animations where we systematically manipulated the smile’s angle, extent, dental show, and dynamic symmetry. Then we asked a diverse sample of 802 participants to rate the smiles in terms of their effectiveness, genuineness, pleasantness, and perceived emotional intent. We define a “successful smile” as one that is rated effective, genuine, and pleasant in the colloquial sense of these words. We found that a successful smile can be expressed via a variety of different spatiotemporal trajectories, involving an intricate balance of mouth angle, smile extent, and dental show combined with dynamic symmetry. These findings have broad applications in a variety of areas, such as facial reanimation surgery, rehabilitation, computer graphics, and psychology. PMID:28658294
Dynamic Properties of Human Tympanic Membrane Based on Frequency-Temperature Superposition
Zhang, Xiangming; Gan, Rong Z.
2012-01-01
The human tympanic membrane (TM) transfers sound in the ear canal into the mechanical vibration of the ossicles in the middle ear. The dynamic properties of TM directly affect the middle ear transfer function. The static or quasi-static mechanical properties of TM were reported in the literature, but the dynamic properties of TM over the auditory frequency range are very limited. In this paper, a new method was developed to measure the dynamic properties of human TM using the Dynamic-Mechanical Analyzer (DMA). The test was conducted at the frequency range of 1 to 40 Hz at three different temperatures: 5°, 25° and 37°C. The frequency-temperature superposition was applied to extend the testing frequency range to a much higher level (at least 3800 Hz). The generalized linear solid model was employed to describe the constitutive relation of the TM. The storage modulus E’ and the loss modulus E” were obtained from 11 specimens. The mean storage modulus was 15.1 MPa at 1 Hz and 27.6 MPa at 3800 Hz. The mean loss modulus was 0.28 MPa at 1 Hz and 4.1 MPa at 3800 Hz. The results show that the frequency-temperature superposition is a feasible approach to study the dynamic properties of the ear soft tissues. The dynamic properties of human TM obtained in this study provide a better description of the damping behavior of ear tissues. The properties can be transferred into the finite element (FE) model of the human ear to replace the Rayleigh type damping. The data reported here contribute to the biomechanics of the middle ear and improve the accuracy of the FE model for the human ear. PMID:22820983
Transport Signatures of Quasiparticle Poisoning in a Majorana Island.
Albrecht, S M; Hansen, E B; Higginbotham, A P; Kuemmeth, F; Jespersen, T S; Nygård, J; Krogstrup, P; Danon, J; Flensberg, K; Marcus, C M
2017-03-31
We investigate effects of quasiparticle poisoning in a Majorana island with strong tunnel coupling to normal-metal leads. In addition to the main Coulomb blockade diamonds, "shadow" diamonds appear, shifted by 1e in gate voltage, consistent with transport through an excited (poisoned) state of the island. Comparison to a simple model yields an estimate of parity lifetime for the strongly coupled island (∼1 μs) and sets a bound for a weakly coupled island (>10 μs). Fluctuations in the gate-voltage spacing of Coulomb peaks at high field, reflecting Majorana hybridization, are enhanced by the reduced lever arm at strong coupling. When converted from gate voltage to energy units, fluctuations are consistent with previous measurements.
Source conductance scaling for high frequency superconducting quasiparticle receivers
NASA Technical Reports Server (NTRS)
Ke, Qing; Feldman, M. J.
1992-01-01
It has been suggested that the optimum source conductance G(sub s) for the superconductor-insulator-superconductor (SIS) quasiparticle mixer should have a l/f dependence. This would imply that the critical current density of SIS junctions used for mixing should increase as frequency squared, a stringent constraint on the design of submillimeter SIS mixers, rather than in simple proportion to frequency as previously believed. We have used Tucker's quantum theory of mixing for extensive numerical calculations to determine G(sub s) for an optimized SIS receiver. We find that G(sub s) is very roughly independent of frequency (except for the best junctions at low frequency), and discuss the implications of our results for the design of submillimeter SIS mixers.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Demján, Tamás; Institute for Solid State Physics and Optics, Wigner Research Center for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest; Vörös, Márton
2014-08-14
Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G{sub 0}W{sub 0} and G{sub 0}W{sub 0}+BSEmore » approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G{sub 0}W{sub 0}+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G{sub 0}W{sub 0} quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies.« less
Torchi, Andrea; Bochicchio, Davide; Pavan, Giovanni M
2018-04-12
The rational design of supramolecular polymers that can adapt or respond in time to specific stimuli in a controlled way is interesting for many applications, but this requires understanding the molecular factors that make the material faster or slower in responding to the stimulus. To this end, it is necessary to study the dynamic adaptive properties at submolecular resolution, which is difficult at an experimental level. Here we show coarse-grained molecular dynamics simulations (<5 Å resolution) demonstrating how the dynamic adaptivity and stimuli responsiveness of a supramolecular polymer is controlled by the intrinsic dynamics of the assembly, which is in turn determined by the structure of the monomers. As a representative case, we focus on a water-soluble 1,3,5-benzenetricarboxamide (BTA) supramolecular polymer incorporating (charged) receptor monomers, experimentally seen to undergo dynamic clustering following the superselective binding to a multivalent recruiter. Our simulations show that the dynamic reorganization of the supramolecular structure proceeds via monomer diffusion on the dynamic fiber surface (exchange within the fiber). Rationally changing the structure of the monomers to make the fiber surface more or less dynamic allows tuning the rate of response to the stimulus and of supramolecular reconfiguration. Simple in silico experiments draw a structure-dynamics-property relationship revealing the key factors underpinning the dynamic adaptivity and stimuli-responsiveness of these supramolecular polymers. We come out with clear evidence that to master the bioinspired properties of these fibers, it is necessary to control their intrinsic dynamics, while the high-resolution of our molecular models permits us to show how.
NASA Astrophysics Data System (ADS)
Sulangi, Miguel Antonio; Zaanen, Jan
2018-04-01
We explore the effects of various kinds of random disorder on the quasiparticle density of states of two-dimensional d -wave superconductors using an exact real-space method, incorporating realistic details known about the cuprates. Random on-site energy and pointlike unitary impurity models are found to give rise to a vanishing DOS at the Fermi energy for narrow distributions and low concentrations, respectively, and lead to a finite, but suppressed, DOS at unrealistically large levels of disorder. Smooth disorder arising from impurities located away from the copper-oxide planes meanwhile gives rise to a finite DOS at realistic impurity concentrations. For the case of smooth disorder whose average potential is zero, a resonance is found at zero energy for the quasiparticle DOS at large impurity concentrations. We discuss the implications of these results on the computed low-temperature specific heat, the behavior of which we find is strongly affected by the amount of disorder present in the system. We also compute the localization length as a function of disorder strength for various types of disorder and find that intermediate- and high-energy states are quasiextended for low disorder, and that states near the Fermi energy are strongly localized and have a localization length that exhibits an unusual dependence on the amount of disorder. We comment on the origin of disorder in the cuprates and provide constraints on these based on known results from scanning tunneling spectroscopy and specific heat experiments.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wojs, Arkadiusz; Institute of Physics, Wroclaw University of Technology, 50-370 Wroclaw,; Quinn, John J.
2000-01-15
The pseudopotentials describing the interactions of quasiparticles in fractional quantum Hall (FQH) states are studied. Rules for the identification of incompressible quantum fluid ground states are found, based upon the form of the pseudopotentials. States belonging to the Jain sequence {nu}=n(1+2pn){sup -1}, where n and p are integers, appear to be the only incompressible states in the thermodynamic limit, although other FQH hierarchy states occur for finite size systems. This explains the success of the composite Fermion picture. (c) 2000 The American Physical Society.
Dynamic and mechanical properties of supported lipid bilayers
NASA Astrophysics Data System (ADS)
Wu, Hsing-Lun; Tsao, Heng-Kwong; Sheng, Yu-Jane
2016-04-01
Supported lipid bilayers (SLBs) offer an excellent model system for investigating the physico-chemical properties of the cell membrane. In this work, dynamic and mechanical properties of SLBs are explored by dissipative particle dynamics simulations for lipids with different architectures (chain length, kink, and asymmetry associated with lipid tails). It is found that the lateral diffusivity (Dx) and flip-flop rate (FF) grow with increasing temperature in both gel and liquid phases and can be described by an Arrhenius-like expression. Three regimes can be clearly identified for symmetric and asymmetric saturated lipids but only two regimes are observed for kinked lipids. Both Dx and FF grow with decreasing tail length and increasing number of kinks. The stretching (KA) and apparent bending (KB) moduli exhibit concave upward curves with temperature and the minima are attained at Tm. In general, the minima of KA and KB decrease with the chain length and increase with number of kinks. The typical relation among the bending modulus, area stretching modulus, and bilayer thickness is still followed, KB = βKAh2 and β is much smaller in the gel phase. The dynamic and mechanical properties of lipids with asymmetric tails are found to situate between their symmetric counterparts.
NASA Astrophysics Data System (ADS)
Glattli, D. C.; Roulleau, P.
2016-08-01
We study the Hanbury Brown and Twiss correlation of electronic quasi-particles injected in a quantum conductor using current noise correlations and we experimentally address the effect of finite temperature. By controlling the relative time of injection of two streams of electrons it is possible to probe the fermionic antibunching, performing the electron analog of the optical Hong Ou Mandel (HOM) experiment. The electrons are injected using voltage pulses with either sine-wave or Lorentzian shape. In the latter case, we propose a set of orthogonal wavefunctions, describing periodic trains of multiply charged electron pulses, which give a simple interpretation to the HOM shot noise. The effect of temperature is then discussed and experimentally investigated. We observe a perfect electron anti-bunching for a large range of temperature, showing that, as recently predicted, thermal mixing of the states does not affect anti-bunching properties, a feature qualitatively different from dephasing. For single charge Lorentzian pulses, we provide experimental evidence of the prediction that the HOM shot noise variation versus the emission time delay is remarkably independent of the temperature.
Strain-dependent dynamic compressive properties of magnetorheological elastomeric foams
NASA Astrophysics Data System (ADS)
Wereley, Norman M.; Perez, Colette; Choi, Young T.
2018-05-01
This paper addresses the strain-dependent dynamic compressive properties (i.e., so-called Payne effect) of magnetorheological elastomeric foams (MREFs). Isotropic MREF samples (i.e., no oriented particle chain structures), fabricated in flat square shapes (nominal size of 26.5 mm x 26.5 mm x 9.5 mm) were synthesized by randomly dispersing micron-sized iron oxide particles (Fe3O4) into a liquid silicone foam in the absence of magnetic field. Five different Fe3O4 particle concentrations of 0, 2.5, 5.0, 7.5, and 10 percent by volume fraction (hereinafter denoted as vol%) were used to investigate the effect of particle concentration on the dynamic compressive properties of the MREFs. The MREFs were sandwiched between two multi-pole flexible plate magnets in order to activate the magnetorheological (MR) strengthening effect. Under two different pre-compression conditions (i.e., 35% and 50%), the dynamic compressive stresses of the MREFs with respect to dynamic strain amplitudes (i.e., 1%-10%) were measured by using a servo-hydraulic testing machine. The complex modulus (i.e., storage modulus and loss modulus) and loss factors of the MREFs with respect to dynamic strain amplitudes were presented as performance indices to evaluate their strain-dependent dynamic compressive behavior.
Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kuffel, Anna; Czapiewski, Dariusz; Zielkiewicz, Jan, E-mail: jaz@chem.pg.gda.pl
2015-10-07
The dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties of solvation water of ice around its two crystallographic planes: basal and prism. Three main conclusions are inferred from our investigations. The first one is that the solvation shell of CfAFP does not seem to be particularlymore » far-ranged, at least not beyond what is usually observed for proteins that do not interact with ice. Therefore, it does not appear to us that the antifreeze activity is enhanced by a long-ranged retardation of water mobility. Also the correlation between the collective mobility of water and the collective mobility of protein atoms highly resembles the one measured for the protein that does not interact with ice. Our second conclusion is that the dynamical properties of solvation water of CfAFP are non-uniform. The dynamics of solvation water of ice-binding plane is, in some respects, different from the dynamics of solvation water of the two remaining planes. The feature that distinguishes the dynamics of solvation water of the three planes is the activation energy of diffusion process. The third conclusion is that—from the three analyzed solvation shells of CfAFP—the dynamical properties of solvation water of the ice-binding plane resemble the most the properties of solvation water of ice; note, however, that these properties still clearly differ from the dynamic properties of solvation water of ice.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fu, Bo; Zhu, Wei; Shi, Qinwei
Exploiting the enabling power of the Lanczos method in momentum space, we determine accurately the quasiparticle and scaling properties of disordered three-dimensional Dirac semimetals surrounding the quantum critical point separating the semimetal and diffusive metal regimes. We unveil that the imaginary part of the quasiparticle self-energy obeys a common power law before, at, and after the quantum phase transition, but the power law is nonuniversal, whose exponent is dependent on the disorder strength. More intriguingly, whereas a common power law is also found for the real part of the self-energy before and after the phase transition, a distinctly different behaviormore » is identified at the critical point, characterized by the existence of a nonanalytic logarithmic singularity. This nonanalytical correction serves as the very basis for the unusual power-law behaviors of the quasiparticles and many other physical properties surrounding the quantum critical point. Our approach also allows the ready and reliable determination of the scaling properties of the correlation length and dynamical exponents. Furthermore, we show that the central findings are valid for both uncorrelated and correlated disorder distributions and should be directly comparable with future experimental observations.« less
Majorana quasiparticles in semiconducting carbon nanotubes
NASA Astrophysics Data System (ADS)
Marganska, Magdalena; Milz, Lars; Izumida, Wataru; Strunk, Christoph; Grifoni, Milena
2018-02-01
Engineering effective p -wave superconductors hosting Majorana quasiparticles (MQPs) is nowadays of particular interest, also in view of the possible utilization of MQPs in fault-tolerant topological quantum computation. In quasi-one-dimensional systems, the parameter space for topological superconductivity is significantly reduced by the coupling between transverse modes. Together with the requirement of achieving the topological phase under experimentally feasible conditions, this strongly restricts in practice the choice of systems which can host MQPs. Here, we demonstrate that semiconducting carbon nanotubes (CNTs) in proximity with ultrathin s -wave superconductors, e.g., exfoliated NbSe2, satisfy these needs. By precise numerical tight-binding calculations in the real space, we show the emergence of localized zero-energy states at the CNT ends above a critical value of the applied magnetic field, of which we show the spatial evolution. Knowing the microscopic wave functions, we unequivocally demonstrate the Majorana nature of the localized states. An effective four-band model in the k -space, with parameters determined from the numerical spectrum, is used to calculate the topological phase diagram and its phase boundaries in analytic form. Finally, the impact of symmetry breaking contributions, like disorder and an axial component of the magnetic field, is investigated.
Quasiparticle Interactions in Neutron Matter for Applications in Neutron Stars
NASA Technical Reports Server (NTRS)
Wambach, J; Ainsworth, T. L.; Pines, D.
1993-01-01
A microscopic model for the quasiparticle interaction in neutron matter is presented. Both-particle (pp) and particle-hole (ph) correlations are included. The pp correlations are treated in semi-empirical way, while ph correlations are incorporated by solving coupled two-body equations for particle-hole interaction and the scattering amplitude of the Fermi sphere. The resulting integral equations self-consistently sum the ph reducible diagrams. Antisymmetry is kept at all stages and hence the forward-scattering sum rules for the scattering amplitude are obeyed. Results for Landau parameters and transport coefficients in a density regime representing the crust of a neutron star are presented. We also estimate the (1)S(sub 0) gap parameter for neutron superfluidity and comment briefly on neutron-star implications.
Static and dynamic properties of smoothed dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Alizadehrad, Davod; Fedosov, Dmitry A.
2018-03-01
In this paper, static and dynamic properties of the smoothed dissipative particle dynamics (SDPD) method are investigated. We study the effect of method parameters on SDPD fluid properties, such as structure, speed of sound, and transport coefficients, and show that a proper choice of parameters leads to a well-behaved and accurate fluid model. In particular, the speed of sound, the radial distribution function (RDF), shear-thinning of viscosity, the mean-squared displacement (〈R2 〉 ∝ t), and the Schmidt number (Sc ∼ O (103) - O (104)) can be controlled, such that the model exhibits a fluid-like behavior for a wide range of temperatures in simulations. Furthermore, in addition to the consideration of fluid density variations for fluid compressibility, a more challenging test of incompressibility is performed by considering the Poisson ratio and divergence of velocity field in an elongational flow. Finally, as an example of complex-fluid flow, we present the applicability and validity of the SDPD method with an appropriate choice of parameters for the simulation of cellular blood flow in irregular geometries. In conclusion, the results demonstrate that the SDPD method is able to approximate well a nearly incompressible fluid behavior, which includes hydrodynamic interactions and consistent thermal fluctuations, thereby providing, a powerful approach for simulations of complex mesoscopic systems.
Exact dynamic properties of molecular motors
NASA Astrophysics Data System (ADS)
Boon, N. J.; Hoyle, R. B.
2012-08-01
Molecular motors play important roles within a biological cell, performing functions such as intracellular transport and gene transcription. Recent experimental work suggests that there are many plausible biochemical mechanisms that molecules such as myosin-V could use to achieve motion. To account for the abundance of possible discrete-stochastic frameworks that can arise when modeling molecular motor walks, a generalized and straightforward graphical method for calculating their dynamic properties is presented. It allows the calculation of the velocity, dispersion, and randomness ratio for any proposed system through analysis of its structure. This article extends work of King and Altman ["A schematic method of deriving the rate laws of enzyme-catalyzed reactions," J. Phys. Chem. 60, 1375-1378 (1956)], 10.1021/j150544a010 on networks of enzymatic reactions by calculating additional dynamic properties for spatially hopping systems. Results for n-state systems are presented: single chain, parallel pathway, divided pathway, and divided pathway with a chain. A novel technique for combining multiple system architectures coupled at a reference state is also demonstrated. Four-state examples illustrate the effectiveness and simplicity of these methods.
Biswas, Tutul; Ghosh, Tarun Kanti
2018-01-09
We consider the $\\alpha$-$T_3$ model which provides a smooth crossover between the honeycomb lattice with pseudospin $1/2$ and the dice lattice with pseudospin $1$ through the variation of a parameter $\\alpha$. We study the dynamics of a wave packet representing a quasiparticle in the $\\alpha$-T$_3$ model with zero and finite transverse magnetic field. For zero field, it is shown that the wave packet undergoes a transient $zitterbewegung$ (ZB). Various features of ZB depending on the initial pseudospin polarization of the wave packet have been revealed. For an intermediate value of the parameter $\\alpha$ i.e. for $0<\\alpha<1$ the resulting ZB consists of two distinct frequencies when the wave packet was located initially in $rim$ site. However, the wave packet exhibits single frequency ZB for $\\alpha=0$ and $\\alpha=1$. It is also unveiled that the frequency of ZB corresponding to $\\alpha=1$ gets exactly half of that corresponding to the $\\alpha=0$ case. On the other hand, when the initial wave packet was in $hub$ site, the ZB consists of only one frequency for all values of $\\alpha$. Using stationary phase approximation we find analytical expression of velocity average which can be used to extract the associated timescale over which the transient nature of ZB persists. On the contrary the wave packet undergoes permanent ZB in presence of a transverse magnetic field. Due to the presence of large number of Landau energy levels the oscillations in ZB appear to be much more complicated. The oscillation pattern depends significantly on the initial pseudospin polarization of the wave packet. Furthermore, it is revealed that the number of the frequency components involved in ZB depends on the parameter $\\alpha$. © 2018 IOP Publishing Ltd.
Viscoelastic properties of a spinal posterior dynamic stabilisation device.
Lawless, Bernard M; Barnes, Spencer C; Espino, Daniel M; Shepherd, Duncan E T
2016-06-01
The purpose of this study was to quantify the frequency dependent viscoelastic properties of two types of spinal posterior dynamic stabilisation devices. In air at 37°C, the viscoelastic properties of six BDyn 1 level, six BDyn 2 level posterior dynamic stabilisation devices (S14 Implants, Pessac, France) and its elastomeric components (polycarbonate urethane and silicone) were measured using Dynamic Mechanical Analysis. The viscoelastic properties were measured over the frequency range 0.01-30Hz. The BDyn devices and its components were viscoelastic throughout the frequency range tested. The mean storage stiffness and mean loss stiffness of the BDyn 1 level device, BDyn 2 level device, silicone component and polycarbonate urethane component all presented a logarithmic relationship with respect to frequency. The storage stiffness of the BDyn 1 level device ranged from 95.56N/mm to 119.29N/mm, while the BDyn 2 level storage stiffness ranged from 39.41N/mm to 42.82N/mm. BDyn 1 level device and BDyn 2 level device loss stiffness ranged from 10.72N/mm to 23.42N/mm and 4.26N/mm to 9.57N/mm, respectively. No resonant frequencies were recorded for the devices or its components. The elastic property of BDyn 1 level device is influenced by the PCU and silicone components, in the physiological frequency range. The viscoelastic properties calculated in this study may be compared to spinal devices and spinal structures. Copyright © 2016 Elsevier Ltd. All rights reserved.
Quasiparticle properties at microwave frequencies in the underdoped YBa2Cu3O7-δ thin films
NASA Astrophysics Data System (ADS)
Hsing, Lai
2004-03-01
Microstrip ring resonators with quality factor (Q) over 10^4 at temperature 5 K were fabricated using the double-side YBa_2Cu_3O_7-δ (YBCO) films deposited on LaAlO3 (LAO) substrates. By placing a narrow gap in the ring resonator, the original fundamental resonating mode (3.61 GHz) splits into two modes (1.80 GHz and 5.33 GHz) with distinct resonating frequencies. The samples allow us to determine the temperature and the frequency dependences of penetration depth and microwave conductivity for various underdoped-cuprates by using Drude formula and the modified two-fluid model. The natures of the order parameter of high-Tc superconductivity in the underdoped cases are shown to be of d-wave type in an exact manner. In particular, the Fermi-liquid correction factor α ^2 and the vertex correction factor β from the model, proposed by Wen and Lee, can be estimated that α ^2 is doping independent in the underdoped regime and β decreases as oxygen content is decreasing in our experiment data. All these results are independent of frequencies as well. The results reveal that the interaction between quasiparticles is insensitive dependence of the impurity concentrations due to oxygen deficiency on the CuO chain and the impurity potential for forward scattering approaches the same as back scattering with more oxygen deficiency.
Dynamic Properties of DNA-Programmable Nanoparticle Crystallization.
Yu, Qiuyan; Zhang, Xuena; Hu, Yi; Zhang, Zhihao; Wang, Rong
2016-08-23
The dynamics of DNA hybridization is very important in DNA-programmable nanoparticle crystallization. Here, coarse-grained molecular dynamics is utilized to explore the structural and dynamic properties of DNA hybridizations for a self-complementary DNA-directed nanoparticle self-assembly system. The hexagonal close-packed (HCP) and close-packed face-centered cubic (FCC) ordered structures are identified for the systems of different grafted DNA chains per nanoparticle, which are in good agreement with the experimental results. Most importantly, the dynamic crystallization processes of DNA hybridizations are elucidated by virtue of the mean square displacement, the percentage of hybridizations, and the lifetime of DNA bonds. The lifetime can be modeled by the DNA dehybridization, which has an exponential form. The lifetime of DNA bonds closely depends on the temperature. A suitable temperature for the DNA-nanoparticle crystallization is obtained in the work. Moreover, a too large volume fraction hinders the self-assembly process due to steric effects. This work provides some essential information for future design of nanomaterials.
Dynamical Localization in Molecular Systems.
NASA Astrophysics Data System (ADS)
Wang, Xidi
In the first four chapters of this thesis we concentrate on the Davydov model which describes the vibrational energy quanta of Amide I bonds (C=O bonds on the alpha -helix) coupled to the acoustic phonon modes of the alpha-helix backbone in the form of a Frohlich Hamiltonian. Following a brief introduction in chapter one, in chapter two we formulate the dynamics of vibrational quanta at finite temperature by using coherent state products. The fluctuation-dissipation relation is derived. At zero temperature, in the continuum limit, we recover the original results of Davydov. We also achieve good agreement with numerical simulations. In chapter three, the net contraction of the lattice is calculated exactly at any temperature, and its relation to the so -call "topological stability" of the Davydov soliton is discussed. In the second section of the chapter three we calculate the overtone spectra of crystalline acetanilide (according to some opinions ACN provides experimental evidence for the existence of Davydov solitons). Good agreement with experimental data has been obtained. In chapter four we study the self-trapped vibrational excitations by the Quantum Monte Carlo technique. For a single excitation, the temperature dependence of different physical observables is calculated. The quasi-particle which resembles the Davydov soliton has been found to be fairly narrow using the most commonly used data for the alpha -helix; at temperatures above a few Kelvin, the quasi-particle reaches its smallest limit (extends over three sites), which implies diffusive motion of the small polaron-like quasi-particle at high temperatures. For the multi-excitation case, bound pairs and clusters of excitations are found at low temperatures; they gradually dissociate when the temperature of the system is increased as calculated from the density-density correlation function. In the last chapter of this thesis, we study a more general model of dynamical local modes in molecular systems
Consequences of covariant kaon dynamics in heavy ion collisions
NASA Astrophysics Data System (ADS)
Fuchs, C.; Kosov, D. S.; Faessler, Amand; Wang, Z. S.; Waindzoch, T.
1998-08-01
The influence of the chiral mean field on the kaon dynamics in heavy ion reactions is investigated. Inside the nuclear medium the kaons are described as dressed quasi-particles carrying effective masses and momenta. A momentum dependent part of the interaction which resembles a Lorentz force originates from spatial components of the vector field and provides an important contribution to the in-medium kaon dynamics. This contribution is found to counterbalance the influence of the vector potential on the K+ in-plane flow to a strong extent. Thus it appears to be difficult to restrict the in-medium potential from the analysis of the corresponding transverse flow.
Abrahams, Elihu; Wölfle, Peter
2012-01-01
We use the recently developed critical quasiparticle theory to derive the scaling behavior associated with a quantum critical point in a correlated metal. This is applied to the magnetic-field induced quantum critical point observed in YbRh2Si2, for which we also derive the critical behavior of the specific heat, resistivity, thermopower, magnetization and susceptibility, the Grüneisen coefficient, and the thermal expansion coefficient. The theory accounts very well for the available experimental results. PMID:22331893
Non-quasiparticle states in a half-metallic ferromagnet with antiferromagnetic s-d(f) interaction.
Irkhin, V Yu
2015-04-22
Non-quasiparticle (incoherent) states which play an important role in the electronic structure of half-metallic ferromagnets (HMF) are investigated consistently in the case of antiferromagnetic s-d(f) exchange interaction. Their appropriate description in the limit of strong correlations requires a rearrangement of perturbation series in comparison with the usual Dyson equation. This consideration provides a solution of the Kondo problem in the HMF case and can be important for first-principle HMF calculations performed earlier for ferromagnetic s-d(f) interaction.
NASA Astrophysics Data System (ADS)
Seidu, Azimatu; Marini, Andrea; Gatti, Matteo
2018-03-01
Beryllium is a weakly correlated simple metal. Still we find that dynamical correlation effects, beyond the independent-particle picture, are necessary to successfully interpret the electronic spectra measured by inelastic x-ray scattering (IXS) and photoemission spectroscopies (PES). By combining ab initio time-dependent density-functional theory (TDDFT) and many-body Green's function theory in the G W approximation (G W A ), we calculate the dynamic structure factor, the quasiparticle (QP) properties and PES spectra of bulk Be. We show that band-structure effects (i.e., due to interaction with the crystal potential) and QP lifetimes (LT) are both needed in order to explain the origin of the measured double-peak features in the IXS spectra. A quantitative agreement with experiment is obtained only when LT are supplemented to the adiabatic local-density approximation (ALDA) of TDDFT. Besides the valence band, PES spectra display a satellite, a signature of dynamical correlation due to the coupling of QPs and plasmons, which we are able to reproduce thanks to the combination of the G W A for the self-energy with the cumulant expansion of the Green's function.
Dynamic properties of molecular motors in burnt-bridge models
NASA Astrophysics Data System (ADS)
Artyomov, Maxim N.; Morozov, Alexander Yu; Pronina, Ekaterina; Kolomeisky, Anatoly B.
2007-08-01
Dynamic properties of molecular motors that fuel their motion by actively interacting with underlying molecular tracks are studied theoretically via discrete-state stochastic 'burnt-bridge' models. The transport of the particles is viewed as an effective diffusion along one-dimensional lattices with periodically distributed weak links. When an unbiased random walker passes the weak link it can be destroyed ('burned') with probability p, providing a bias in the motion of the molecular motor. We present a theoretical approach that allows one to calculate exactly all dynamic properties of motor proteins, such as velocity and dispersion, under general conditions. It is found that dispersion is a decreasing function of the concentration of bridges, while the dependence of dispersion on the burning probability is more complex. Our calculations also show a gap in dispersion for very low concentrations of weak links or for very low burning probabilities which indicates a dynamic phase transition between unbiased and biased diffusion regimes. Theoretical findings are supported by Monte Carlo computer simulations.
NASA Astrophysics Data System (ADS)
Zhang, Junshi; Chen, Hualing; Li, Dichen
2018-02-01
Subject to an AC voltage, dielectric elastomers (DEs) behave as a nonlinear vibration, implying potential applications as soft dynamical actuators and robots. In this article, by utilizing the Lagrange's equation, a theoretical model is deduced to investigate the dynamic performances of DEs by considering three internal properties, including crosslinks, entanglements, and finite deformations of polymer chains. Numerical calculations are employed to describe the dynamic response, stability, periodicity, and resonance properties of DEs. It is observed that the frequency and nonlinearity of dynamic response are tuned by the internal properties of DEs. Phase paths and Poincaré maps are utilized to detect the stability and periodicity of the nonlinear vibrations of DEs, which demonstrate that transitions between aperiodic and quasi-periodic vibrations may occur when the three internal properties vary. The resonance of DEs involving the three internal properties of polymer chains is also investigated.
Landau quantization and quasiparticle interference in the three-dimensional Dirac semimetal Cd₃As₂.
Jeon, Sangjun; Zhou, Brian B; Gyenis, Andras; Feldman, Benjamin E; Kimchi, Itamar; Potter, Andrew C; Gibson, Quinn D; Cava, Robert J; Vishwanath, Ashvin; Yazdani, Ali
2014-09-01
Condensed-matter systems provide a rich setting to realize Dirac and Majorana fermionic excitations as well as the possibility to manipulate them for potential applications. It has recently been proposed that chiral, massless particles known as Weyl fermions can emerge in certain bulk materials or in topological insulator multilayers and give rise to unusual transport properties, such as charge pumping driven by a chiral anomaly. A pair of Weyl fermions protected by crystalline symmetry effectively forming a massless Dirac fermion has been predicted to appear as low-energy excitations in a number of materials termed three-dimensional Dirac semimetals. Here we report scanning tunnelling microscopy measurements at sub-kelvin temperatures and high magnetic fields on the II-V semiconductor Cd3As2. We probe this system down to atomic length scales, and show that defects mostly influence the valence band, consistent with the observation of ultrahigh-mobility carriers in the conduction band. By combining Landau level spectroscopy and quasiparticle interference, we distinguish a large spin-splitting of the conduction band in a magnetic field and its extended Dirac-like dispersion above the expected regime. A model band structure consistent with our experimental findings suggests that for a magnetic field applied along the axis of the Dirac points, Weyl fermions are the low-energy excitations in Cd3As2.
Molecular dynamics study of the conformational properties of cyclohexadecane
NASA Astrophysics Data System (ADS)
Zhang, Renshi; Mattice, Wayne L.
1993-06-01
Molecular dynamics has been used for the first time for the study of the conformational properties of cyclohexadecane, c-C16H32. By analyzing a long molecular dynamics trajectory (14.5 ns) at 450 K, equilibrium statistics such as the relative populations of different isomeric conformers and the probability ratios, p(gt)/p(tt), p(gg)/p(tt), and p(gg)/p(gtg), of different conformational segments, have been studied. The dynamic properties including the transition modes of gauche migration and gauche-pair creation, which have been reported before in n-alkanes, and the auto- and cross-correlations of the bond dihedral angles, have also been obtained. It was possible to make direct comparisons on some of the statistics with theory and experiment. Most of the results extracted from the molecular dynamics trajectory lie in between previously reported experimental and theoretical values. Many previously predicted conformers have been confirmed by our simulations. The results of the population probability of the most populated conformer seems to suggest that an earlier discrepancy between the theoretical works and an experimental work originates from insufficient samplings in earlier theoretical works, rather than from their inaccurate force field.
Dynamically hot galaxies. I - Structural properties
NASA Technical Reports Server (NTRS)
Bender, Ralf; Burstein, David; Faber, S. M.
1992-01-01
Results are reported from an analysis of the structural properties of dynamically hot galaxies which combines central velocity dispersion, effective surface brightness, and effective radius into a new 3-space (k), in which the axes are parameters that are physically meaningful. Hot galaxies are found to divide into groups in k-space that closely parallel conventional morphological classifications, namely, luminous ellipticals, compacts, bulges, bright dwarfs, and dwarf spheroidals. A major sequence is defined by luminous ellipticals, bulges, and most compacts, which together constitute a smooth continuum in k-space. Several properties vary smoothly with mass along this continuum, including bulge-to-disk ratio, radio properties, rotation, degree of velocity anisotropy, and 'unrelaxed'. A second major sequence is comprised of dwarf ellipticals and dwarf spheroidals. It is suggested that mass loss is a major factor in hot dwarf galaxies, but the dwarf sequence cannot be simply a mass-loss sequence, as it has the wrong direction in k-space.
Quasiparticle Level Alignment for Photocatalytic Interfaces.
Migani, Annapaoala; Mowbray, Duncan J; Zhao, Jin; Petek, Hrvoje; Rubio, Angel
2014-05-13
Electronic level alignment at the interface between an adsorbed molecular layer and a semiconducting substrate determines the activity and efficiency of many photocatalytic materials. Standard density functional theory (DFT)-based methods have proven unable to provide a quantitative description of this level alignment. This requires a proper treatment of the anisotropic screening, necessitating the use of quasiparticle (QP) techniques. However, the computational complexity of QP algorithms has meant a quantitative description of interfacial levels has remained elusive. We provide a systematic study of a prototypical interface, bare and methanol-covered rutile TiO2(110) surfaces, to determine the type of many-body theory required to obtain an accurate description of the level alignment. This is accomplished via a direct comparison with metastable impact electron spectroscopy (MIES), ultraviolet photoelectron spectroscopy (UPS), and two-photon photoemission (2PP) spectroscopy. We consider GGA DFT, hybrid DFT, and G0W0, scQPGW1, scQPGW0, and scQPGW QP calculations. Our results demonstrate that G0W0, or our recently introduced scQPGW1 approach, are required to obtain the correct alignment of both the highest occupied and lowest unoccupied interfacial molecular levels (HOMO/LUMO). These calculations set a new standard in the interpretation of electronic structure probe experiments of complex organic molecule/semiconductor interfaces.
NASA Astrophysics Data System (ADS)
Liu, Jun; Zhang, Liqun
In this talk, by employing molecular dynamics simulation, we aim to provide the structure design and property prediction of novel elastomer nanocomposites(ENCs), by considering three typical systems such as physical compounding, self-assembly and end-linked systems. We examine the dispersion, interfacial interaction and the resulting static and dynamic mechanical properties of each system. Emphasis is placed on how to tune the visco-elasticity and decrease the dynamic hysteresis loss of ENCs, by considering to introduce the flexible nanoparticles(NPs) with reversible mechanical deformation such as carbon nanosprings and graphene nanoribbon, or by achieving a homogeneous distribution of NPs in the elastomeric polymer matrix together with decreasing the mobility of the end-groups of polymer chains. In particular, the end-linked system exhibits both excellent static and dynamic mechanical properties, independent of the temperature. This novel ENCs could provide some useful guidances for the fabrication of high performance ENCs tailored for tire tread of green tires by cutting the fuel consumption.
GW quasiparticle energy study of ternary tetradymite Bi2Te2Se and Bi2Te2S thin films
NASA Astrophysics Data System (ADS)
Shuaibu, Alhassan; Rahman, Md. Mahmudur; Zainuddin, Hishamuddin; Talib, Zainal Abidin; Muhida, Rifki
2015-04-01
In this work, we have evaluated the quasiparticle energies of ternary tetradymite Bi2Te2Se and Bi2Te2S using first-principles calculation within the G0W0 methods. We have also performed a broad convergence tests in order to investigate the quasiparticle corrections to the structural parameters and to the semi core d electrons in both of the compounds. For each case, we have calculated the many-body corrections within a one-shot GW method of the compounds. Our results have shown that for Bi2Te2Se the GW corrections increase the band gap to almost 10%, and for specific atomic positions, the band structure shows a close value to the experimental one. For Bi2Te2S, despite increase in the band gap due to the GW corrections, possibility of bulk resistivity that can be significant for photovoltaic applications was observed.
Trion fine structure and coupled spin–valley dynamics in monolayer tungsten disulfide
Plechinger, Gerd; Nagler, Philipp; Arora, Ashish; Schmidt, Robert; Chernikov, Alexey; del Águila, Andrés Granados; Christianen, Peter C.M.; Bratschitsch, Rudolf; Schüller, Christian; Korn, Tobias
2016-01-01
Monolayer transition-metal dichalcogenides have recently emerged as possible candidates for valleytronic applications, as the spin and valley pseudospin are directly coupled and stabilized by a large spin splitting. The optical properties of these two-dimensional crystals are dominated by tightly bound electron–hole pairs (excitons) and more complex quasiparticles such as charged excitons (trions). Here we investigate monolayer WS2 samples via photoluminescence and time-resolved Kerr rotation. In photoluminescence and in energy-dependent Kerr rotation measurements, we are able to resolve two different trion states, which we interpret as intravalley and intervalley trions. Using time-resolved Kerr rotation, we observe a rapid initial valley polarization decay for the A exciton and the trion states. Subsequently, we observe a crossover towards exciton–exciton interaction-related dynamics, consistent with the formation and decay of optically dark A excitons. By contrast, resonant excitation of the B exciton transition leads to a very slow decay of the Kerr signal. PMID:27586517
NASA Astrophysics Data System (ADS)
Zhang, D. B., Sr.
2017-12-01
Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0
Active Polymers — Emergent Conformational and Dynamical Properties: A Brief Review
NASA Astrophysics Data System (ADS)
Winkler, Roland G.; Elgeti, Jens; Gompper, Gerhard
2017-10-01
Active matter exhibits a wealth of emerging nonequilibrium behaviours. A paradigmatic example is the interior of cells, where active components, such as the cytoskeleton, are responsible for its structural organization and the dynamics of the various components. Of particular interest are the properties of polymers and filaments. The intimate coupling of thermal and active noise, hydrodynamic interactions, and polymer conformations implies the emergence of novel structural and dynamical features. In this article, we review recent theoretical and simulation developments and results for the structural and dynamical properties of polymers exposed to activity. Two- and three-dimensional filaments are considered propelled by different mechanisms such as active Brownian particles or hydrodynamically-coupled force dipoles.
Dynamic properties of ceramic materials
DOE Office of Scientific and Technical Information (OSTI.GOV)
Grady, D.E.
1995-02-01
The present study offers new data and analysis on the transient shock strength and equation-of-state properties of ceramics. Various dynamic data on nine high strength ceramics are provided with wave profile measurements, through velocity interferometry techniques, the principal observable. Compressive failure in the shock wave front, with emphasis on brittle versus ductile mechanisms of deformation, is examined in some detail. Extensive spall strength data are provided and related to the theoretical spall strength, and to energy-based theories of the spall process. Failure waves, as a mechanism of deformation in the transient shock process, are examined. Strength and equation-of-state analysis ofmore » shock data on silicon carbide, boron carbide, tungsten carbide, silicon dioxide and aluminum nitride is presented with particular emphasis on phase transition properties for the latter two. Wave profile measurements on selected ceramics are investigated for evidence of rate sensitive elastic precursor decay in the shock front failure process.« less
Thompson, J D; McClarty, P A; Prabhakaran, D; Cabrera, I; Guidi, T; Coldea, R
2017-08-04
The frustrated pyrochlore magnet Yb_{2}Ti_{2}O_{7} has the remarkable property that it orders magnetically but has no propagating magnons over wide regions of the Brillouin zone. Here we use inelastic neutron scattering to follow how the spectrum evolves in cubic-axis magnetic fields. At high fields we observe, in addition to dispersive magnons, a two-magnon continuum, which grows in intensity upon reducing the field and overlaps with the one-magnon states at intermediate fields leading to strong renormalization of the dispersion relations, and magnon decays. Using heat capacity measurements we find that the low- and high-field regions are smoothly connected with no sharp phase transition, with the spin gap increasing monotonically in field. Through fits to an extensive data set of dispersion relations combined with magnetization measurements, we reevaluate the spin Hamiltonian, finding dominant quantum exchange terms, which we propose are responsible for the anomalously strong fluctuations and quasiparticle breakdown effects observed at low fields.
Dynamic screening in a two-species asymmetric exclusion process
NASA Astrophysics Data System (ADS)
Kim, Kyung Hyuk; den Nijs, Marcel
2007-08-01
The dynamic scaling properties of the one-dimensional Burgers equation are expected to change with the inclusion of additional conserved degrees of freedom. We study this by means of one-dimensional (1D) driven lattice gas models that conserve both mass and momentum. The most elementary version of this is the Arndt-Heinzel-Rittenberg (AHR) process, which is usually presented as a two-species diffusion process, with particles of opposite charge hopping in opposite directions and with a variable passing probability. From the hydrodynamics perspective this can be viewed as two coupled Burgers equations, with the number of positive and negative momentum quanta individually conserved. We determine the dynamic scaling dimension of the AHR process from the time evolution of the two-point correlation functions, and find numerically that the dynamic critical exponent is consistent with simple Kardar-Parisi-Zhang- (KPZ) type scaling. We establish that this is the result of perfect screening of fluctuations in the stationary state. The two-point correlations decay exponentially in our simulations and in such a manner that in terms of quasiparticles, fluctuations fully screen each other at coarse grained length scales. We prove this screening rigorously using the analytic matrix product structure of the stationary state. The proof suggests the existence of a topological invariant. The process remains in the KPZ universality class but only in the sense of a factorization, as (KPZ)2 . The two Burgers equations decouple at large length scales due to the perfect screening.
Structural and dynamical properties of recombining ultracold neutral plasma
NASA Astrophysics Data System (ADS)
Tiwari, Sanat Kumar; Shaffer, Nathaniel R.; Baalrud, Scott D.
2017-10-01
An ultracold plasma (UCP) is an evolving collection of free charges and bound charges (Rydberg atoms). Over time, bound species concentration increases due to recombination. We present the structural and dynamical properties of an evolving UCP using classical molecular dynamics simulation. Coulomb collapse is avoided using a repulsive core with the attractive Coulomb potential. The repulsive core size controls the concentration of bound states, as it determines the depth of the potential well between opposite charges. We vary the repulsive core size to emulate the quasi-static state of plasma at different time during the evolution. Binary, chain and ring-like bound states are observed in the simulation carried out at different coupling strengths and repulsive core size. The effect of bound states can be seen as molecular peaks in the radial distribution function (RDF). The thermodynamic properties associated with the free charges can be analyzed from RDF by separating free from bound states. These bound states also change the dynamical properties of the plasma. The electron velocity auto-correlation displays oscillations due to the orbital motion in bound states. These bound states act like a neutral species, damping electron plasmon modes and broadening the ion acoustic mode. This work is supported by AFOSR Grant Number FA9550-16-1-0221. It used computational resources by XSEDE, which is supported by NSF Grant Number ACI-1053575.
Electron spin resonance in YbRh2Si2: local-moment, unlike-spin and quasiparticle descriptions.
Huber, D L
2012-06-06
Electron spin resonance (ESR) in the Kondo lattice compound YbRh(2)Si(2) has stimulated discussion as to whether the low-field resonance outside the Fermi liquid regime in this material is more appropriately characterized as a local-moment phenomenon or one that requires a Landau quasiparticle interpretation. In earlier work, we outlined a collective mode approach to the ESR that involves only the local 4f moments. In this paper, we extend the collective mode approach to a situation where there are two subsystems of unlike spins: the pseudospins of the ground multiplet of the Yb ions and the spins of the itinerant conduction electrons. We assume a weakly anisotropic exchange interaction between the two subsystems. With suitable approximations our expression for the g-factor also reproduces that found in recent unlike-spin quasiparticle calculations. It is pointed out that the success of the local-moment approach in describing the resonance is due to the fact that the susceptibility of the Yb subsystem dominates that of the conduction electrons with the consequence that the relative shift in the resonance frequency predicted by the unlike-spin models (and absent in the local-moment models) is ≪ 1. The connection with theoretical studies of a two-component model with like spins is also discussed.
Tunable dynamic response of magnetic gels: Impact of structural properties and magnetic fields
NASA Astrophysics Data System (ADS)
Tarama, Mitsusuke; Cremer, Peet; Borin, Dmitry Y.; Odenbach, Stefan; Löwen, Hartmut; Menzel, Andreas M.
2014-10-01
Ferrogels and magnetic elastomers feature mechanical properties that can be reversibly tuned from outside through magnetic fields. Here we concentrate on the question of how their dynamic response can be adjusted. The influence of three factors on the dynamic behavior is demonstrated using appropriate minimal models: first, the orientational memory imprinted into one class of the materials during their synthesis; second, the structural arrangement of the magnetic particles in the materials; and third, the strength of an external magnetic field. To illustrate the latter point, structural data are extracted from a real experimental sample and analyzed. Understanding how internal structural properties and external influences impact the dominant dynamical properties helps to design materials that optimize the requested behavior.
Effect of microstructure on static and dynamic mechanical properties of high strength steels
NASA Astrophysics Data System (ADS)
Qu, Jinbo
The high speed deformation behavior of a commercially available dual phase (DP) steel was studied by means of split Hopkinson bar apparatus in shear punch (25m/s) and tension (1000s-1) modes with an emphasis on the influence of microstructure. The cold rolled sheet material was subjected to a variety of heat treatment conditions to produce several different microstructures, namely ferrite plus pearlite, ferrite plus bainite and/or acicular ferrite, ferrite plus bainite and martensite, and ferrite plus different fractions of martensite. Static properties (0.01mm/s for shear punch and 0.001s -1 for tension) of all the microstructures were also measured by an MTS hydraulic machine and compared to the dynamic properties. The effects of low temperature tempering and bake hardening were investigated for some ferrite plus martensite microstructures. In addition, two other materials, composition designed as high strength low alloy (HSLA) steel and transformation induced plasticity (TRIP) steel, were heat treated and tested to study the effect of alloy chemistry on the microstructure and property relationship. A strong effect of microstructure on both static and dynamic properties and on the relationship between static and dynamic properties was observed. According to the variation of dynamic factor with static strength, three groups of microstructures with three distinct behaviors were identified, i.e. classic dual phase (ferrite plus less than 50% martensite), martensite-matrix dual phase (ferrite plus more than 50% martensite), and non-dual phase (ferrite plus non-martensite). Under the same static strength level, the dual phase microstructure was found to absorb more dynamic energy than other microstructures. It was also observed that the general dependence of microstructure on static and dynamic property relationship was not strongly influenced by chemical composition, except the ferrite plus martensite microstructures generated by the TRIP chemistry, which exhibited
DOE Office of Scientific and Technical Information (OSTI.GOV)
Faessler, Amand; Rodin, V.; Fogli, G. L.
2009-03-01
The variances and covariances associated to the nuclear matrix elements of neutrinoless double beta decay (0{nu}{beta}{beta}) are estimated within the quasiparticle random phase approximation. It is shown that correlated nuclear matrix elements uncertainties play an important role in the comparison of 0{nu}{beta}{beta} decay rates for different nuclei, and that they are degenerate with the uncertainty in the reconstructed Majorana neutrino mass.
Dynamic rheological properties of dough as affected by amylases from various sources.
Doğan, Ismail S
2002-12-01
The effect of alpha-amylases from cereal, fungal, and bacterial sources on dough dynamic rheological properties was investigated. Dynamic rheological study of flour-and-water doughs during resting period showed significant changes in dough rheological properties as a function of alpha-amylases. Addition of alpha-amylases caused a time-dependent decrease in G', storage modulus. The enzyme action on starch during baking increased viscous flow properties. These changes were temperature-dependent. The thermal inactivation temperature of alpha-amylase plays an important role in modification of starch. Rheological changes in dough will alter the machinability of the dough and the quality of end products.
On the fundamental properties of dynamically hot galaxies
NASA Astrophysics Data System (ADS)
Kritsuk, Alexei G.
1997-01-01
A two-component isothermal equilibrium model is applied to reproduce basic structural properties of dynamically hot stellar systems immersed in their massive dark haloes. The origin of the fundamental plane relation for giant ellipticals is naturally explained as a consequence of dynamical equilibrium in the context of the model. The existence of two galactic families displaying different behaviour in the luminosity-surface-brightness diagram is shown to be a result of a smooth transition from dwarfs, dominated by dark matter near the centre, to giants dominated by the luminous stellar component. The comparison of empirical scaling relations with model predictions suggests that probably a unique dissipative process was operating during the violent stage of development of stellar systems in the dark haloes, and the depth of the potential well controlled the observed luminosity of the resulting galaxies. The interpretation also provides some restrictions on the properties of dark haloes implied by the fundamental scaling laws.
Mross, David F; Essin, Andrew; Alicea, Jason; Stern, Ady
2016-01-22
We show that boundaries of 3D weak topological insulators can become gapped by strong interactions while preserving all symmetries, leading to Abelian surface topological order. The anomalous nature of weak topological insulator surfaces manifests itself in a nontrivial action of symmetries on the quasiparticles; most strikingly, translations change the anyon types in a manner impossible in strictly 2D systems with the same symmetry. As a further consequence, screw dislocations form non-Abelian defects that trap Z_{4} parafermion zero modes.
Dynamical properties of dissipative XYZ Heisenberg lattices
NASA Astrophysics Data System (ADS)
Rota, R.; Minganti, F.; Biella, A.; Ciuti, C.
2018-04-01
We study dynamical properties of dissipative XYZ Heisenberg lattices where anisotropic spin-spin coupling competes with local incoherent spin flip processes. In particular, we explore a region of the parameter space where dissipative magnetic phase transitions for the steady state have been recently predicted by mean-field theories and exact numerical methods. We investigate the asymptotic decay rate towards the steady state both in 1D (up to the thermodynamical limit) and in finite-size 2D lattices, showing that critical dynamics does not occur in 1D, but it can emerge in 2D. We also analyze the behavior of individual homodyne quantum trajectories, which reveal the nature of the transition.
Ab-initio study of several static and dynamic properties of liquid palladium and platinum
NASA Astrophysics Data System (ADS)
González, L. E.; González, D. J.; Molla, Mohammad Riazuddin; Ahmed, A. Z. Ziauddin; Bhuiyan, G. M.
2017-08-01
We report a study on several static and dynamic properties of liquid Pd and Pt metals at thermodynamic conditions near their respective triple points. The calculations have been carried out by an ab initio molecular dynamics simulation technique. Results are reported for several static structural magnitudes which are compared with the available X-ray diffraction. As for the dynamic properties, results have been obtained for both single and collective dynamical magnitudes as well as for some transport coeffcients which are compared with the corresponding experimental data.
Size-dependent impact of CNTs on dynamic properties of calmodulin
NASA Astrophysics Data System (ADS)
Gao, Jian; Wang, Liming; Kang, Seung-Gu; Zhao, Lina; Ji, Mingjuan; Chen, Chunying; Zhao, Yuliang; Zhou, Ruhong; Li, Jingyuan
2014-10-01
There are growing concerns about the biosafety of nanomaterials such as carbon nanotubes (CNTs) as their applications become more widespread. We report here a theoretical and experimental study of the binding of various sizes of CNTs [CNT (4,4), (5,5), (6,6) and (7,7)] to calmodulin (CaM) protein and, in particular, their impact on the Ca2+-dependent dynamic properties of CaM. Our simulations show that all the CNTs can plug into the hydrophobic binding pocket of Ca2+-bound CaM with binding affinities comparable with the native substrate M13 peptide. Even though CNT (4,4) shows a similar behavior to the M13 peptide in its dissociation from Ca2+-free CaM, wider CNTs still bind firmly to CaM, indicating a potential failure of Ca2+ regulation. Such a size-dependent impact of CNTs on the dynamic properties of CaM is a result of the excessively strong hydrophobic interactions between the wider CNTs and CaM. These simulation results were confirmed by circular dichroism spectroscopy, which showed that the secondary structures of CaM become insensitive to Ca2+ concentrations after the addition of CNTs. Our findings indicate that the cytotoxicity of nanoparticles to proteins arises not only from the inhibition of static protein structures (binding pockets), but also from impacts on their dynamic properties.There are growing concerns about the biosafety of nanomaterials such as carbon nanotubes (CNTs) as their applications become more widespread. We report here a theoretical and experimental study of the binding of various sizes of CNTs [CNT (4,4), (5,5), (6,6) and (7,7)] to calmodulin (CaM) protein and, in particular, their impact on the Ca2+-dependent dynamic properties of CaM. Our simulations show that all the CNTs can plug into the hydrophobic binding pocket of Ca2+-bound CaM with binding affinities comparable with the native substrate M13 peptide. Even though CNT (4,4) shows a similar behavior to the M13 peptide in its dissociation from Ca2+-free CaM, wider CNTs still
Dynamic response functions, helical gaps, and fractional charges in quantum wires
NASA Astrophysics Data System (ADS)
Meng, Tobias; Pedder, Christopher J.; Tiwari, Rakesh P.; Schmidt, Thomas L.
We show how experimentally accessible dynamic response functions can discriminate between helical gaps due to magnetic field, and helical gaps driven by electron-electron interactions (''umklapp gaps''). The latter are interesting since they feature gapped quasiparticles of fractional charge e / 2 , and - when coupled to a standard superconductor - an 8 π-Josephson effect and topological zero energy states bound to interfaces. National Research Fund, Luxembourg (ATTRACT 7556175), Deutsche Forschungsgemeinschaft (GRK 1621 and SFB 1143), Swiss National Science Foundation.
On the temperature-dependent exchange splitting in the quasiparticle bandstructure of Ni
NASA Astrophysics Data System (ADS)
Borgiel, W.; Nolting, W.; Donath, M.
1989-11-01
A theoretical model for the bandferromagnet Ni is proposed, which takes into account the intraatomic electron interactions within the d band complex. After introducing effective spin operators the model-Hamiltonian consists of a one-particle part, an intraband interaction of Hubbard-type, and an interband exchange, formally describing electron magnon scattering (s-f model). The one particle energies are taken from a realistic bandstructure calculation for paramagnetic Ni. We use a many body procedure for a detailed inspection of the quasiparticle bandstructure in KX and XW directions, present the corresponding spectral densities, and compare the temperature dependent exchange splittings near the X and W point with recent results from spin resolved photoemission (PE) - and inverse photoemission (IPE) - experiments.
Setterbo, Jacob J.; Chau, Anh; Fyhrie, Patricia B.; Hubbard, Mont; Upadhyaya, Shrini K.; Symons, Jennifer E.; Stover, Susan M.
2012-01-01
Background Racetrack surface is a risk factor for racehorse injuries and fatalities. Current research indicates that race surface mechanical properties may be influenced by material composition, moisture content, temperature, and maintenance. Race surface mechanical testing in a controlled laboratory setting would allow for objective evaluation of dynamic properties of surface and factors that affect surface behavior. Objective To develop a method for reconstruction of race surfaces in the laboratory and validate the method by comparison with racetrack measurements of dynamic surface properties. Methods Track-testing device (TTD) impact tests were conducted to simulate equine hoof impact on dirt and synthetic race surfaces; tests were performed both in situ (racetrack) and using laboratory reconstructions of harvested surface materials. Clegg Hammer in situ measurements were used to guide surface reconstruction in the laboratory. Dynamic surface properties were compared between in situ and laboratory settings. Relationships between racetrack TTD and Clegg Hammer measurements were analyzed using stepwise multiple linear regression. Results Most dynamic surface property setting differences (racetrack-laboratory) were small relative to surface material type differences (dirt-synthetic). Clegg Hammer measurements were more strongly correlated with TTD measurements on the synthetic surface than the dirt surface. On the dirt surface, Clegg Hammer decelerations were negatively correlated with TTD forces. Conclusions Laboratory reconstruction of racetrack surfaces guided by Clegg Hammer measurements yielded TTD impact measurements similar to in situ values. The negative correlation between TTD and Clegg Hammer measurements confirms the importance of instrument mass when drawing conclusions from testing results. Lighter impact devices may be less appropriate for assessing dynamic surface properties compared to testing equipment designed to simulate hoof impact (TTD
Dynamic and rheological properties of soft biological cell suspensions
Yazdani, Alireza; Li, Xuejin
2016-01-01
Quantifying dynamic and rheological properties of suspensions of soft biological particles such as vesicles, capsules, and red blood cells (RBCs) is fundamentally important in computational biology and biomedical engineering. In this review, recent studies on dynamic and rheological behavior of soft biological cell suspensions by computer simulations are presented, considering both unbounded and confined shear flow. Furthermore, the hemodynamic and hemorheological characteristics of RBCs in diseases such as malaria and sickle cell anemia are highlighted. PMID:27540271
Mass properties measurement system: Dynamics and statics measurements
NASA Technical Reports Server (NTRS)
Doty, Keith L.
1993-01-01
This report presents and interprets experimental data obtained from the Mass Properties Measurement System (MPMS). Statics measurements yield the center-of-gravity of an unknown mass and dynamics measurements yield its inertia matrix. Observations of the MPMS performance has lead us to specific design criteria and an understanding of MPMS limitations.
Lattice dynamics and thermoelectric properties of nanocrystalline silicon-germanium alloys
Claudio, Tania; Stein, Niklas; Peterman, Nils; ...
2015-10-26
The lattice dynamics and thermoelectric properties of sintered phosphorus-doped nanostructured silicon- germanium alloys obtained by gas-phase synthesis were studied. Measurements of the density of phonon states by inelastic neutron scattering were combined with measurements of the elastic constants and the low- temperature heat capacity. A strong influence of nanostructuring and alloying on the lattice dynamics was observed. The thermoelectric transport properties of samples with different doping as well as samples sintered at different temperature were characterized between room temperature and 1000C. A peak figure of merit zT = 0:88 at 900C is observed and comparatively insensitive to the aforementioned param-more » eter variations.« less
Graph Theoretic Foundations of Multibody Dynamics Part I: Structural Properties
Jain, Abhinandan
2011-01-01
This is the first part of two papers that use concepts from graph theory to obtain a deeper understanding of the mathematical foundations of multibody dynamics. The key contribution is the development of a unifying framework that shows that key analytical results and computational algorithms in multibody dynamics are a direct consequence of structural properties and require minimal assumptions about the specific nature of the underlying multibody system. This first part focuses on identifying the abstract graph theoretic structural properties of spatial operator techniques in multibody dynamics. The second part paper exploits these structural properties to develop a broad spectrum of analytical results and computational algorithms. Towards this, we begin with the notion of graph adjacency matrices and generalize it to define block-weighted adjacency (BWA) matrices and their 1-resolvents. Previously developed spatial operators are shown to be special cases of such BWA matrices and their 1-resolvents. These properties are shown to hold broadly for serial and tree topology multibody systems. Specializations of the BWA and 1-resolvent matrices are referred to as spatial kernel operators (SKO) and spatial propagation operators (SPO). These operators and their special properties provide the foundation for the analytical and algorithmic techniques developed in the companion paper. We also use the graph theory concepts to study the topology induced sparsity structure of these operators and the system mass matrix. Similarity transformations of these operators are also studied. While the detailed development is done for the case of rigid-link multibody systems, the extension of these techniques to a broader class of systems (e.g. deformable links) are illustrated. PMID:22102790
Dynamical properties of epitaxial ferroelectric superlattices
NASA Astrophysics Data System (ADS)
Kim, Y.; Gerhardt, R. A.; Erbil, A.
1997-04-01
The dynamical properties of epitaxial ferroelectric heterostructures have been investigated by studying the dielectric behavior under external electric field. A phenomenon with a giant permittivity was observed. At low frequencies, real permittivities as high as 420 000 have been measured. Real and imaginary parts of the dielectric constant show large dispersion at high frequencies. In dc measurements, a nonlinear resistance is observed with a well-defined threshold field, correlating with the dc bias-field dependence of ac permittivities. We model these observations as a result of the motion of pinned domain-wall lattices, having sliding-mode motion at high electric fields. The good agreement between the experimental and theoretical results suggests that the deposited interdigitated electrode pattern plays a crucial role in controlling domain-wall dynamics. The pinning of the domain wall comes from a nucleation barrier to the creation of new domain walls.
Dynamical topology and statistical properties of spatiotemporal chaos.
Zhuang, Quntao; Gao, Xun; Ouyang, Qi; Wang, Hongli
2012-12-01
For spatiotemporal chaos described by partial differential equations, there are generally locations where the dynamical variable achieves its local extremum or where the time partial derivative of the variable vanishes instantaneously. To a large extent, the location and movement of these topologically special points determine the qualitative structure of the disordered states. We analyze numerically statistical properties of the topologically special points in one-dimensional spatiotemporal chaos. The probability distribution functions for the number of point, the lifespan, and the distance covered during their lifetime are obtained from numerical simulations. Mathematically, we establish a probabilistic model to describe the dynamics of these topologically special points. In spite of the different definitions in different spatiotemporal chaos, the dynamics of these special points can be described in a uniform approach.
Geometric Modeling of Construction Communications with Specified Dynamic Properties
NASA Astrophysics Data System (ADS)
Korotkiy, V. A.; Usmanova, E. A.; Khmarova, L. I.
2017-11-01
Among many construction communications the pipelines designed for the organized supply or removal of liquid or loose working bodies are distinguished for their functional purpose. Such communications should have dynamic properties which allow one to reduce losses on friction and vortex formation. From the point of view of geometric modeling, the given dynamic properties of the projected communication mean the required degree of smoothness of its center line. To model the axial line (flat or spatial), it is proposed to use composite curve lines consisting of the curve arcs of the second order or from their quadratic images. The advantage of the proposed method is that the designer gets the model of a given curve not as a set of coordinates of its points but in the form of a matrix of coefficients of the canonical equations for each arc.
Dynamical and Physical Properties of 65803 Didymos, the AIDA Mission Target
NASA Astrophysics Data System (ADS)
Campo Bagatin, A.; Richardson, D. C.; Tsiganis, K.; Cheng, A. F.; Michel, P.
2017-09-01
The near-Earth asteroid (NEA) 65803 Didymos is a binary system and is the target of the proposed Asteroid Impact & Deflection Assessment (AIDA) mission, which combines an orbiter (Asteroid Impact Mission, AIM, or the reduced-scope AIM Deflection Demonstration, AIM-D2) [1, 2] and a kinetic impactor experiment (Double Asteroid Redirection Test, DART) planned to impact the secondary of the Didymos binary system in October, 2022 [3]. The Dynamical and Physical Properties of Didymos Working Group supports the AIDA mission by addressing questions related to understanding the dynamical state of the system and inferring the physical properties of the components
Dynamical properties and extremes of Northern Hemisphere climate fields over the past 60 years
NASA Astrophysics Data System (ADS)
Faranda, Davide; Messori, Gabriele; Alvarez-Castro, M. Carmen; Yiou, Pascal
2017-12-01
Atmospheric dynamics are described by a set of partial differential equations yielding an infinite-dimensional phase space. However, the actual trajectories followed by the system appear to be constrained to a finite-dimensional phase space, i.e. a strange attractor. The dynamical properties of this attractor are difficult to determine due to the complex nature of atmospheric motions. A first step to simplify the problem is to focus on observables which affect - or are linked to phenomena which affect - human welfare and activities, such as sea-level pressure, 2 m temperature, and precipitation frequency. We make use of recent advances in dynamical systems theory to estimate two instantaneous dynamical properties of the above fields for the Northern Hemisphere: local dimension and persistence. We then use these metrics to characterize the seasonality of the different fields and their interplay. We further analyse the large-scale anomaly patterns corresponding to phase-space extremes - namely time steps at which the fields display extremes in their instantaneous dynamical properties. The analysis is based on the NCEP/NCAR reanalysis data, over the period 1948-2013. The results show that (i) despite the high dimensionality of atmospheric dynamics, the Northern Hemisphere sea-level pressure and temperature fields can on average be described by roughly 20 degrees of freedom; (ii) the precipitation field has a higher dimensionality; and (iii) the seasonal forcing modulates the variability of the dynamical indicators and affects the occurrence of phase-space extremes. We further identify a number of robust correlations between the dynamical properties of the different variables.
Q-balls of quasi-particles in a (2, 0)-theory model of the fractional quantum Hall effect
NASA Astrophysics Data System (ADS)
Ganor, Ori J.; Hong, Yoon Pyo; Moore, Nathan; Sun, Hao-Yu; Tan, Hai Siong; Torres-Chicon, Nesty R.
2015-09-01
A toy model of the fractional quantum Hall effect appears as part of the low-energy description of the Coulomb branch of the A 1 (2 , 0)-theory formulated on ({S}^1× {{R}}^2)/{{Z}}_k , where the generator of {{Z}}_k acts as a combination of translation on S 1 and rotation by 2 π/k on {{R}}^2 . At low energy the configuration is described in terms of a 4+1D Super-Yang-Mills theory on a cone ({{R}}^2/{{Z}}_k) with additional 2+1D degrees of freedom at the tip of the cone that include fractionally charged particles. These fractionally charged "quasi-particles" are BPS strings of the (2 , 0)-theory wrapped on short cycles. We analyze the large k limit, where a smooth cigar-geometry provides an alternative description. In this framework a W-boson can be modeled as a bound state of k quasi-particles. The W-boson becomes a Q-ball, and it can be described as a soliton solution of Bogomolnyi monopole equations on a certain auxiliary curved space. We show that axisymmetric solutions of these equations correspond to singular maps from AdS 3 to AdS 2, and we present some numerical results and an asymptotic expansion.
Dynamic properties of hydrogels and fiber-reinforced hydrogels.
Martin, Nicholas; Youssef, George
2018-06-07
Hydrophilic polymers, or hydrogels, are used for a wide variety of biomedical applications, due to their inherent ability to withhold a high-water content. In recent years, a large effort has been focused on tailoring the mechanical properties of these hydrogels to become more appropriate materials for use as anatomical and physiological structural supports. A few of these such methods include using diverse types of polymers, both natural and synthetic, varying the type of molecular cross-linking, as well as combining these efforts to form interpenetrating polymer network hydrogels. While multiple research groups have characterized these various hydrogels under quasi-static conditions, their dynamic properties, representative of native physiological loading scenarios, have been scarcely reported. In this study, an E-glass fiber reinforced family of alginate/PAAm hydrogels cross-linked by both divalent and trivalent cations are fabricated and investigated. The effect of the reinforcement phase on the dynamic and hydration behaviors is then explicated. Additionally, a micromechanics framework for short cylindrical chopped fibers is utilized to discern the contribution of the matrix and fiber constituents on the hydrogel composite. The addition of E-glass fibers resulted in the storage modulus exhibiting a ~50%, 5%, and ~120%, increase with a mere addition of 2 wt% of the reinforcing fibers to Na-, Sr-, and Al-alginate/PAAm, respectively. In studying the cross-linking effect of various divalent (Ba, Ca, Sr) and trivalent (Al, Fe) cations, it was noteworthy that the hydrogels were found to be effective in dissipating energy while resisting mechanical deformation when they are cross-linked with higher molecular weight elements, regardless of valency. This report on the dynamic properties of these hydrogels will help to improve their optimization for future use in biomedical load-bearing applications. Copyright © 2018 Elsevier Ltd. All rights reserved.
Krishnan, Ranjani; Walton, Emily B; Van Vliet, Krystyn J
2009-11-01
As computational resources increase, molecular dynamics simulations of biomolecules are becoming an increasingly informative complement to experimental studies. In particular, it has now become feasible to use multiple initial molecular configurations to generate an ensemble of replicate production-run simulations that allows for more complete characterization of rare events such as ligand-receptor unbinding. However, there are currently no explicit guidelines for selecting an ensemble of initial configurations for replicate simulations. Here, we use clustering analysis and steered molecular dynamics simulations to demonstrate that the configurational changes accessible in molecular dynamics simulations of biomolecules do not necessarily correlate with observed rare-event properties. This informs selection of a representative set of initial configurations. We also employ statistical analysis to identify the minimum number of replicate simulations required to sufficiently sample a given biomolecular property distribution. Together, these results suggest a general procedure for generating an ensemble of replicate simulations that will maximize accurate characterization of rare-event property distributions in biomolecules.
Quasiparticle Scattering in Type-II Weyl semimetal MoTe2.
Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki
2018-01-30
The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe<sub>2</sub>) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to thorough understanding of the topological electronic structure of type-II Weyl semimetal MoTe<sub>2</sub>. © 2018 IOP Publishing Ltd.
Lavoratti, Alessandra; Scienza, Lisete Cristine; Zattera, Ademir José
2016-01-20
Composites of unsaturated polyester resin (UPR) and cellulose nanofibers (CNFs) obtained from dry cellulose waste of softwood (Pinus sp.) and hardwood (Eucalyptus sp.) were developed. The fiber properties and the influence of the CNFs in the dynamic-mechanical and thermomechanical properties of the composites were evaluated. CNFs with a diameter of 70-90 nm were obtained. Eucalyptus sp. has higher α-cellulose content than Pinus sp. fibers. The crystallinity of the cellulose pulps decreased after grinding. However, high values were still obtained. The chemical composition of the fibers was not significantly altered by the grinding process. Eucalyptus sp. CNF composites had water absorption close to the neat resin at 1 wt% filler. The dynamic-mechanical properties of Eucalyptus sp. CNFs were slightly increased and the thermal stability was improved. Copyright © 2015 Elsevier Ltd. All rights reserved.
Wang, Yuliang; Wang, Huimin; Bi, Shusheng; Guo, Bin
2016-01-01
The dynamic wetting properties of atomic force microscopy (AFM) tips are of much concern in many AFM-related measurement, fabrication, and manipulation applications. In this study, the wetting properties of silicon and silicon nitride AFM tips are investigated through dynamic contact angle measurement using a nano-Wilhelmy balance based method. This is done by capillary force measurement during extension and retraction motion of AFM tips relative to interfacial nanobubbles. The working principle of the proposed method and mathematic models for dynamic contact angle measurement are presented. Geometric models of AFM tips were constructed using scanning electronic microscopy (SEM) images taken from different view directions. The detailed process of tip-nanobubble interaction was investigated using force-distance curves of AFM on nanobubbles. Several parameters including nanobubble height, adhesion and capillary force between tip and nanobubbles are extracted. The variation of these parameters was studied over nanobubble surfaces. The dynamic contact angles of the AFM tips were calculated from the capillary force measurements. The proposed method provides direct measurement of dynamic contact angles for AFM tips and can also be taken as a general approach for nanoscale dynamic wetting property investigation. PMID:27452115
NASA Astrophysics Data System (ADS)
Wang, Yuliang; Wang, Huimin; Bi, Shusheng; Guo, Bin
2016-07-01
The dynamic wetting properties of atomic force microscopy (AFM) tips are of much concern in many AFM-related measurement, fabrication, and manipulation applications. In this study, the wetting properties of silicon and silicon nitride AFM tips are investigated through dynamic contact angle measurement using a nano-Wilhelmy balance based method. This is done by capillary force measurement during extension and retraction motion of AFM tips relative to interfacial nanobubbles. The working principle of the proposed method and mathematic models for dynamic contact angle measurement are presented. Geometric models of AFM tips were constructed using scanning electronic microscopy (SEM) images taken from different view directions. The detailed process of tip-nanobubble interaction was investigated using force-distance curves of AFM on nanobubbles. Several parameters including nanobubble height, adhesion and capillary force between tip and nanobubbles are extracted. The variation of these parameters was studied over nanobubble surfaces. The dynamic contact angles of the AFM tips were calculated from the capillary force measurements. The proposed method provides direct measurement of dynamic contact angles for AFM tips and can also be taken as a general approach for nanoscale dynamic wetting property investigation.
Size-dependent impact of CNTs on dynamic properties of calmodulin.
Gao, Jian; Wang, Liming; Kang, Seung-gu; Zhao, Lina; Ji, Mingjuan; Chen, Chunying; Zhao, Yuliang; Zhou, Ruhong; Li, Jingyuan
2014-11-07
There are growing concerns about the biosafety of nanomaterials such as carbon nanotubes (CNTs) as their applications become more widespread. We report here a theoretical and experimental study of the binding of various sizes of CNTs [CNT (4,4), (5,5), (6,6) and (7,7)] to calmodulin (CaM) protein and, in particular, their impact on the Ca(2+)-dependent dynamic properties of CaM. Our simulations show that all the CNTs can plug into the hydrophobic binding pocket of Ca(2+)-bound CaM with binding affinities comparable with the native substrate M13 peptide. Even though CNT (4,4) shows a similar behavior to the M13 peptide in its dissociation from Ca(2+)-free CaM, wider CNTs still bind firmly to CaM, indicating a potential failure of Ca(2+) regulation. Such a size-dependent impact of CNTs on the dynamic properties of CaM is a result of the excessively strong hydrophobic interactions between the wider CNTs and CaM. These simulation results were confirmed by circular dichroism spectroscopy, which showed that the secondary structures of CaM become insensitive to Ca(2+) concentrations after the addition of CNTs. Our findings indicate that the cytotoxicity of nanoparticles to proteins arises not only from the inhibition of static protein structures (binding pockets), but also from impacts on their dynamic properties.
Jiang, Shangyuan; Gan, Rong Z
2018-04-01
The incudostapedial joint (ISJ) is a synovial joint connecting the incus and stapes in the middle ear. Mechanical properties of the ISJ directly affect sound transmission from the tympanic membrane to the cochlea. However, how ISJ properties change with frequency has not been investigated. In this paper, we report the dynamic properties of the human ISJ measured in eight samples using a dynamic mechanical analyzer (DMA) for frequencies from 1 to 80 Hz at three temperatures of 5, 25 and 37 °C. The frequency-temperature superposition (FTS) principle was used to extrapolate the results to 8 kHz. The complex modulus of ISJ was measured with a mean storage modulus of 1.14 MPa at 1 Hz that increased to 3.01 MPa at 8 kHz, and a loss modulus that increased from 0.07 to 0.47 MPa. A 3-dimensional finite element (FE) model consisting of the articular cartilage, joint capsule and synovial fluid was then constructed to derive mechanical properties of ISJ components by matching the model results to experimental data. Modeling results showed that mechanical properties of the joint capsule and synovial fluid affected the dynamic behavior of the joint. This study contributes to a better understanding of the structure-function relationship of the ISJ for sound transmission. Copyright © 2018. Published by Elsevier Ltd.
The number comb for a soil physical properties dynamic measurement
NASA Astrophysics Data System (ADS)
Olechko, K.; Patiño, P.; Tarquis, A. M.
2012-04-01
We propose the prime numbers distribution extracted from the soil digital multiscale images and some physical properties time series as the precise indicator of the spatial and temporal dynamics under soil management changes. With this new indicator the soil dynamics can be studied as a critical phenomenon where each phase transition is estimated and modeled by the graph partitioning induced phase transition. The critical point of prime numbers distribution was correlated with the beginning of Andosols, Vertisols and saline soils physical degradation under the unsustainable soil management in Michoacan, Guanajuato and Veracruz States of Mexico. The data banks corresponding to the long time periods (between 10 and 28 years) were statistically compared by RISK 5.0 software and our own algorithms. Our approach makes us able to distill free-form natural laws of soils physical properties dynamics directly from the experimental data. The Richter (1987) and Schmidt and Lipson (2009) original approaches were very useful to design the algorithms to identify Hamiltonians, Lagrangians and other laws of geometric and momentum conservation especially for erosion case.
Optical and thermal-transport properties of an inhomogeneous d-wave superconductor.
Atkinson, W A; Hirschfeld, P J
2002-05-06
We calculate transport properties of disordered 2D d-wave superconductors from solutions of the Bogoliubov-de Gennes equations, and show that weak localization effects give rise to a finite-frequency peak in the optical conductivity similar to that observed in experiments on disordered cuprates. At low energies, order parameter inhomogeneities induce linear and quadratic temperature dependencies in microwave and thermal conductivities respectively, and appear to drive the system towards a quasiparticle insulating phase.
Analysis of dynamic properties for a composite robotic arm at intermediate strain rate
NASA Astrophysics Data System (ADS)
Lin, Jin-Chein
The dynamic mechanical properties of any structure are governed by the storage moduli representing the stiffness and loss moduli representing the internal damping capacity. The dynamic mechanical behavior of a graphite epoxy composite laminate in flexural vibration has been investigated. This study presents the results of a theoretical and experimental effort to determine the dynamic properties of multilaminate composites. The effects of fiber orientation and vibration frequency for both unidirectional tape and Kevlar fabric were studied both analytically and experimentally. Measurement of storage and loss moduli were presented for laminated double cantilever beams of fiber reinforced composite with frequency range from 8 to 1230 Hz (up to 5th mode).
Predicting atmospheric states from local dynamical properties of the underlying attractor
NASA Astrophysics Data System (ADS)
Faranda, Davide; Rodrigues, David; Alvarez-Castro, M. Carmen; Messori, Gabriele; Yiou, Pascal
2017-04-01
Mid-latitude flows are characterized by a chaotic dynamics and recurring patterns hinting to the existence of an atmospheric attractor. In 1963 Lorenz described this object as: "the collection of all states that the system can assume or approach again and again, as opposed to those that it will ultimately avoid" and analyzed a low dimensional system describing a convective dynamics whose attractor has the shape of a butterfly. Since then, many studies try to find equivalent of the Lorenz butterfly in the complex atmospheric dynamics. Most of the studies where focused to determine the average dimension D of the attractor i.e. the number of degrees of freedom sufficient to describe the atmospheric circulation. However, obtaining reliable estimates of D has proved challenging. Moreover, D does not provide information on transient atmospheric motions, such as those leading to weather extremes. Using recent developments in dynamical systems theory, we show that such motions can be classified through instantaneous rather than average properties of the attractor. The instantaneous properties are uniquely determined by instantaneous dimension and stability. Their extreme values correspond to specific atmospheric patterns, and match extreme weather occurrences. We further show the existence of a significant correlation between the time series of instantaneous stability and dimension and the mean spread of sea-level pressure fields in an operational ensemble weather forecast at lead times of over two weeks. Instantaneous properties of the attractor therefore provide an efficient way of evaluating and informing operational weather forecasts.
Investigating the Intersession Reliability of Dynamic Brain-State Properties.
Smith, Derek M; Zhao, Yrian; Keilholz, Shella D; Schumacher, Eric H
2018-06-01
Dynamic functional connectivity metrics have much to offer to the neuroscience of individual differences of cognition. Yet, despite the recent expansion in dynamic connectivity research, limited resources have been devoted to the study of the reliability of these connectivity measures. To address this, resting-state functional magnetic resonance imaging data from 100 Human Connectome Project subjects were compared across 2 scan days. Brain states (i.e., patterns of coactivity across regions) were identified by classifying each time frame using k means clustering. This was done with and without global signal regression (GSR). Multiple gauges of reliability indicated consistency in the brain-state properties across days and GSR attenuated the reliability of the brain states. Changes in the brain-state properties across the course of the scan were investigated as well. The results demonstrate that summary metrics describing the clustering of individual time frames have adequate test/retest reliability, and thus, these patterns of brain activation may hold promise for individual-difference research.
NASA Astrophysics Data System (ADS)
Wen, Hai-Hu; Fang, Delong; Du, Zengyi; Wang, Zhenyu; Yang, Huan; Ding, Xiaxin
2015-03-01
We have conducted STM/STS investigations on the KFe2As2 superconducting single crystals down to 0.45 K under magnetic field. Clear electronic standing waves have been observed allowing us to investigate the quasiparticle interference (QPI). Interestingly we observed a sharp peak of local density of states (LDOS) near the Fermi energy showing evidence of strongly enhanced DOS both below and above Tc. We demonstrate that this is induced by a van Hove singularity with the saddle point locating only 4 meV below the Fermi energy. Below Tc it is found that only 20% of the normal state DOS is gapped away by superconductivity, with the major part of DOS due to VHS ungapped. Combing with the ARPES data, we find that the VHS points locate on the (π,0) point, which gives strong constraint on the gap function and pairing mechanism. In the mixed state we clearly observed the mixture of vortices and the standing waves due to quasiparticle interference, giving support to above picture. In collaboration with X. Shi, P. Richard, T. Qian and H. Ding et al. in Institute of Physics, CAS.
Novel Quantum States with Exotic Spin Properties - Unconventional Generalization of Magnetism
2011-12-30
including journal references, in the following categories: PaperReceived Wei-Cheng Lee, D. P. Arovas, Congjun Wu. Quasiparticle interference in the...Zhang. Quasiparticle interference on the surface of the topological insulator Bi2Te3, Physical Review B, (12 2009): . doi: 2010/01/29 14:52:09 7 W... quasiparticle excitations. A successful observation of such mode will be a demonstration of the completion between s± and dx2−y2 pairings. 4.2
Transient carrier dynamics in a Mott insulator with antiferromagnetic order
NASA Astrophysics Data System (ADS)
Iyoda, Eiki; Ishihara, Sumio
2014-03-01
We study transient dynamics of hole carriers injected into a Mott insulator with antiferromagnetic long-range order. This "dynamical hole doping" contrasts with chemical hole doping. The theoretical framework for the transient carrier dynamics is presented based on the two-dimensional t-J model. The time dependencies of the optical conductivity spectra, as well as the one-particle excitation spectra, are calculated based on the Keldysh Green's function formalism at zero temperature combined with the self-consistent Born approximation. In the early stage after dynamical hole doping, the Drude component appears, and then incoherent components originating from hole-magnon scattering start to grow. Fast oscillatory behavior owing to coherent magnon and slow relaxation dynamics are confirmed in the spectra. The time profiles are interpreted as doped bare holes being dressed by magnon clouds and relaxed into spin polaron quasiparticle states. The characteristic relaxation times for Drude and incoherent peaks strongly depend on the momentum of the dynamically doped hole and the exchange constant. Implications for recent pump-probe experiments are discussed.
NASA Astrophysics Data System (ADS)
Ekino, T.; Gabovich, A. M.; Li, Mai Suan; Szymczak, H.; Voitenko, A. I.
2017-12-01
Quasiparticle tunnel conductance-voltage characteristics (CVCs), G(V) , were calculated for break junctions (BJs) made up of layered d-wave superconductors partially gapped by charge-density waves (CDWs). The current is assumed to flow in the ab-plane of electrodes. The influence of CDWs is analyzed by comparing the resulting CVCs with CVCs calculated for BJs made up of pure d-wave superconductors with relevant parameters. The main CDW-effects were found to be the appearance of new CVC peculiarities and the loss of CVC symmetry with respect to the V-sign. Tunnel directionality was shown to be one of the key factors in the formation of G(V) dependences. In particular, the orientation of electrodes with respect to the current channel becomes very important. As a result, G(V) can acquire a large variety of forms similar to those for tunnel junctions between superconductors with s-wave, d-wave, and mixed symmetry of their order parameters. The diversity of peculiarities is especially striking at finite temperatures. In the case of BJs made up of pure d-wave superconductors, the resulting CVC can include a two-peak gap-driven structure. The results were compared with the experimental BJ data for a number of high-T c oxides. It was shown that the large variety of the observed current-voltage characteristics can be interpreted in the framework of our approach. Thus, quasiparticle tunnel currents in the ab-plane can be used as an additional mean to detect CDWs competing with superconductivity in cuprates or other layered superconductors.
Ekino, T; Gabovich, A M; Suan Li, Mai; Szymczak, H; Voitenko, A I
2017-12-20
Quasiparticle tunnel conductance-voltage characteristics (CVCs), [Formula: see text], were calculated for break junctions (BJs) made up of layered d-wave superconductors partially gapped by charge-density waves (CDWs). The current is assumed to flow in the ab-plane of electrodes. The influence of CDWs is analyzed by comparing the resulting CVCs with CVCs calculated for BJs made up of pure d-wave superconductors with relevant parameters. The main CDW-effects were found to be the appearance of new CVC peculiarities and the loss of CVC symmetry with respect to the V-sign. Tunnel directionality was shown to be one of the key factors in the formation of [Formula: see text] dependences. In particular, the orientation of electrodes with respect to the current channel becomes very important. As a result, [Formula: see text] can acquire a large variety of forms similar to those for tunnel junctions between superconductors with s-wave, d-wave, and mixed symmetry of their order parameters. The diversity of peculiarities is especially striking at finite temperatures. In the case of BJs made up of pure d-wave superconductors, the resulting CVC can include a two-peak gap-driven structure. The results were compared with the experimental BJ data for a number of high-T c oxides. It was shown that the large variety of the observed current-voltage characteristics can be interpreted in the framework of our approach. Thus, quasiparticle tunnel currents in the ab-plane can be used as an additional mean to detect CDWs competing with superconductivity in cuprates or other layered superconductors.
Atomic structure and dynamics properties of Cu50Zr50 films
NASA Astrophysics Data System (ADS)
Chen, Heng; Qu, Bingyan; Li, Dongdong; Zhou, Rulong; Zhang, Bo
2018-01-01
In this paper, the structural and dynamic properties of Cu50Zr50 films are investigated by molecular dynamics simulations. Our results show that the dynamics of the surface atoms are much faster than those of the bulk. Especially, the diffusion coefficient of the surface atoms is about forty times larger than that of the bulk at 600 K, which qualitatively agrees with the experimental results. Meanwhile, we find that the population of the icosahedral (-like) clusters in the surface region is obviously higher than that of the bulk, which prevents the surface from crystallization. A new method to determine the string-like collective atomic motion is introduced in the paper, and it suggests a possible connection between the glass formation ability and collective atomic motion. By using the method, the effects of surface on collective motion are illustrated. Our results show that the string-like collective atomic motion of surface atoms is weakened while that of the interior atoms is strengthened. The studies clearly explain the effects of surface on the structural and dynamic properties of Cu50Zr50 films from the atomic scale.
Two quasiparticles plus rotor model calculation for odd-odd nuclei in the A=160 region
NASA Astrophysics Data System (ADS)
Renrong, Zheng; Shunquan, Zhu; Yunwei, Pu
1997-07-01
The axially symmetric rotor plus quasiparticle model for an odd nucleus is generalized to the odd-odd nucleus and special attention is paid to the model basis accounting for γ vibration perturbation around axial symmetry. The method presented in this paper is used for a number of realistic nuclei in the A=160 mass region. Two slightly different calculation schemes are put into practice. The first calculation gives results in qualitative agreement with experiments and the second calculation provides remarkable improvements to the first. A possible explanation of the mechanism for signature inversion of odd-odd nuclei is discussed.
Microwave amplification based on quasiparticle SIS up and down frequency converters
NASA Astrophysics Data System (ADS)
Kojima, T.; Uzawa, Y.; Shan, W.
2018-02-01
Heterodyne instruments have recently attained quantum-limited low-noise performance, particularly in radio astronomy, but it is difficult to develop large heterodyne arrays such as a modern radio camera using cryogenic sensitive detectors based on microwave kinetic inductance detectors, transition edge sensors, etc. In the realization of the heterodyne array, the reduction of power dissipation for semiconductor-based amplifiers remains a major challenge. Alternatively, superconducting parametric amplifiers still seem to have several barriers to application, especially in terms of operating temperature. Here, we show a novel concept of microwave amplification based on up and down frequency-conversion processes using quasiparticle superconductor-insulator-superconductor (SIS) tunnel junctions. We demonstrate positive gain using a proof-of-concept test module, which operates with a power dissipation of several μW at a bath temperature of 4 K. The performance of the module suggests great potential for application in large arrays.
RF Control and Measurement of Superconducting Qubits
2015-02-14
Schoelkopf, Leonid I. Glazman, Michel H. Devoret. Coherent suppression of electromagnetic dissipation due to superconducting quasiparticles ...Frunzio, L.?I. Glazman, M.?H. Devoret. Non-Poissonian Quantum Jumps of a Fluxonium Qubit due to Quasiparticle Excitations, Physical Review Letters...Devoret, G. Catelani, L. I. Glazman, R. J. Schoelkopf. Measurement and control of quasiparticle dynamics in a superconducting qubit, Nature
Cartagena, Alexander; Raman, Arvind
2014-01-01
The measurement of viscoelasticity of cells in physiological environments with high spatio-temporal resolution is a key goal in cell mechanobiology. Traditionally only the elastic properties have been measured from quasi-static force-distance curves using the atomic force microscope (AFM). Recently, dynamic AFM-based methods have been proposed to map the local in vitro viscoelastic properties of living cells with nanoscale resolution. However, the differences in viscoelastic properties estimated from such dynamic and traditional quasi-static techniques are poorly understood. In this work we quantitatively reconstruct the local force and dissipation gradients (viscoelasticity) on live fibroblast cells in buffer solutions using Lorentz force excited cantilevers and present a careful comparison between mechanical properties (local stiffness and damping) extracted using dynamic and quasi-static force spectroscopy methods. The results highlight the dependence of measured viscoelastic properties on both the frequency at which the chosen technique operates as well as the interactions with subcellular components beyond certain indentation depth, both of which are responsible for differences between the viscoelasticity property maps acquired using the dynamic AFM method against the quasi-static measurements. PMID:24606928
Topology Property and Dynamic Behavior of a Growing Spatial Network
NASA Astrophysics Data System (ADS)
Cao, Xian-Bin; Du, Wen-Bo; Hu, Mao-Bin; Rong, Zhi-Hai; Sun, Peng; Chen, Cai-Long
In this paper, we propose a growing spatial network (GSN) model and investigate its topology properties and dynamical behaviors. The model is generated by adding one node i with m links into a square lattice at each time step and the new node i is connected to the existing nodes with probabilities proportional to: ({kj})α /dij2, where kj is the degree of node j, α is the tunable parameter and dij is the Euclidean distance between i and j. It is found that both the degree heterogeneity and the clustering coefficient monotonously increase with the increment of α, while the average shortest path length monotonously decreases. Moreover, the evolutionary game dynamics and network traffic dynamics are investigated. Simulation results show that the value of α can also greatly influence the dynamic behaviors.
Zhang, Du; Su, Neil Qiang; Yang, Weitao
2017-07-20
The GW self-energy, especially G 0 W 0 based on the particle-hole random phase approximation (phRPA), is widely used to study quasiparticle (QP) energies. Motivated by the desirable features of the particle-particle (pp) RPA compared to the conventional phRPA, we explore the pp counterpart of GW, that is, the T-matrix self-energy, formulated with the eigenvectors and eigenvalues of the ppRPA matrix. We demonstrate the accuracy of the T-matrix method for molecular QP energies, highlighting the importance of the pp channel for calculating QP spectra.
Dynamical Symmetry Breaking in Models of Spinor Fields with Quartic Interactions in (1+1) Dimensions
NASA Astrophysics Data System (ADS)
Wang, Rhung-tai; Ni, Guang-jiong
1982-07-01
A nonperturbative method, namely, variational method together with canonical transformations, is developed to study dynamical symmetry breaking. This method has been applied in the models of two dimensional massless fermion fields with quartic interactions. The results imply that the mechanism of dynamical symmetry breaking bears some analogy to the phenomenon of superconductivity. The new vacuum \\mid \\tilde{0}> is just a relativistic BCS groundstate, In this vacuum \\mid ^≈0>, we can observe a quasi-particle with mass "MF" Furthermore, correlative vacuum \\mid ^≈0> exists and the mesons emerge with masses "O" and "2MF". It is also shown that dynamical symmetry breaking always occurs in the models with infrared slavery and asymptotic freedom, while it is meaningless to discuss dynamical symmetry breaking in infrared stable theory.
Macroscopic Source Properties from Dynamic Rupture Styles in Plastic Media
NASA Astrophysics Data System (ADS)
Gabriel, A.; Ampuero, J. P.; Dalguer, L. A.; Mai, P. M.
2011-12-01
High stress concentrations at earthquake rupture fronts may generate an inelastic off-fault response at the rupture tip, leading to increased energy absorption in the damage zone. Furthermore, the induced asymmetric plastic strain field in in-plane rupture modes may produce bimaterial interfaces that can increase radiation efficiency and reduce frictional dissipation. Off-fault inelasticity thus plays an important role for realistic predictions of near-fault ground motion. Guided by our previous studies in the 2D elastic case, we perform rupture dynamics simulations including rate-and-state friction and off-fault plasticity to investigate the effects on the rupture properties. We quantitatively analyze macroscopic source properties for different rupture styles, ranging from cracks to pulses and subshear to supershear ruptures, and their transitional mechanisms. The energy dissipation due to off-fault inelasticity modifies the conditions to obtain each rupture style and alters macroscopic source properties. We examine apparent fracture energy, rupture and healing front speed, peak slip and peak slip velocity, dynamic stress drop and size of the process and plastic zones, slip and plastic seismic moment, and their connection to ground motion. This presentation focuses on the effects of rupture style and off-fault plasticity on the resulting ground motion patterns, especially on characteristic slip velocity function signatures and resulting seismic moments. We aim at developing scaling rules for equivalent elastic models, as function of background stress and frictional parameters, that may lead to improved "pseudo-dynamic" source parameterizations for ground-motion calculation. Moreover, our simulations provide quantitative relations between off-fault energy dissipation and macroscopic source properties. These relations might provide a self-consistent theoretical framework for the study of the earthquake energy balance based on observable earthquake source parameters.
Mechanical, Thermal and Dynamic Mechanical Properties of PP/GF/xGnP Nanocomposites
NASA Astrophysics Data System (ADS)
Ashenai Ghasemi, F.; Ghorbani, A.; Ghasemi, I.
2017-03-01
The mechanical, thermal, and dynamic mechanical properties of ternary nanocomposites based on polypropylene, short glass fibers, and exfoliated graphene nanoplatelets were studied. To investigate the mechanical properties, uniaxial tensile and Charpy impact tests were carried out. To study the crystallinity of the compositions, a DSC test was performed. A dynamic mechanical analysis was used to characterize the storage modulus and loss factor (tan δ). The morphology of the composites was studied by a scanning electron microscope (SEM). The results obtained are presented in tables and graphics.
Neuhauser, Daniel; Gao, Yi; Arntsen, Christopher; Karshenas, Cyrus; Rabani, Eran; Baer, Roi
2014-08-15
We develop a formalism to calculate the quasiparticle energy within the GW many-body perturbation correction to the density functional theory. The occupied and virtual orbitals of the Kohn-Sham Hamiltonian are replaced by stochastic orbitals used to evaluate the Green function G, the polarization potential W, and, thereby, the GW self-energy. The stochastic GW (sGW) formalism relies on novel theoretical concepts such as stochastic time-dependent Hartree propagation, stochastic matrix compression, and spatial or temporal stochastic decoupling techniques. Beyond the theoretical interest, the formalism enables linear scaling GW calculations breaking the theoretical scaling limit for GW as well as circumventing the need for energy cutoff approximations. We illustrate the method for silicon nanocrystals of varying sizes with N_{e}>3000 electrons.
Dynamic properties of interfaces in soft matter: Experiments and theory
NASA Astrophysics Data System (ADS)
Sagis, Leonard M. C.
2011-10-01
The dynamic properties of interfaces often play a crucial role in the macroscopic dynamics of multiphase soft condensed matter systems. These properties affect the dynamics of emulsions, of dispersions of vesicles, of biological fluids, of coatings, of free surface flows, of immiscible polymer blends, and of many other complex systems. The study of interfacial dynamic properties, surface rheology, is therefore a relevant discipline for many branches of physics, chemistry, engineering, and life sciences. In the past three to four decades a vast amount of literature has been produced dealing with the rheological properties of interfaces stabilized by low molecular weight surfactants, proteins, (bio)polymers, lipids, colloidal particles, and various mixtures of these surface active components. In this paper recent experiments are reviewed in the field of surface rheology, with particular emphasis on the models used to analyze surface rheological data. Most of the models currently used are straightforward generalizations of models developed for the analysis of rheological data of bulk phases. In general the limits on the validity of these generalizations are not discussed. Not much use is being made of recent advances in nonequilibrium thermodynamic formalisms for multiphase systems, to construct admissible models for the stress-deformation behavior of interfaces. These formalisms are ideally suited to construct thermodynamically admissible constitutive equations for rheological behavior that include the often relevant couplings to other fluxes in the interface (heat and mass), and couplings to the transfer of mass from the bulk phase to the interface. In this review recent advances in the application of classical irreversible thermodynamics, extended irreversible thermodynamics, rational thermodynamics, extended rational thermodynamics, and the general equation for the nonequilibrium reversible-irreversible coupling formalism to multiphase systems are also discussed
Dynamic properties of epidemic spreading on finite size complex networks
NASA Astrophysics Data System (ADS)
Li, Ying; Liu, Yang; Shan, Xiu-Ming; Ren, Yong; Jiao, Jian; Qiu, Ben
2005-11-01
The Internet presents a complex topological structure, on which computer viruses can easily spread. By using theoretical analysis and computer simulation methods, the dynamic process of disease spreading on finite size networks with complex topological structure is investigated. On the finite size networks, the spreading process of SIS (susceptible-infected-susceptible) model is a finite Markov chain with an absorbing state. Two parameters, the survival probability and the conditional infecting probability, are introduced to describe the dynamic properties of disease spreading on finite size networks. Our results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks. Also, knowledge about the dynamic character of virus spreading is helpful for adopting immunity policy.
Viscoelastic properties of dendrimers in the melt from nonequlibrium molecular dynamics
NASA Astrophysics Data System (ADS)
Bosko, Jaroslaw T.; Todd, B. D.; Sadus, Richard J.
2004-12-01
The viscoelastic properties of dendrimers of generation 1-4 are studied using nonequilibrium molecular dynamics. Flow properties of dendrimer melts under shear are compared to systems composed of linear chain polymers of the same molecular weight, and the influence of molecular architecture is discussed. Rheological material properties, such as the shear viscosity and normal stress coefficients, are calculated and compared for both systems. We also calculate and compare the microscopic properties of both linear chain and dendrimer molecules, such as their molecular alignment, order parameters and rotational velocities. We find that the highly symmetric shape of dendrimers and their highly constrained geometry allows for substantial differences in their material properties compared to traditional linear polymers of equivalent molecular weight.
Leveraging Ensemble Dynamical Properties to Prioritize Exoplanet Follow-Up Observations
NASA Astrophysics Data System (ADS)
Ballard, Sarah
2017-01-01
The number of transiting exoplanets now exceeds several thousand, enabling ensemble studies of the dynamical properties of exoplanetary systems. We require a mixture model of dynamical conditions (whether frozen in from formation or sculpted by planet-planet interactions) to recover Kepler's yield of transiting planets. Around M dwarfs, which will be predominate sites of exoplanet follow-up atmospheric study in the next decade, even a modest orbital eccentricity can sterilize a planet. I will describe efforts to link cheap observables, such as number of transiting planets and presence of transit timing variations, to eccentricity and mutual inclination in exoplanet systems. The addition of a second transiting planet, for example, halves the expected orbital eccentricity. For the vast majority of TESS targets, the light curve alone will furnish the sum total of data about the exoplanet. Extracting information about orbital properties from these light curves will help prioritize precious follow-up resources.
Quasiparticle band structures and interface physics of SnS and GeS
NASA Astrophysics Data System (ADS)
Malone, Brad; Kaxiras, Efthimios
2013-03-01
Orthorhombic SnS and GeS are layered materials made of earth-abundant elements which have the potential to play a useful role in the massive scale up of renewable power necessary by 2050 to avoid unmanageable levels of climate change. We report on first principles calculations of the quasiparticle spectra of these two materials, predicting the type and magnitude of the fundamental band gap, a quantity which shows a strong degree of scatter in the experimental literature. Additionally, in order to evaluate the possible role of GeS as an electron-blocking layer in a SnS-based photovoltaic device, we investigate the band offsets of the interfaces between these materials along the three principle crystallographic directions. We find that while the valence-band offsets are similar along the three principle directions, the conduction-band offsets display a substantial amount of anisotropy.
Machine learning Z2 quantum spin liquids with quasiparticle statistics
NASA Astrophysics Data System (ADS)
Zhang, Yi; Melko, Roger G.; Kim, Eun-Ah
2017-12-01
After decades of progress and effort, obtaining a phase diagram for a strongly correlated topological system still remains a challenge. Although in principle one could turn to Wilson loops and long-range entanglement, evaluating these nonlocal observables at many points in phase space can be prohibitively costly. With growing excitement over topological quantum computation comes the need for an efficient approach for obtaining topological phase diagrams. Here we turn to machine learning using quantum loop topography (QLT), a notion we have recently introduced. Specifically, we propose a construction of QLT that is sensitive to quasiparticle statistics. We then use mutual statistics between the spinons and visons to detect a Z2 quantum spin liquid in a multiparameter phase space. We successfully obtain the quantum phase boundary between the topological and trivial phases using a simple feed-forward neural network. Furthermore, we demonstrate advantages of our approach for the evaluation of phase diagrams relating to speed and storage. Such statistics-based machine learning of topological phases opens new efficient routes to studying topological phase diagrams in strongly correlated systems.
Possible superconductivity in Sr₂IrO₄ probed by quasiparticle interference.
Gao, Yi; Zhou, Tao; Huang, Huaixiang; Wang, Qiang-Hua
2015-03-18
Based on the possible superconducting (SC) pairing symmetries recently proposed, the quasiparticle interference (QPI) patterns in electron- and hole-doped Sr₂IrO₄ are theoretically investigated. In the electron-doped case, the QPI spectra can be explained based on a model similar to the octet model of the cuprates while in the hole-doped case, both the Fermi surface topology and the sign of the SC order parameter resemble those of the iron pnictides and there exists a QPI vector resulting from the interpocket scattering between the electron and hole pockets. In both cases, the evolution of the QPI vectors with energy and their behaviors in the nonmagnetic and magnetic impurity scattering cases can well be explained based on the evolution of the constant-energy contours and the sign structure of the SC order parameter. The QPI spectra presented in this paper can be compared with future scanning tunneling microscopy experiments to test whether there are SC phases in electron- and hole-doped Sr₂IrO₄ and what the pairing symmetry is.
Nonequilibrium quantum field dynamics from the two-particle-irreducible effective action
NASA Astrophysics Data System (ADS)
Laurie, Nathan S.
The two-particle-irreducible effective action offers a powerful approach to the study of quantum field dynamics far from equilibrium. Recent and upcoming heavy ion collision experiments motivate the study of such nonequilibrium dynamics in an expanding space-time background. For the O(N) model I derive exact, causal evolution equations for the statistical and spectral functions in a longitudinally expanding system. It is followed by an investigation into how the expansion affects the prospect of the system reaching equilibrium. Results are obtained in 1+1 dimensions at next-to- leading order in loop- and 1/N-expansions of the 2PI effective action. I focus on the evolution of the statistical function from highly nonequilibrium initial conditions, presenting a detailed analysis of early, intermediate and late-time dynamics. It is found that dynamics at very early times is attracted by a nonthermal fixed point of the mean field equations, after which interactions attempt to drive the system to equilibrium. The competition between the interactions and the expansion is eventually won by the expansion, with so-called freeze-out emerging naturally in this description. In order to investigate the convergence of the 2PI-1/N expansion in the 0(N) model, I compare results obtained numerically in 1+1 dimensions at leading, next- to-leading and next-to-next-to-leading order in 1/N. Convergence with increasing N, and also with decreasing coupling are discussed. A comparison is also made in the classical statistical field theory limit, where exact numerical results are available. I focus on early-time dynamics and quasi-particle properties far from equilibrium and observe rapid effective convergence already for moderate values of 1/N or the coupling strength.
Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates
Kreisel, Andreas; Choubey, Peayush; Berlijn, Tom; ...
2015-05-27
We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov–de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed images of Zn on the surface of Bi 2Sr 2CaCu 2O 8 can only be understood by accounting for the tails of the Cu Wannier functions, which include significant weight on apical O sites in neighboring unit cells. This calculation thus puts earlier crude “filter” theories on a microscopic foundation and solves a long-standing puzzle. We then study quasiparticle interference phenomena induced by out-of-plane weak potentialmore » scatterers, and show how patterns long observed in cuprates can be understood in terms of the interference of Wannier functions above the surface. Furthermore, our results show excellent agreement with experiment and enable a better understanding of novel phenomena in the cuprates via STM imaging.« less
Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference.
Lin, Chun-Liang; Arafune, Ryuichi; Liu, Ro-Ya; Yoshimura, Masato; Feng, Baojie; Kawahara, Kazuaki; Ni, Zeyuan; Minamitani, Emi; Watanabe, Satoshi; Shi, Youguo; Kawai, Maki; Chiang, Tai-Chang; Matsuda, Iwao; Takagi, Noriaki
2017-11-28
Weyl semimetals (WSMs) are classified into two types, type I and II, according to the topology of the Weyl point, where the electron and hole pockets touch each other. Tungsten ditelluride (WTe 2 ) has garnered a great deal of attention as a strong candidate to be a type-II WSM. However, the Weyl points for WTe 2 are located above the Fermi level, which has prevented us from identifying the locations and the connection to the Fermi arc surface states by using angle-resolved photoemission spectroscopy. Here, we present experimental proof that WTe 2 is a type-II WSM. We measured energy-dependent quasiparticle interference patterns with a cryogenic scanning tunneling microscope, revealing the position of the Weyl point and its connection with the Fermi arc surface states, in agreement with prior theoretical predictions. Our results provide an answer to this crucial question and stimulate further exploration of the characteristics of WSMs.
Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates.
Kreisel, A; Choubey, Peayush; Berlijn, T; Ku, W; Andersen, B M; Hirschfeld, P J
2015-05-29
We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov-de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed images of Zn on the surface of Bi_{2}Sr_{2}CaCu_{2}O_{8} can only be understood by accounting for the tails of the Cu Wannier functions, which include significant weight on apical O sites in neighboring unit cells. This calculation thus puts earlier crude "filter" theories on a microscopic foundation and solves a long-standing puzzle. We then study quasiparticle interference phenomena induced by out-of-plane weak potential scatterers, and show how patterns long observed in cuprates can be understood in terms of the interference of Wannier functions above the surface. Our results show excellent agreement with experiment and enable a better understanding of novel phenomena in the cuprates via STM imaging.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, S.B.; Cohen, M.L.; Louie, S.G.
1990-05-15
A newly developed first-principles quasiparticle theory is used to calculate the band offset at the (001) interface and band gaps in 1{times}1 and 2{times}2 superlattices of GaAs-AlAs heterojunctions. We find a sizable many-body contribution to the valence-band offset which is dominated by the many-body corrections to bulk GaAs and AlAs quasiparticle energies. The resultant offset {Delta}{ital E}{sub {ital v}}=0.53{plus minus}0.05 eV is in good agreement with the recent experimental values of 0.50--0.56 eV. Our calculated direct band gaps for ultrathin superlattices are also in good agreement with experiment. The {ital X}{sub 1{ital c}}-derived state at point {bar {Gamma}}, is however,more » above the {Gamma}{sub 1{ital c}}-derived state for both the 1{times}1 and 2{times}2 lattices, contrary to results obtained under the virtual-crystal approximation (a limiting case for the Kronig-Penny model) and some previous local-density-approximation (corrected) calculations. The differences are explained in terms of atomic-scale localizations and many-body effects. Oscillator strengths and the effects of disorder on the spectra are discussed.« less
Molecular dynamics modelling of mechanical properties of polymers for adaptive aerospace structures
NASA Astrophysics Data System (ADS)
Papanikolaou, Michail; Drikakis, Dimitris; Asproulis, Nikolaos
2015-02-01
The features of adaptive structures depend on the properties of the supporting materials. For example, morphing wing structures require wing skin materials, such as rubbers that can withstand the forces imposed by the internal mechanism while maintaining the required aerodynamic properties of the aircraft. In this study, Molecular Dynamics and Minimization simulations are being used to establish well-equilibrated models of Ethylene-Propylene-Diene Monomer (EPDM) elastomer systems and investigate their mechanical properties.
Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; Tretiak, Sergei; Bair, Raymond A.; Gray, Stephen K.; Van Voorhis, Troy; Larsen, Ross E.; Darling, Seth B.
2017-01-01
Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. We propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower than most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. Much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs. PMID:28553494
Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals
NASA Astrophysics Data System (ADS)
Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.
2017-10-01
We present a code implementing the linearized quasiparticle self-consistent GW method (LQSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N3 scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method. Program Files doi:http://dx.doi.org/10.17632/cpchkfty4w.1 Licensing provisions: GNU General Public License Programming language: Fortran 90 External routines/libraries: BLAS, LAPACK, MPI (optional) Nature of problem: Direct implementation of the GW method scales as N4 with the system size, which quickly becomes prohibitively time consuming even in the modern computers. Solution method: We implemented the GW approach using a method that switches between real space and momentum space representations. Some operations are faster in real space, whereas others are more computationally efficient in the reciprocal space. This makes our approach scale as N3. Restrictions: The limiting factor is usually the memory available in a computer. Using 10 GB/core of memory allows us to study the systems up to 15 atoms per unit cell.
Experimental device for measuring the dynamic properties of diaphragm motors
NASA Astrophysics Data System (ADS)
Fojtášek, Kamil; Dvořák, Lukáš; Mejzlík, Jan
The subject of this paper is to design and description of the experimental device for the determination dynamic properties of diaphragm pneumatic motors. These motors are structurally quite different from conventional pneumatic linear cylinders. The working fluid is typically compressed air, the piston of motor is replaced by an elastic part and during the working cycle there is a contact of two elastic environments. In the manufacturers catalogs of these motors are not given any working characteristics. Description of the dynamic behavior of diaphragm motor will be used for verification of mathematical models.
Universality in the dynamical properties of seismic vibrations
NASA Astrophysics Data System (ADS)
Chatterjee, Soumya; Barat, P.; Mukherjee, Indranil
2018-02-01
We have studied the statistical properties of the observed magnitudes of seismic vibration data in discrete time in an attempt to understand the underlying complex dynamical processes. The observed magnitude data are taken from six different geographical locations. All possible magnitudes are considered in the analysis including catastrophic vibrations, foreshocks, aftershocks and commonplace daily vibrations. The probability distribution functions of these data sets obey scaling law and display a certain universality characteristic. To investigate the universality features in the observed data generated by a complex process, we applied Random Matrix Theory (RMT) in the framework of Gaussian Orthogonal Ensemble (GOE). For all these six places the observed data show a close fit with the predictions of RMT. This reinforces the idea of universality in the dynamical processes generating seismic vibrations.
Covariant kaon dynamics and kaon flow in heavy ion collisions
NASA Astrophysics Data System (ADS)
Zheng, Yu-Ming; Fuchs, C.; Faessler, Amand; Shekhter, K.; Yan, Yu-Peng; Kobdaj, Chinorat
2004-03-01
The influence of the chiral mean field on the K+ transverse flow in heavy ion collisions at SIS energy is investigated within covariant kaon dynamics. For the kaon mesons inside the nuclear medium a quasiparticle picture including scalar and vector fields is adopted and compared to the standard treatment with a static potential. It is confirmed that a Lorentz force from spatial component of the vector field provides an important contribution to the in-medium kaon dynamics and strongly counterbalances the influence of the vector potential on the K+ in-plane flow. The FOPI data can be reasonably described using in-medium kaon potentials based on effective chiral models. The information on the in-medium K+ potential extracted from kaon flow is consistent with the knowledge from other sources.
Unique Dynamic Properties of DNA Duplexes Containing Interstrand Crosslinks†
Friedman, Joshua I.; Jiang, Yu Lin; Miller, Paul S.; Stivers, James T.
2010-01-01
Bifunctional DNA alkylating agents form a diverse assortment of covalent DNA interstrand crosslinked (ICL) structures that are potent cytotoxins. Since it is implausible that cells could possess distinct DNA repair systems for each individual ICL, it is believed that common structural and dynamic features of ICL damage are recognized, rather than specific structural characteristics of each cross-linking agent. Investigation of the structural and dynamic properties of ICLs that might be important for recognition has been complicated by heterogeneous incorporation of these lesions into DNA. To address this problem we have synthesized and characterized several homogenous ICL-DNAs containing site–specific staggered N4-cytosine-ethyl-N4-cytosine crosslinks. Staggered crosslinks were introduced in two ways: in a manner that preserves the overall structure of B-form duplex DNA, and in a manner that highly distorts the DNA structure, with the goal of understanding how structural and dynamic properties of diverse ICL duplexes might flag these sites for repair. Measurements of base pair opening dynamics in the B-form ICL duplex by 1H NMR linewidth or imino proton solvent exchange showed that the guanine base opposite to the crosslinked cytosine opened at least an order of magnitude more slowly than when in a control matched normal duplex. To a lesser degree, the B-form ICL also induced a decrease in base pair opening dynamics that extended from the site of the crosslink to adjacent base pairs. In contrast, the non-B-form ICL showed extensive conformational dynamics at the site of the cross link, which extended over the entire DNA sequence. Since DNA duplexes containing the B-form and non-B-form ICL crosslinks have both been shown to be incised when incubated in mammalian whole cell extracts, while a matched normal duplex is not, we conclude that intrinsic DNA dynamics is not a requirement for specific damage incision of these ICLs. Instead, we propose a general model where
NASA Astrophysics Data System (ADS)
Ayral, Thomas; Lee, Tsung-Han; Kotliar, Gabriel
2017-12-01
We present a unified perspective on dynamical mean-field theory (DMFT), density-matrix embedding theory (DMET), and rotationally invariant slave bosons (RISB). We show that DMET can be regarded as a simplification of the RISB method where the quasiparticle weight is set to unity. This relation makes it easy to transpose extensions of a given method to another: For instance, a temperature-dependent version of RISB can be used to derive a temperature-dependent free-energy formula for DMET.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shuaibu, Alhassan; Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M., 2109. Kaduna Nigeria; Rahman, Md. Mahmudur
In this work, we have evaluated the quasiparticle energies of ternary tetradymite Bi{sub 2}Te{sub 2}Se and Bi{sub 2}Te{sub 2}S using first-principles calculation within the G{sub 0}W{sub 0} methods. We have also performed a broad convergence tests in order to investigate the quasiparticle corrections to the structural parameters and to the semi core d electrons in both of the compounds. For each case, we have calculated the many-body corrections within a one-shot GW method of the compounds. Our results have shown that for Bi{sub 2}Te{sub 2}Se the GW corrections increase the band gap to almost 10%, and for specific atomic positions,more » the band structure shows a close value to the experimental one. For Bi{sub 2}Te{sub 2}S, despite increase in the band gap due to the GW corrections, possibility of bulk resistivity that can be significant for photovoltaic applications was observed.« less
Battiste, Richard L.
2007-12-25
Methods and apparatus are described for characterizing the temporal-spatial properties of a dynamic fluid front within a mold space while the mold space is being filled with fluid. A method includes providing a mold defining a mold space and having one or more openings into the mold space; heating a plurality of temperature sensors that extend into the mold space; injecting a fluid into the mold space through the openings, the fluid experiencing a dynamic fluid front while filling the mold space with the fluid; and characterizing temporal-spatial properties of the dynamic fluid front by monitoring a temperature of each of the plurality of heated temperature sensors while the mold space is being filled with the fluid. An apparatus includes a mold defining a mold space; one or more openings for introducing a fluid into the mold space and filling the mold space with the fluid, the fluid experiencing a dynamic fluid front while filling the mold space; a plurality of heated temperature sensors extending into the mold space; and a computer coupled to the plurality of heated temperature sensors for characterizing the temporal-spatial properties of the dynamic fluid front.
Battiste, Richard L
2013-12-31
Methods and apparatus are described for characterizing the temporal-spatial properties of a dynamic fluid front within a mold space while the mold space is being filled with fluid. A method includes providing a mold defining a mold space and having one or more openings into the mold space; heating a plurality of temperature sensors that extend into the mold space; injecting a fluid into th emold space through the openings, the fluid experiencing a dynamic fluid front while filling the mold space with a fluid; and characterizing temporal-spatial properties of the dynamic fluid front by monitoring a termperature of each of the plurality of heated temperature sensors while the mold space is being filled with the fluid. An apparatus includes a mold defining a mold space; one or more openings for introducing a fluid into th emold space and filling the mold space with the fluid, the fluid experiencing a dynamic fluid front while filling the mold space; a plurality of heated temperature sensors extending into the mold space; and a computer coupled to the plurality of heated temperature sensors for characterizing the temporal-spatial properties of the dynamic fluid front.
Quasiparticle mass enhancement approaching optimal doping in a high-T c superconductor
Ramshaw, B. J.; Sebastian, S. E.; McDonald, R. D.; ...
2015-03-26
In the quest for superconductors with higher transition temperatures (T c), one emerging motif is that electronic interactions favorable for superconductivity can be enhanced by fluctuations of a broken-symmetry phase. In recent experiments it is suggested that the existence of the requisite broken-symmetry phase in the high-T c cuprates, but the impact of such a phase on the ground-state electronic interactions has remained unclear. Here, we used magnetic fields exceeding 90 tesla to access the underlying metallic state of the cuprate YBa 2Cu 3O 6+δ over a wide range of doping, and observed magnetic quantum oscillations that reveal a strongmore » enhancement of the quasiparticle effective mass toward optimal doping. Finally, this mass enhancement results from increasing electronic interactions approaching optimal doping, and suggests a quantum critical point at a hole doping of p crit ≈ 0.18.« less
Quasiparticle mass enhancement approaching optimal doping in a high-T c superconductor
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ramshaw, B. J.; Sebastian, S. E.; McDonald, R. D.
In the quest for superconductors with higher transition temperatures (T c), one emerging motif is that electronic interactions favorable for superconductivity can be enhanced by fluctuations of a broken-symmetry phase. In recent experiments it is suggested that the existence of the requisite broken-symmetry phase in the high-T c cuprates, but the impact of such a phase on the ground-state electronic interactions has remained unclear. Here, we used magnetic fields exceeding 90 tesla to access the underlying metallic state of the cuprate YBa 2Cu 3O 6+δ over a wide range of doping, and observed magnetic quantum oscillations that reveal a strongmore » enhancement of the quasiparticle effective mass toward optimal doping. Finally, this mass enhancement results from increasing electronic interactions approaching optimal doping, and suggests a quantum critical point at a hole doping of p crit ≈ 0.18.« less
Dynamic compressive properties of bovine knee layered tissue
NASA Astrophysics Data System (ADS)
Nishida, Masahiro; Hino, Yuki; Todo, Mitsugu
2015-09-01
In Japan, the most common articular disease is knee osteoarthritis. Among many treatment methodologies, tissue engineering and regenerative medicine have recently received a lot of attention. In this field, cells and scaffolds are important, both ex vivo and in vivo. From the viewpoint of effective treatment, in addition to histological features, the compatibility of mechanical properties is also important. In this study, the dynamic and static compressive properties of bovine articular cartilage-cancellous bone layered tissue were measured using a universal testing machine and a split Hopkinson pressure bar method. The compressive behaviors of bovine articular cartilage-cancellous bone layered tissue were examined. The effects of strain rate on the maximum stress and the slope of stress-strain curves of the bovine articular cartilage-cancellous bone layered tissue were discussed.
Dynamically enriched topological orders in driven two-dimensional systems
NASA Astrophysics Data System (ADS)
Potter, Andrew C.; Morimoto, Takahiro
2017-04-01
Time-periodic driving of a quantum system can enable new dynamical topological phases of matter that could not exist in thermal equilibrium. We investigate two related classes of dynamical topological phenomena in 2D systems: Floquet symmetry-protected topological phases (FSPTs) and Floquet enriched topological orders (FETs). By constructing solvable lattice models for a complete set of 2D bosonic FSPT phases, we show that bosonic FSPTs can be understood as topological pumps which deposit loops of 1D SPT chains onto the boundary during each driving cycle, which protects a nontrivial edge state by dynamically tuning the edge to a self-dual point poised between the 1D SPT and trivial phases of the edge. By coupling these FSPT models to dynamical gauge fields, we construct solvable models of FET orders in which anyon excitations are dynamically transmuted into topologically distinct anyon types during each driving period. These bosonic FSPT and gauged FSPT models are classified by group cohomology methods. In addition, we also construct examples of "beyond cohomology" FET orders, which can be viewed as topological pumps of 1D topological chains formed of emergent anyonic quasiparticles.
Properties of a certain stochastic dynamical system, channel polarization, and polar codes
NASA Astrophysics Data System (ADS)
Tanaka, Toshiyuki
2010-06-01
A new family of codes, called polar codes, has recently been proposed by Arikan. Polar codes are of theoretical importance because they are provably capacity achieving with low-complexity encoding and decoding. We first discuss basic properties of a certain stochastic dynamical system, on the basis of which properties of channel polarization and polar codes are reviewed, with emphasis on our recent results.
NASA Technical Reports Server (NTRS)
Grauer, Jared A.; Morelli, Eugene A.
2013-01-01
The NASA Generic Transport Model (GTM) nonlinear simulation was used to investigate the effects of errors in sensor measurements, mass properties, and aircraft geometry on the accuracy of identified parameters in mathematical models describing the flight dynamics and determined from flight data. Measurements from a typical flight condition and system identification maneuver were systematically and progressively deteriorated by introducing noise, resolution errors, and bias errors. The data were then used to estimate nondimensional stability and control derivatives within a Monte Carlo simulation. Based on these results, recommendations are provided for maximum allowable errors in sensor measurements, mass properties, and aircraft geometry to achieve desired levels of dynamic modeling accuracy. Results using additional flight conditions and parameter estimation methods, as well as a nonlinear flight simulation of the General Dynamics F-16 aircraft, were compared with these recommendations
Yokota, Yasuyuki; Miyamoto, Hiroo; Imanishi, Akihito; Takeya, Jun; Inagaki, Kouji; Morikawa, Yoshitada; Fukui, Ken-Ichi
2018-05-09
Electric double-layer transistors based on ionic liquid/organic semiconductor interfaces have been extensively studied during the past decade because of their high carrier densities at low operation voltages. Microscopic structures and the dynamics of ionic liquids likely determine the device performance; however, knowledge of these is limited by a lack of appropriate experimental tools. In this study, we investigated ionic liquid/organic semiconductor interfaces using molecular dynamics to reveal the microscopic properties of ionic liquids. The organic semiconductors include pentacene, rubrene, fullerene, and 7,7,8,8-tetracyanoquinodimethane (TCNQ). While ionic liquids close to the substrate always form the specific layered structures, the surface properties of organic semiconductors drastically alter the ionic dynamics. Ionic liquids at the fullerene interface behave as a two-dimensional ionic crystal because of the energy gain derived from the favorable electrostatic interaction on the corrugated periodic substrate.
Evolution of Quasiparticle Excitations in a Doped Hubbard Model
NASA Astrophysics Data System (ADS)
Hess, D. W.; Deisz, J. J.; Serene, J. W.
1997-03-01
Self-consistent calculations in the fluctuation exchange approximation for the 2D Hubbard model at half-filling show the evolution of anomalous structure in the self-energy at low energy with decreasing temperature. This structure is inconsistent with a Fermi liquid interpretation of evolving quasiparticle excitations.(J.J. Deisz, D.W. Hess, J.W. Serene, Phys. Rev. Lett. 76), 1312 (1996). Here we present calculations for a doped 2D Hubbard model with U=4t, n = 0.87 and for temperatures down to ~ 0.01t. Unlike the self-energy of the half-filled case, the slope of Re Σ(k_F, \\varepsilon) remains negative and | Im Σ(k_F, \\varepsilon)| shows no anomalous structure and is roughly parabolic at low energy with a very small magnitude at \\varepsilon = 0. In contrast to the `shadows' of antiferromagnetic order observed for half-filling, structure observed in the single-particle spectral function for momenta not on the Fermi surface are consistent with the characteristic depression at \\varepsilon =0 expected for an evolving Fermi liquid.(See e.g.) P.G. Mc Queen, D.W. Hess, J.W. Serene, Phys. Rev. Lett. 71, 129 (1993). No anomalous structure associated with incipient antiferromagnetic order is evident in the momentum distribution function.
Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal.
Inoue, Hiroyuki; Gyenis, András; Wang, Zhijun; Li, Jian; Oh, Seong Woo; Jiang, Shan; Ni, Ni; Bernevig, B Andrei; Yazdani, Ali
2016-03-11
Weyl semimetals host topologically protected surface states, with arced Fermi surface contours that are predicted to propagate through the bulk when their momentum matches that of the surface projections of the bulk's Weyl nodes. We used spectroscopic mapping with a scanning tunneling microscope to visualize quasiparticle scattering and interference at the surface of the Weyl semimetal TaAs. Our measurements reveal 10 different scattering wave vectors, which can be understood and precisely reproduced with a theory that takes into account the shape, spin texture, and momentum-dependent propagation of the Fermi arc surface states into the bulk. Our findings provide evidence that Weyl nodes act as sinks for electron transport on the surface of these materials. Copyright © 2016, American Association for the Advancement of Science.
Lattice dynamical and dielectric properties of L-amino acids
NASA Astrophysics Data System (ADS)
Tulip, P. R.; Clark, S. J.
2006-08-01
We present the results of ab initio calculations of the lattice dynamical and dielectric properties of the L-amino acids L-alanine, L-leucine, and L-isoleucine. Normal-mode frequencies and dielectric permittivity tensors are obtained using density-functional perturbation theory implemented within the plane-wave pseudopotential approximation. IR spectra are calculated and are used to analyze the effects of intermolecular interactions and zwitterionization upon the lattice dynamics. It is found that vibronic modes associated with the carboxy and amino functional groups undergo modification from their free-molecule values due to the presence of hydrogen bonds. The role of macroscopic electric fields set up by zone-center normal modes in the lattice dynamics is investigated by analysis of the Born effective charge. Calculated permittivity tensors are found to be greater than would be obtained by a naive use of the isolated molecular values, indicating the role of intermolecular interactions in increasing molecular polarizability.
Key properties of expert movement systems in sport : an ecological dynamics perspective.
Seifert, Ludovic; Button, Chris; Davids, Keith
2013-03-01
This paper identifies key properties of expertise in sport predicated on the performer-environment relationship. Weaknesses of traditional approaches to expert performance, which uniquely focus on the performer and the environment separately, are highlighted by an ecological dynamics perspective. Key properties of expert movement systems include 'multi- and meta-stability', 'adaptive variability', 'redundancy', 'degeneracy' and the 'attunement to affordances'. Empirical research on these expert system properties indicates that skill acquisition does not emerge from the internal representation of declarative and procedural knowledge, or the imitation of expert behaviours to linearly reduce a perceived 'gap' separating movements of beginners and a putative expert model. Rather, expert performance corresponds with the ongoing co-adaptation of an individual's behaviours to dynamically changing, interacting constraints, individually perceived and encountered. The functional role of adaptive movement variability is essential to expert performance in many different sports (involving individuals and teams; ball games and outdoor activities; land and aquatic environments). These key properties signify that, in sport performance, although basic movement patterns need to be acquired by developing athletes, there exists no ideal movement template towards which all learners should aspire, since relatively unique functional movement solutions emerge from the interaction of key constraints.
Nonequilibrium parton dynamics in the strongly interacting QGP
NASA Astrophysics Data System (ADS)
Cassing, W.; Bratkovskaya, E. L.
2011-12-01
The dynamics of partons, hadrons and strings in relativistic nucleus-nucleus collisions is analyzed within the novel Parton-Hadron-String Dynamics (PHSD) transport approach, which is based on a dynamical quasiparticle model for partons (DQPM) matched to reproduce recent lattice-QCD results—including the partonic equation of state—in thermodynamic equilibrium. The transition from partonic to hadronic degrees of freedom is described by covariant transition rates for the fusion of quark-antiquark pairs or three quarks (antiquarks), respectively, obeying flavor current-conservation, color neutrality as well as energymomentum conservation. Since the dynamical quarks and antiquarks become very massive close to the phase transition, the formed resonant `pre-hadronic' color-dipole states ( q bar q or qqq) are of high invariant mass, too, and sequentially decay to the groundstate meson and baryon octets increasing the total entropy. When applying the PHSD approach to Pb + Pb colllisions at 158 A GeV we find a significant effect of the partonic phase on the production of multi-strange antibaryons due to a slightly enhanced s bar q pair production from massive time-like gluon decay and a larger formation of antibaryons in the hadronization process.
Dynamical photo-induced electronic properties of molecular junctions
NASA Astrophysics Data System (ADS)
Beltako, K.; Michelini, F.; Cavassilas, N.; Raymond, L.
2018-03-01
Nanoscale molecular-electronic devices and machines are emerging as promising functional elements, naturally flexible and efficient, for next-generation technologies. A deeper understanding of carrier dynamics in molecular junctions is expected to benefit many fields of nanoelectronics and power devices. We determine time-resolved charge current flowing at the donor-acceptor interface in molecular junctions connected to metallic electrodes by means of quantum transport simulations. The current is induced by the interaction of the donor with a Gaussian-shape femtosecond laser pulse. Effects of the molecular internal coupling, metal-molecule tunneling, and light-donor coupling on photocurrent are discussed. We then define the time-resolved local density of states which is proposed as an efficient tool to describe the absorbing molecule in contact with metallic electrodes. Non-equilibrium reorganization of hybridized molecular orbitals through the light-donor interaction gives rise to two phenomena: the dynamical Rabi shift and the appearance of Floquet-like states. Such insights into the dynamical photoelectronic structure of molecules are of strong interest for ultrafast spectroscopy and open avenues toward the possibility of analyzing and controlling the internal properties of quantum nanodevices with pump-push photocurrent spectroscopy.
Ayral, Thomas; Lee, Tsung-Han; Kotliar, Gabriel
2017-12-26
In this paper, we present a unified perspective on dynamical mean-field theory (DMFT), density-matrix embedding theory (DMET), and rotationally invariant slave bosons (RISB). We show that DMET can be regarded as a simplification of the RISB method where the quasiparticle weight is set to unity. Finally, this relation makes it easy to transpose extensions of a given method to another: For instance, a temperature-dependent version of RISB can be used to derive a temperature-dependent free-energy formula for DMET.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ayral, Thomas; Lee, Tsung-Han; Kotliar, Gabriel
In this paper, we present a unified perspective on dynamical mean-field theory (DMFT), density-matrix embedding theory (DMET), and rotationally invariant slave bosons (RISB). We show that DMET can be regarded as a simplification of the RISB method where the quasiparticle weight is set to unity. Finally, this relation makes it easy to transpose extensions of a given method to another: For instance, a temperature-dependent version of RISB can be used to derive a temperature-dependent free-energy formula for DMET.
How reproducible are methods to measure the dynamic viscoelastic properties of poroelastic media?
NASA Astrophysics Data System (ADS)
Bonfiglio, Paolo; Pompoli, Francesco; Horoshenkov, Kirill V.; Rahim, Mahmud Iskandar B. Seth A.; Jaouen, Luc; Rodenas, Julia; Bécot, François-Xavier; Gourdon, Emmanuel; Jaeger, Dirk; Kursch, Volker; Tarello, Maurizio; Roozen, Nicolaas Bernardus; Glorieux, Christ; Ferrian, Fabrizio; Leroy, Pierre; Vangosa, Francesco Briatico; Dauchez, Nicolas; Foucart, Félix; Lei, Lei; Carillo, Kevin; Doutres, Olivier; Sgard, Franck; Panneton, Raymond; Verdiere, Kévin; Bertolini, Claudio; Bär, Rolf; Groby, Jean-Philippe; Geslain, Alan; Poulain, Nicolas; Rouleau, Lucie; Guinault, Alain; Ahmadi, Hamid; Forge, Charlie
2018-08-01
There is a considerable number of research publications on the acoustical properties of porous media with an elastic frame. A simple search through the Web of Science™ (last accessed 21 March 2018) suggests that there are at least 819 publications which deal with the acoustics of poroelastic media. A majority of these researches require accurate knowledge of the elastic properties over a broad frequency range. However, the accuracy of the measurement of the dynamic elastic properties of poroelastic media has been a contentious issue. The novelty of this paper is that it studies the reproducibility of some popular experimental methods which are used routinely to measure the key elastic properties such as the dynamic Young's modulus, loss factor and Poisson ratio of poroelastic media. In this paper, fourteen independent sets of laboratory measurements were performed on specimens of the same porous materials. The results from these measurements suggest that the reproducibility of this type of experimental method is poor. This work can be helpful to suggest improvements which can be developed to harmonize the way the elastic properties of poroelastic media are measured worldwide.
An ab-initio study of mechanical, dynamical and electronic properties of MgEu intermetallic
NASA Astrophysics Data System (ADS)
Kumar, S. Ramesh; Jaiganesh, G.; Jayalakshmi, V.
2018-04-01
The theoretical investigation on the mechanical, dynamical and electronic properties of MgEu in CsCl-type structure has been carried out through the ab-initio calculations within the framework of the density functional theory and the density functional perturbation theory. For the purpose, Vienna Ab initio Simulation Package and Phonopy packages were used. Our calculated ground-state properties of MgEu are in good agreement with other available results. Our computed elastic constants and phonon spectrum results suggest that MgEu is mechanically and dynamically stable up to 5 GPa. The thermodynamic quantities as a function of temperatures are also reported and discussed. The band structure, density of states and charge density also calculated to understand the electronic properties of MgEu.
Estimating the biophysical properties of neurons with intracellular calcium dynamics.
Ye, Jingxin; Rozdeba, Paul J; Morone, Uriel I; Daou, Arij; Abarbanel, Henry D I
2014-06-01
We investigate the dynamics of a conductance-based neuron model coupled to a model of intracellular calcium uptake and release by the endoplasmic reticulum. The intracellular calcium dynamics occur on a time scale that is orders of magnitude slower than voltage spiking behavior. Coupling these mechanisms sets the stage for the appearance of chaotic dynamics, which we observe within certain ranges of model parameter values. We then explore the question of whether one can, using observed voltage data alone, estimate the states and parameters of the voltage plus calcium (V+Ca) dynamics model. We find the answer is negative. Indeed, we show that voltage plus another observed quantity must be known to allow the estimation to be accurate. We show that observing both the voltage time course V(t) and the intracellular Ca time course will permit accurate estimation, and from the estimated model state, accurate prediction after observations are completed. This sets the stage for how one will be able to use a more detailed model of V+Ca dynamics in neuron activity in the analysis of experimental data on individual neurons as well as functional networks in which the nodes (neurons) have these biophysical properties.
Estimating the biophysical properties of neurons with intracellular calcium dynamics
NASA Astrophysics Data System (ADS)
Ye, Jingxin; Rozdeba, Paul J.; Morone, Uriel I.; Daou, Arij; Abarbanel, Henry D. I.
2014-06-01
We investigate the dynamics of a conductance-based neuron model coupled to a model of intracellular calcium uptake and release by the endoplasmic reticulum. The intracellular calcium dynamics occur on a time scale that is orders of magnitude slower than voltage spiking behavior. Coupling these mechanisms sets the stage for the appearance of chaotic dynamics, which we observe within certain ranges of model parameter values. We then explore the question of whether one can, using observed voltage data alone, estimate the states and parameters of the voltage plus calcium (V+Ca) dynamics model. We find the answer is negative. Indeed, we show that voltage plus another observed quantity must be known to allow the estimation to be accurate. We show that observing both the voltage time course V (t) and the intracellular Ca time course will permit accurate estimation, and from the estimated model state, accurate prediction after observations are completed. This sets the stage for how one will be able to use a more detailed model of V+Ca dynamics in neuron activity in the analysis of experimental data on individual neurons as well as functional networks in which the nodes (neurons) have these biophysical properties.
A computational approach for inferring the cell wall properties that govern guard cell dynamics.
Woolfenden, Hugh C; Bourdais, Gildas; Kopischke, Michaela; Miedes, Eva; Molina, Antonio; Robatzek, Silke; Morris, Richard J
2017-10-01
Guard cells dynamically adjust their shape in order to regulate photosynthetic gas exchange, respiration rates and defend against pathogen entry. Cell shape changes are determined by the interplay of cell wall material properties and turgor pressure. To investigate this relationship between turgor pressure, cell wall properties and cell shape, we focused on kidney-shaped stomata and developed a biomechanical model of a guard cell pair. Treating the cell wall as a composite of the pectin-rich cell wall matrix embedded with cellulose microfibrils, we show that strong, circumferentially oriented fibres are critical for opening. We find that the opening dynamics are dictated by the mechanical stress response of the cell wall matrix, and as the turgor rises, the pectinaceous matrix stiffens. We validate these predictions with stomatal opening experiments in selected Arabidopsis cell wall mutants. Thus, using a computational framework that combines a 3D biomechanical model with parameter optimization, we demonstrate how to exploit subtle shape changes to infer cell wall material properties. Our findings reveal that proper stomatal dynamics are built on two key properties of the cell wall, namely anisotropy in the form of hoop reinforcement and strain stiffening. © 2017 The Authors The Plant Journal © 2017 John Wiley & Sons Ltd and Society for Experimental Biology.
Dissociation of heavy quarkonium in hot QCD medium in a quasiparticle model
NASA Astrophysics Data System (ADS)
Agotiya, Vineet Kumar; Chandra, Vinod; Jamal, M. Yousuf; Nilima, Indrani
2016-11-01
Following a recent work on the effective description of the equations of state for hot QCD obtained from a hard thermal loop expression for the gluon self-energy, in terms of the quasigluons and quasiquarks and antiquarks with respective effective fugacities, the dissociation process of heavy quarkonium in hot QCD medium has been investigated. This has been done by investigating the medium modification to a heavy quark potential. The medium-modified potential has a quite different form (a long-range Coulomb tail in addition to the usual Yukawa term) in contrast to the usual picture of Debye screening. The flavor dependence binding energies of the heavy quarkonia states and the dissociation temperature have been obtained by employing the Debye mass for pure gluonic and full QCD case computed employing the quasiparticle picture. Thus, estimated dissociation patterns of the charmonium and bottomonium states, considering Debye mass from different approaches in the pure gluonic case and full QCD, have shown good agreement with the other potential model studies.
Quantum criticality and black holes.
Sachdev, Subir; Müller, Markus
2009-04-22
Many condensed matter experiments explore the finite temperature dynamics of systems near quantum critical points. Often, there are no well-defined quasiparticle excitations, and so quantum kinetic equations do not describe the transport properties completely. The theory shows that the transport coefficients are not proportional to a mean free scattering time (as is the case in the Boltzmann theory of quasiparticles), but are completely determined by the absolute temperature and by equilibrium thermodynamic observables. Recently, explicit solutions of this quantum critical dynamics have become possible via the anti-de Sitter/conformal field theory duality discovered in string theory. This shows that the quantum critical theory provides a holographic description of the quantum theory of black holes in a negatively curved anti-de Sitter space, and relates its transport coefficients to properties of the Hawking radiation from the black hole. We review how insights from this connection have led to new results for experimental systems: (i) the vicinity of the superfluid-insulator transition in the presence of an applied magnetic field, and its possible application to measurements of the Nernst effect in the cuprates, (ii) the magnetohydrodynamics of the plasma of Dirac electrons in graphene and the prediction of a hydrodynamic cyclotron resonance.
DOE Office of Scientific and Technical Information (OSTI.GOV)
El-Batanouny, Maged
2015-08-03
We propose to investigate the surface structural, dynamics and magnetic properties of the novel class of topological insulator crystals, as well as crystals that exhibit multiferroicity, magnetoelectricity and thermoelectricity. Topological insulators (TIs) are a new class of insulators in which a bulk gap for electronic excitations is generated because of the strong spin-orbit coupling inherent to these systems. These materials are distinguished from ordinary insulators by the presence of gapless metallic surface states, resembling chiral edge modes in quantum Hall systems, but with unconventional spin textures. These exotic metallic states are formed by topological conditions that also render the electrons travelling on such surfaces insensitive to scattering by impurities. The electronic quasi-particles populating the topological surface state are Dirac fermions; they have a linear dispersion and thus are massless just like photons. We propose to investigate the interaction of these massless Dirac fermions with the massive lattice in the newly discovered crystals, Bi2Se3, Bi2Te3 and Sb2Te3. We shall use inelastic helium beam scattering from surfaces to search for related signatures in surface phonon dispersions mappings that cover the entire surface Brillouin zone of these materials. Our recent investigations of the (001) surface of the multiferroic crystals (Li/Na)Cu2O2 revealed an anomalous surface structural behavior where surface Cumore » $$^{2+}$$ row rise above the surface plane as the crystal was cooled. Subsequent worming revealed the onset of a thermally activated incommensurate surface phase, driven by the elevated rows. We are currently investigating the structure of the magnetic phases in these quasi-one-dimensional magnetic rows. Multiferroics are excellent candidates for large magnetoelectric response. We propose to extend this investigation to the class of delafossites which are also multiferroics and have been investigated as good candidates
Dynamics of heavy carriers in the ferromagnetic superconductor UGe2
NASA Astrophysics Data System (ADS)
Storchak, V. G.; Brewer, J. H.; Eshchenko, D. G.; Mengyan, P. W.; Parfenov, O. E.; Tokmachev, A. M.
2018-04-01
Superconductivity and ferromagnetism in a number of uranium-based materials come from the same f-electrons with a relatively large effective mass, suggesting the presence of a band of heavy quasiparticles, whose nature is still a mystery. Here, UGe2 dynamics in both ferromagnetic and paramagnetic phases is studied employing high-field μ +SR spectroscopy. The spectra exhibit a doublet structure characteristic to formation of subnanometer-sized magnetic polarons. This model is thoroughly explored here and correlated with the unconventional physics of UGe2. The heavy-fermion behaviour is ascribed to magnetic polarons; when coherent they form a narrow band, thus reconciling heavy carriers with superconductivity and itinerant ferromagnetism.
Effects of {10-12} Twins on Dynamic Torsional Properties of Extruded AZ31 Magnesium Alloy
NASA Astrophysics Data System (ADS)
Lee, Jong Un; Song, Seok Weon; Kim, Yongjin; Kim, Sang-Hoon; Kim, Ye Jin; Park, Sung Hyuk
2018-03-01
Effects of initial twins on dynamic torsional properties of extruded AZ31 alloy were investigated by introducing {10-12} twins into it through precompression to 3 and 6% strains along the extrusion direction and performing torsional testing at a strain rate of 1.4 × 103 s-1 using a torsional Kolsky bar system. The as-extruded sample without twins showed higher dynamic torsional properties than the precompressed samples with many initial twins; the maximum shear strength and fracture shear strain decreased with increasing amount of initial twins. In the as-extruded sample, twinning occurred vigorously throughout the gage section of the tubular specimen during high-strain-rate torsional tests, resulting in heavily deformed morphology, many macrocracks, and rough fractured surfaces. The increased amount of initial twins suppressed the twinning behavior and localized the applied torsional deformation; this resulted in an almost unchanged sample shape, no secondary cracks, and a flat fracture plane, thereby deteriorating the dynamic torsional properties of the extruded alloy.
NASA Astrophysics Data System (ADS)
Zellner, Michael; McNeil, Wendy; Gray, George, III; Huerta, David; King, Nicholas; Neal, George; Payton, Jeremy; Rubin, Jim; Stevens, Gerald; Turley, William; Buttler, William
2008-03-01
This effort investigates surface-preparation methods to enhance dynamic surface-property measurements of shocked metal surfaces. To assess the ability of making reliable and consistent dynamic surface-property measurements, the amount of material ejected from the free-surface upon shock release to vacuum (ejecta) was monitored for shocked Al-1100 and Sn targets. Four surface preparation methods were considered: fly-cut machined finish, diamond-turned machine finish, polished finish, and ball-rolled. The samples were shock loaded by in-contact detonation of HE PBX-9501 on the front-side of the metal coupons. Ejecta production at the back-side or free-side of the metal coupons was monitored using piezoelectric pins, optical shadowgraphy, and x-ray attenuation radiography.
NASA Astrophysics Data System (ADS)
Zellner, M. B.; Vogan McNeil, W.; Gray, G. T.; Huerta, D. C.; King, N. S. P.; Neal, G. E.; Valentine, S. J.; Payton, J. R.; Rubin, J.; Stevens, G. D.; Turley, W. D.; Buttler, W. T.
2008-04-01
This effort investigates surface-preparation methods to enhance dynamic surface-property measurements of shocked metal surfaces. To assess the ability of making reliable and consistent dynamic surface-property measurements, the amount of material ejected from the free surface upon shock release to vacuum (ejecta) was monitored for shocked Al-1100 and Sn targets. Four surface-preparation methods were considered: Fly-cut machine finish, diamond-turned machine finish, polished finish, and ball rolled. The samples were shock loaded by in-contact detonation of HE PBX-9501 on the front side of the metal coupons. Ejecta production at the back side or free side of the metal coupons was monitored using piezoelectric pins, optical shadowgraphy, and x-ray attenuation radiography.
Thermalization dynamics of two correlated bosonic quantum wires after a split
NASA Astrophysics Data System (ADS)
Huber, Sebastian; Buchhold, Michael; Schmiedmayer, Jörg; Diehl, Sebastian
2018-04-01
Cherently splitting a one-dimensional Bose gas provides an attractive, experimentally established platform to investigate many-body quantum dynamics. At short enough times, the dynamics is dominated by the dephasing of single quasiparticles, and well described by the relaxation towards a generalized Gibbs ensemble corresponding to the free Luttinger theory. At later times on the other hand, the approach to a thermal Gibbs ensemble is expected for a generic, interacting quantum system. Here, we go one step beyond the quadratic Luttinger theory and include the leading phonon-phonon interactions. By applying kinetic theory and nonequilibrium Dyson-Schwinger equations, we analyze the full relaxation dynamics beyond dephasing and determine the asymptotic thermalization process in the two-wire system for a symmetric splitting protocol. The major observables are the different phonon occupation functions and the experimentally accessible coherence factor, as well as the phase correlations between the two wires. We demonstrate that, depending on the splitting protocol, the presence of phonon collisions can have significant influence on the asymptotic evolution of these observables, which makes the corresponding thermalization dynamics experimentally accessible.
Anomalous Quasiparticle Reflection from the Surface of a ^{3}He-^{4}He Dilute Solution.
Ikegami, Hiroki; Kim, Kitak; Sato, Daisuke; Kono, Kimitoshi; Choi, Hyoungsoon; Monarkha, Yuriy P
2017-11-10
A free surface of a dilute ^{3}He-^{4}He liquid mixture is a unique system where two Fermi liquids with distinct dimensions coexist: a three-dimensional (3D) ^{3}He Fermi liquid in the bulk and a two-dimensional (2D) ^{3}He Fermi liquid at the surface. To investigate a novel effect generated by the interaction between the two Fermi liquids, the mobility of a Wigner crystal of electrons formed on the free surface of the mixture is studied. An anomalous enhancement of the mobility, compared with the case where the 3D and 2D systems do not interact with each other, is observed. The enhancement is explained by the nontrivial reflection of 3D quasiparticles from the surface covered with the 2D ^{3}He system.
Investigating the Materials Limits on Coherence in Superconducting Charge Qubits
2014-12-04
Brecht, R. W. Heeres, L. Frunzio, M. H. Devoret, G. Catelani, L. I. Glazman, R. J. Schoelkopf. Measurement and control of quasiparticle dynamics in a... quasiparticles injection on the ac response of a superconductor, Physical Review B, (10 2010): 0. doi: 10.1103/PhysRevB.82.134502 M H Devoret, R J Schoelkopf...Frunzio, R. J. Schoelkopf, M. H. Devoret, L. I. Glazman. Quasiparticle Relaxation of Superconducting Qubits in the Presence of Flux, Physical
Can, Hatice Kaplan; Kavlak, Serap; ParviziKhosroshahi, Shahed; Güner, Ali
2018-03-01
Dextran-coated iron oxide nanoparticles (DIONPs) with appropriate surface chemistry exhibit many interesting properties that can be exploited in a variety of biomedical applications such as magnetic resonance imaging (MRI) contrast enhancement, tissue repair, hyperthermia, drug delivery and in cell separation. This paper reports the experimental detail for preparation, characterization and investigation of thermal and dynamical mechanical characteristics of the dextran-coated Fe 3 O 4 magnetic nanoparticles. In our work, DIONPs were prepared in a 1:2 ratio of Fe(II) and Fe(III) salt in the HCl solution with NaOH at given temperature. The obtained dextran-coated iron-oxide nanoparticles structure-property correlation was characterized by spectroscopic methods; attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and XRD. Coating dextran on the iron-oxide proof of important peaks can be seen from the ATR-FTIR. Dramatic crystallinity increment can be observed from the XRD pattern of the iron-oxide dextran nanoparticles. The thermal analysis was examined by differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA) and differential thermal analysis (DTA). Dynamical mechanical properties of dextran nanoparticles were analysed by dynamic mechanical analysis (DMA). Thermal stability of the iron oxide dextran nanoparticles is higher than that of the dextran.
(DARPA) Topologically Protected Quantum Information Processing In Spin-Orbit Compled Semiconductors
2013-12-17
expression for the disorder suppression of the superconducting quasiparticle gap in the topological superconducting states carrying MFs. Our principle...assisted electron transfer amplitude (derived from the fractionalization property of the MFs) the quasiparticle tunneling from to through the...mesoscopic rings, the energy-level of such a quasiparticle excitation spectrum in the ring is expected to develop a periodic dependence on
TRITIUM EFFECTS ON DYNAMIC MECHANICAL PROPERTIES OF POLYMERIC MATERIALS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Clark, E
2008-11-12
Dynamic mechanical analysis has been used to characterize the effects of tritium gas (initially 1 atm. pressure, ambient temperature) exposure over times up to 2.3 years on several thermoplastics-ultrahigh molecular weight polyethylene (UHMW-PE), polytetrafluoroethylene (PTFE), and Vespel{reg_sign} polyimide, and on several formulations of elastomers based on ethylene propylene diene monomer (EPDM). Tritium exposure stiffened the elastic modulus of UHMW-PE up to about 1 year and then softened it, and reduced the viscous response monotonically with time. PTFE initially stiffened, however the samples became too weak to handle after nine months exposure. The dynamic properties of Vespel{reg_sign} were not affected. Themore » glass transition temperature of the EPDM formulations increased approximately 4 C. following three months tritium exposure.« less
NASA Astrophysics Data System (ADS)
van Roekeghem, Ambroise; Richard, Pierre; Shi, Xun; Wu, Shangfei; Zeng, Lingkun; Saparov, Bayrammurad; Ohtsubo, Yoshiyuki; Qian, Tian; Sefat, Athena S.; Biermann, Silke; Ding, Hong
2016-06-01
We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.
Nickel-aluminum alloy clusters -- structural and dynamical properties
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jellinek, J.; Krissinel, E.B.
1997-08-01
Structural and dynamical properties of mixed Ni{sub n}Al{sub m} alloy clusters mimicked by a many-body potential are studied computationally for all the possible compositions n and m such that n + m = 13. It is shown that the manifold of the usually very large number of the different possible structural forms can be systematized by introducing classes of structures corresponding to the same concentration of the components, geometry and type of the central atom. General definitions of mixing energy and mixing coefficient are introduced, and it is shown that the energy ordering of the structural forms within each classmore » is governed by the mixing coefficient. The peculiarities of the solid-to-liquid-like transition are described as a function of the concentration of the two types of atoms. These peculiarities are correlated with and explained in terms of the energy spectra of the structural forms. Class-dependent features of the dynamics are described and analyzed.« less
Nonintegrable semidiscrete Hirota equation: gauge-equivalent structures and dynamical properties.
Ma, Li-Yuan; Zhu, Zuo-Nong
2014-09-01
In this paper, we investigate nonintegrable semidiscrete Hirota equations, including the nonintegrable semidiscrete Hirota(-) equation and the nonintegrable semidiscrete Hirota(+) equation. We focus on the topics on gauge-equivalent structures and dynamical behaviors for the two nonintegrable semidiscrete equations. By using the concept of the prescribed discrete curvature, we show that, under the discrete gauge transformations, the nonintegrable semidiscrete Hirota(-) equation and the nonintegrable semidiscrete Hirota(+) equation are, respectively, gauge equivalent to the nonintegrable generalized semidiscrete modified Heisenberg ferromagnet equation and the nonintegrable generalized semidiscrete Heisenberg ferromagnet equation. We prove that the two discrete gauge transformations are reversible. We study the dynamical properties for the two nonintegrable semidiscrete Hirota equations. The exact spatial period solutions of the two nonintegrable semidiscrete Hirota equations are obtained through the constructions of period orbits of the stationary discrete Hirota equations. We discuss the topic regarding whether the spatial period property of the solution to the nonintegrable semidiscrete Hirota equation is preserved to that of the corresponding gauge-equivalent nonintegrable semidiscrete equations under the action of discrete gauge transformation. By using the gauge equivalent, we obtain the exact solutions to the nonintegrable generalized semidiscrete modified Heisenberg ferromagnet equation and the nonintegrable generalized semidiscrete Heisenberg ferromagnet equation. We also give the numerical simulations for the stationary discrete Hirota equations. We find that their dynamics are much richer than the ones of stationary discrete nonlinear Schrödinger equations.
Thermal properties and dynamic mechanical properties of ceramic fillers filled epoxy composites
NASA Astrophysics Data System (ADS)
Saidina, D. S.; Mariatti, M.; Juliewatty, J.
2015-07-01
This present study is aimed to enhance the thermal and dynamic mechanical properties of ceramic fillers such as Calcium Copper Titanate, CaCu3Ti4O12 (CCTO) and Barium Titanate (BaTiO3) filled epoxy thin film composites. As can be seen from the results, 20 vol% BaTiO3/epoxy thin film composite showed the lowest coefficient of thermal expansion (CTE) value, the highest decomposition temperature (T5 and Tonset) and weight of residue among the composites as the filler has low CTE value, distributed homogeneously throughout the composite and less voids can be seen between epoxy resin and BaTiO3 filler.
Ramshaw, B J; Sebastian, S E; McDonald, R D; Day, James; Tan, B S; Zhu, Z; Betts, J B; Liang, Ruixing; Bonn, D A; Hardy, W N; Harrison, N
2015-04-17
In the quest for superconductors with higher transition temperatures (T(c)), one emerging motif is that electronic interactions favorable for superconductivity can be enhanced by fluctuations of a broken-symmetry phase. Recent experiments have suggested the existence of the requisite broken-symmetry phase in the high-T(c) cuprates, but the impact of such a phase on the ground-state electronic interactions has remained unclear. We used magnetic fields exceeding 90 tesla to access the underlying metallic state of the cuprate YBa2Cu3O(6+δ) over a wide range of doping, and observed magnetic quantum oscillations that reveal a strong enhancement of the quasiparticle effective mass toward optimal doping. This mass enhancement results from increasing electronic interactions approaching optimal doping, and suggests a quantum critical point at a hole doping of p(crit) ≈ 0.18. Copyright © 2015, American Association for the Advancement of Science.
Reservoir Computing Properties of Neural Dynamics in Prefrontal Cortex
Procyk, Emmanuel; Dominey, Peter Ford
2016-01-01
Primates display a remarkable ability to adapt to novel situations. Determining what is most pertinent in these situations is not always possible based only on the current sensory inputs, and often also depends on recent inputs and behavioral outputs that contribute to internal states. Thus, one can ask how cortical dynamics generate representations of these complex situations. It has been observed that mixed selectivity in cortical neurons contributes to represent diverse situations defined by a combination of the current stimuli, and that mixed selectivity is readily obtained in randomly connected recurrent networks. In this context, these reservoir networks reproduce the highly recurrent nature of local cortical connectivity. Recombining present and past inputs, random recurrent networks from the reservoir computing framework generate mixed selectivity which provides pre-coded representations of an essentially universal set of contexts. These representations can then be selectively amplified through learning to solve the task at hand. We thus explored their representational power and dynamical properties after training a reservoir to perform a complex cognitive task initially developed for monkeys. The reservoir model inherently displayed a dynamic form of mixed selectivity, key to the representation of the behavioral context over time. The pre-coded representation of context was amplified by training a feedback neuron to explicitly represent this context, thereby reproducing the effect of learning and allowing the model to perform more robustly. This second version of the model demonstrates how a hybrid dynamical regime combining spatio-temporal processing of reservoirs, and input driven attracting dynamics generated by the feedback neuron, can be used to solve a complex cognitive task. We compared reservoir activity to neural activity of dorsal anterior cingulate cortex of monkeys which revealed similar network dynamics. We argue that reservoir computing is a
Luo, Zhongkui; Feng, Wenting; Luo, Yiqi; Baldock, Jeff; Wang, Enli
2017-10-01
Soil organic carbon (SOC) dynamics are regulated by the complex interplay of climatic, edaphic and biotic conditions. However, the interrelation of SOC and these drivers and their potential connection networks are rarely assessed quantitatively. Using observations of SOC dynamics with detailed soil properties from 90 field trials at 28 sites under different agroecosystems across the Australian cropping regions, we investigated the direct and indirect effects of climate, soil properties, carbon (C) inputs and soil C pools (a total of 17 variables) on SOC change rate (r C , Mg C ha -1 yr -1 ). Among these variables, we found that the most influential variables on r C were the average C input amount and annual precipitation, and the total SOC stock at the beginning of the trials. Overall, C inputs (including C input amount and pasture frequency in the crop rotation system) accounted for 27% of the relative influence on r C , followed by climate 25% (including precipitation and temperature), soil C pools 24% (including pool size and composition) and soil properties (such as cation exchange capacity, clay content, bulk density) 24%. Path analysis identified a network of intercorrelations of climate, soil properties, C inputs and soil C pools in determining r C . The direct correlation of r C with climate was significantly weakened if removing the effects of soil properties and C pools, and vice versa. These results reveal the relative importance of climate, soil properties, C inputs and C pools and their complex interconnections in regulating SOC dynamics. Ignorance of the impact of changes in soil properties, C pool composition and C input (quantity and quality) on SOC dynamics is likely one of the main sources of uncertainty in SOC predictions from the process-based SOC models. © 2017 John Wiley & Sons Ltd.
Covalent dye attachment influences the dynamics and conformational properties of flexible peptides
Crevenna, Alvaro H.; Bomblies, Rainer; Lamb, Don C.
2017-01-01
Fluorescence spectroscopy techniques like Förster resonance energy transfer (FRET) and fluorescence correlation spectroscopy (FCS) have become important tools for the in vitro and in vivo investigation of conformational dynamics in biomolecules. These methods rely on the distance-dependent quenching of the fluorescence signal of a donor fluorophore either by a fluorescent acceptor fluorophore (FRET) or a non-fluorescent quencher, as used in FCS with photoinduced electron transfer (PET). The attachment of fluorophores to the molecule of interest can potentially alter the molecular properties and may affect the relevant conformational states and dynamics especially of flexible biomolecules like intrinsically disordered proteins (IDP). Using the intrinsically disordered S-peptide as a model system, we investigate the impact of terminal fluorescence labeling on the molecular properties. We perform extensive molecular dynamics simulations on the labeled and unlabeled peptide and compare the results with in vitro PET-FCS measurements. Experimental and simulated timescales of end-to-end fluctuations were found in excellent agreement. Comparison between simulations with and without labels reveal that the π-stacking interaction between the fluorophore labels traps the conformation of S-peptide in a single dominant state, while the unlabeled peptide undergoes continuous conformational rearrangements. Furthermore, we find that the open to closed transition rate of S-peptide is decreased by at least one order of magnitude by the fluorophore attachment. Our approach combining experimental and in silico methods provides a benchmark for the simulations and reveals the significant effect that fluorescence labeling can have on the conformational dynamics of small biomolecules, at least for inherently flexible short peptides. The presented protocol is not only useful for comparing PET-FCS experiments with simulation results but provides a strategy to minimize the influence on
The need for speed: informed land acquisitions for conservation in a dynamic property market.
McDonald-Madden, Eve; Bode, Michael; Game, Edward T; Grantham, Hedley; Possingham, Hugh P
2008-11-01
Land acquisition is a common approach to biodiversity conservation but is typically subject to property availability on the public market. Consequently, conservation plans are often unable to be implemented as intended. When properties come on the market, conservation agencies must make a choice: purchase immediately, often without a detailed knowledge of its biodiversity value; survey the parcel and accept the risk that it may be removed from the market during this process; or not purchase and hope a better parcel comes on the market at a later date. We describe both an optimal method, using stochastic dynamic programming, and a simple rule of thumb for making such decisions. The solutions to this problem illustrate how optimal conservation is necessarily dynamic and requires explicit consideration of both the time period allowed for implementation and the availability of properties.
Non-integrable dynamics of matter-wave solitons in a density-dependent gauge theory
NASA Astrophysics Data System (ADS)
Dingwall, R. J.; Edmonds, M. J.; Helm, J. L.; Malomed, B. A.; Öhberg, P.
2018-04-01
We study interactions between bright matter-wave solitons which acquire chiral transport dynamics due to an optically-induced density-dependent gauge potential. Through numerical simulations, we find that the collision dynamics feature several non-integrable phenomena, from inelastic collisions including population transfer and radiation losses to the formation of short-lived bound states and soliton fission. An effective quasi-particle model for the interaction between the solitons is derived by means of a variational approximation, which demonstrates that the inelastic nature of the collision arises from a coupling of the gauge field to velocities of the solitons. In addition, we derive a set of interaction potentials which show that the influence of the gauge field appears as a short-range potential, that can give rise to both attractive and repulsive interactions.
NASA Technical Reports Server (NTRS)
Grauer, Jared A.; Morelli, Eugene A.
2013-01-01
A nonlinear simulation of the NASA Generic Transport Model was used to investigate the effects of errors in sensor measurements, mass properties, and aircraft geometry on the accuracy of dynamic models identified from flight data. Measurements from a typical system identification maneuver were systematically and progressively deteriorated and then used to estimate stability and control derivatives within a Monte Carlo analysis. Based on the results, recommendations were provided for maximum allowable errors in sensor measurements, mass properties, and aircraft geometry to achieve desired levels of dynamic modeling accuracy. Results using other flight conditions, parameter estimation methods, and a full-scale F-16 nonlinear aircraft simulation were compared with these recommendations.
NASA Astrophysics Data System (ADS)
Androulaki, Eleni; Vergadou, Niki; Ramos, Javier; Economou, Ioannis G.
2012-06-01
Molecular dynamics (MD) simulations have been performed in order to investigate the properties of [C n mim+][Tf2N-] (n = 4, 8, 12) ionic liquids (ILs) in a wide temperature range (298.15-498.15 K) and at atmospheric pressure (1 bar). A previously developed methodology for the calculation of the charge distribution that incorporates ab initio quantum mechanical calculations based on density functional theory (DFT) was used to calculate the partial charges for the classical molecular simulations. The wide range of time scales that characterize the segmental dynamics of these ILs, especially at low temperatures, required very long MD simulations, on the order of several tens of nanoseconds, to calculate the thermodynamic (density, thermal expansion, isothermal compressibility), structural (radial distribution functions between the centers of mass of ions and between individual sites, radial-angular distribution functions) and dynamic (relaxation times of the reorientation of the bonds and the torsion angles, self-diffusion coefficients, shear viscosity) properties. The influence of the temperature and the cation's alkyl chain length on the above-mentioned properties was thoroughly investigated. The calculated thermodynamic (primary and derivative) and structural properties are in good agreement with the experimental data, while the extremely sluggish dynamics of the ILs under study renders the calculation of their transport properties a very complicated and challenging task, especially at low temperatures.
Quasiparticles and charge transfer at the two surfaces of the honeycomb iridate Na2IrO3
NASA Astrophysics Data System (ADS)
Moreschini, L.; Lo Vecchio, I.; Breznay, N. P.; Moser, S.; Ulstrup, S.; Koch, R.; Wirjo, J.; Jozwiak, C.; Kim, K. S.; Rotenberg, E.; Bostwick, A.; Analytis, J. G.; Lanzara, A.
2017-10-01
Direct experimental investigations of the low-energy electronic structure of the Na2IrO3 iridate insulator are sparse and draw two conflicting pictures. One relies on flat bands and a clear gap, the other involves dispersive states approaching the Fermi level, pointing to surface metallicity. Here, by a combination of angle-resolved photoemission, photoemission electron microscopy, and x-ray absorption, we show that the correct picture is more complex and involves an anomalous band, arising from charge transfer from Na atoms to Ir-derived states. Bulk quasiparticles do exist, but in one of the two possible surface terminations the charge transfer is smaller and they remain elusive.
NASA Astrophysics Data System (ADS)
Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost
2015-08-01
Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance.
A geometric viewpoint on generalized hydrodynamics
NASA Astrophysics Data System (ADS)
Doyon, Benjamin; Spohn, Herbert; Yoshimura, Takato
2018-01-01
Generalized hydrodynamics (GHD) is a large-scale theory for the dynamics of many-body integrable systems. It consists of an infinite set of conservation laws for quasi-particles traveling with effective ("dressed") velocities that depend on the local state. We show that these equations can be recast into a geometric dynamical problem. They are conservation equations with state-independent quasi-particle velocities, in a space equipped with a family of metrics, parametrized by the quasi-particles' type and speed, that depend on the local state. In the classical hard rod or soliton gas picture, these metrics measure the free length of space as perceived by quasi-particles; in the quantum picture, they weigh space with the density of states available to them. Using this geometric construction, we find a general solution to the initial value problem of GHD, in terms of a set of integral equations where time appears explicitly. These integral equations are solvable by iteration and provide an extremely efficient solution algorithm for GHD.
Cai, Peng; Ruan, Wei; Zhou, Xiaodong; Ye, Cun; Wang, Aifeng; Chen, Xianhui; Lee, Dung-Hai; Wang, Yayu
2014-03-28
We use scanning tunneling microscopy to investigate the doping dependence of quasiparticle interference (QPI) in NaFe1-xCoxAs iron-based superconductors. The goal is to study the relation between nematic fluctuations and Cooper pairing. In the parent and underdoped compounds, where fourfold rotational symmetry is broken macroscopically, the QPI patterns reveal strong rotational anisotropy. At optimal doping, however, the QPI patterns are always fourfold symmetric. We argue this implies small nematic susceptibility and, hence, insignificant nematic fluctuation in optimally doped iron pnictides. Since TC is the highest this suggests nematic fluctuation is not a prerequistite for strong Cooper pairing.
Moosavi, Majid; Khashei, Fatemeh; Sedghamiz, Elaheh
2017-12-20
In this work, the structural and dynamical properties of two imidazolium-based geminal dicationic ionic liquids (GDILs), i.e. [C n (mim) 2 ][NTf 2 ] 2 with n = 3 and 5, have been studied to obtain a fundamental understanding of the molecular basis of the macroscopic and microscopic properties of the bulk liquid phase. To achieve this purpose, molecular dynamics (MD) simulation, density functional theory (DFT) and atoms in molecule (AIM) methods were used. Interaction energies, charge transfers and hydrogen bonds between the cation and anions of each studied GDIL were investigated by DFT calculations and also AIM. The mean square displacement (MSD), self-diffusion coefficient, and transference number of the cation and anions, and also the density, viscosity and electrical conductivity of the studied GDILs, were computed at 333.15 K and at 1 atm. The simulated values were in good agreement with the experimental data. The effect of linkage alkyl chain length on the thermodynamic, transport and structural properties of these GDILs has been investigated. The structural features of these GDILs were characterized by calculating the partial site-site radial distribution functions (RDFs) and spatial distribution functions (SDFs). The heterogeneity order parameter (HOP) has been used to describe the spatial structures of these GDILs and the distribution of the angles formed between two cation heads and the middle carbon atom of the linkage alkyl chain was analyzed in these ILs. To investigate the temporal heterogeneity of the studied GDILs, the deviation of the self-part of the van Hove correlation function, G s (r[combining right harpoon above],t), from the Gaussian distribution of particle displacement and also the second-order non-Gaussian parameter, α 2 (t), were used. Since, the transport and interfacial properties and ionic characteristics of these GDILs were studied experimentally in our previous studies as a function of linkage chain length and temperature, in this
Phonon thermal properties of graphene on h-BN from molecular dynamics simulations
NASA Astrophysics Data System (ADS)
Zou, Ji-Hang; Cao, Bing-Yang
2017-03-01
Phonon thermal properties of graphene on hexagonal boron nitride are investigated by the molecular dynamics simulations combined with lattice dynamics theory. It is found that the dispersion curves have minor changes for supported graphene because the interlayer coupling is too weak to shift the harmonic phonon properties. The ZA and ZO phonon lifetimes are significantly reduced in supported graphene due to the breakdown of the symmetry-based selection rule. The dominant mean free path (MFP) of graphene is reduced from 90-800 nm to 60-500 nm at 300 K. The mode thermal conductivities of free and supported graphene are 3517 W/ (m.K) and 2200 W/ (m.K) at 300 K, respectively. The thermal conductivity of supported graphene decreases by about 37.4% due to the large reduction of flexural phonon lifetimes, and the relative contribution of flexural modes decreases from 35.0% to 16.7%.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ji, Pengfei; Zhang, Yuwen, E-mail: zhangyu@missouri.edu; Yang, Mo
The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heatmore » transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.« less
NASA Astrophysics Data System (ADS)
Ji, Pengfei; Zhang, Yuwen; Yang, Mo
2013-12-01
The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.
Dynamical Properties of a Living Nematic
NASA Astrophysics Data System (ADS)
Genkin, Mikhail
The systems, which are made of a large number or interacting particles, or agents that convert the energy stored in the environment into mechanical motion, are called active systems, or active matter. The examples of active matter include both living and synthetic systems. The size of agents varies significantly: bird flocks and fish schools represent macroscopic active systems, while suspensions of living organisms or artificial colloidal particles are examples of microscopic ones. In this work, I studied one of the simplest realization of active matter termed living (or active) nematics, that can be conceived by mixing swimming bacteria and nematic liquid crystal. Using modeling, numerical simulations and experiments I studied various dynamical properties of active nematics. This work hints into new methods of control and manipulation of active matter. Active nematic exhibits complex spatiotemporal behavior manifested by formation, proliferation, and annihilation of topological defects. A new computational 2D model coupling nematic liquid crystal and swimming bacteria dynamics have been proposed. We investigated the developed system of partial differential equations analytically and integrated it numerically using the highly efficient parallel GPU code. The integration results are in a very good agreement with other theoretical and experimental studies. In addition, our model revealed a number of testable phenomena. The major model prediction (bacteria accumulation in positive and depletion in negative topological defects) was tested by a dedicated experiment. We extended our model to study active nematics in a biphasic state, where nematic and isotropic phases coexist. Typically this coexistence is manifested by formation of tactoids - isotropic elongated regions surrounded by nematic phase, or nematic regions surrounded by isotropic phase. Using numerical integration, we revealed fundamental properties of such systems. Our main model outcome - spontaneous
Siqueira, Leonardo J A; Ribeiro, Mauro C C
2006-12-07
The dynamical properties of the polymer electrolyte poly(ethylene oxide) (PEO)LiClO(4) have been investigated by molecular dynamics simulations. The effect of changing salt concentration and temperature was evaluated on several time correlation functions. Ionic displacements projected on different directions reveal anisotropy in short-time (rattling) and long-time (diffusive) dynamics of Li(+) cations. It is shown that ionic mobility is coupled to the segmental motion of the polymeric chain. Structural relaxation is probed by the intermediate scattering function F(k,t) at several wave vectors. Good agreement was found between calculated and experimental F(k,t) for pure PEO. A remarkable slowing down of polymer relaxation is observed upon addition of the salt. The ionic conductivity estimated by the Nernst-Einstein equation is approximately ten times higher than the actual conductivity calculated by the time correlation function of charge current.
NASA Astrophysics Data System (ADS)
Karzig, Torsten; Knapp, Christina; Lutchyn, Roman M.; Bonderson, Parsa; Hastings, Matthew B.; Nayak, Chetan; Alicea, Jason; Flensberg, Karsten; Plugge, Stephan; Oreg, Yuval; Marcus, Charles M.; Freedman, Michael H.
2017-06-01
We present designs for scalable quantum computers composed of qubits encoded in aggregates of four or more Majorana zero modes, realized at the ends of topological superconducting wire segments that are assembled into superconducting islands with significant charging energy. Quantum information can be manipulated according to a measurement-only protocol, which is facilitated by tunable couplings between Majorana zero modes and nearby semiconductor quantum dots. Our proposed architecture designs have the following principal virtues: (1) the magnetic field can be aligned in the direction of all of the topological superconducting wires since they are all parallel; (2) topological T junctions are not used, obviating possible difficulties in their fabrication and utilization; (3) quasiparticle poisoning is abated by the charging energy; (4) Clifford operations are executed by a relatively standard measurement: detection of corrections to quantum dot energy, charge, or differential capacitance induced by quantum fluctuations; (5) it is compatible with strategies for producing good approximate magic states.
Dynamical properties of maps fitted to data in the noise-free limit
Lindström, Torsten
2013-01-01
We argue that any attempt to classify dynamical properties from nonlinear finite time-series data requires a mechanistic model fitting the data better than piecewise linear models according to standard model selection criteria. Such a procedure seems necessary but still not sufficient. PMID:23768079
Possible superconductivity in Sr2IrO4 probed by quasiparticle interference
Gao, Yi; Zhou, Tao; Huang, Huaixiang; Wang, Qiang-Hua
2015-01-01
Based on the possible superconducting (SC) pairing symmetries recently proposed, the quasiparticle interference (QPI) patterns in electron- and hole-doped Sr2IrO4 are theoretically investigated. In the electron-doped case, the QPI spectra can be explained based on a model similar to the octet model of the cuprates while in the hole-doped case, both the Fermi surface topology and the sign of the SC order parameter resemble those of the iron pnictides and there exists a QPI vector resulting from the interpocket scattering between the electron and hole pockets. In both cases, the evolution of the QPI vectors with energy and their behaviors in the nonmagnetic and magnetic impurity scattering cases can well be explained based on the evolution of the constant-energy contours and the sign structure of the SC order parameter. The QPI spectra presented in this paper can be compared with future scanning tunneling microscopy experiments to test whether there are SC phases in electron- and hole-doped Sr2IrO4 and what the pairing symmetry is. PMID:25783417
Many-body interferometry of magnetic polaron dynamics
NASA Astrophysics Data System (ADS)
Ashida, Yuto; Schmidt, Richard; Tarruell, Leticia; Demler, Eugene
2018-02-01
The physics of quantum impurities coupled to a many-body environment is among the most important paradigms of condensed-matter physics. In particular, the formation of polarons, quasiparticles dressed by the polarization cloud, is key to the understanding of transport, optical response, and induced interactions in a variety of materials. Despite recent remarkable developments in ultracold atoms and solid-state materials, the direct measurement of their ultimate building block, the polaron cloud, has remained a fundamental challenge. We propose and analyze a platform to probe time-resolved dynamics of polaron-cloud formation with an interferometric protocol. We consider an impurity atom immersed in a two-component Bose-Einstein condensate where the impurity generates spin-wave excitations that can be directly measured by the Ramsey interference of surrounding atoms. The dressing by spin waves leads to the formation of magnetic polarons and reveals a unique interplay between few- and many-body physics that is signified by single- and multi-frequency oscillatory dynamics corresponding to the formation of many-body bound states. Finally, we discuss concrete experimental implementations in ultracold atoms.
Assessing Electrolyte Transport Properties with Molecular Dynamics
Jones, R. E.; Ward, D. K.; Gittleson, F. S.; ...
2017-04-15
Here in this work we use estimates of ionic transport properties obtained from molecular dynamics to rank lithium electrolytes of different compositions. We develop linear response methods to obtain the Onsager diffusivity matrix for all chemical species, its Fickian counterpart, and the mobilities of the ionic species. We apply these methods to the well-studied propylene carbonate/ethylene carbonate solvent with dissolved LiBF 4 and O 2. The results show that, over a range of lithium concentrations and carbonate mixtures, trends in the transport coefficients can be identified and optimal electrolytes can be selected for experimental focus; however, refinement of these estimationmore » techniques is necessary for a reliable ranking of a large set of electrolytes.« less
Temporal dynamics of connectivity and epidemic properties of growing networks
NASA Astrophysics Data System (ADS)
Fotouhi, Babak; Shirkoohi, Mehrdad Khani
2016-01-01
Traditional mathematical models of epidemic disease had for decades conventionally considered static structure for contacts. Recently, an upsurge of theoretical inquiry has strived towards rendering the models more realistic by incorporating the temporal aspects of networks of contacts, societal and online, that are of interest in the study of epidemics (and other similar diffusion processes). However, temporal dynamics have predominantly focused on link fluctuations and nodal activities, and less attention has been paid to the growth of the underlying network. Many real networks grow: Online networks are evidently in constant growth, and societal networks can grow due to migration flux and reproduction. The effect of network growth on the epidemic properties of networks is hitherto unknown, mainly due to the predominant focus of the network growth literature on the so-called steady state. This paper takes a step towards alleviating this gap. We analytically study the degree dynamics of a given arbitrary network that is subject to growth. We use the theoretical findings to predict the epidemic properties of the network as a function of time. We observe that the introduction of new individuals into the network can enhance or diminish its resilience against endemic outbreaks and investigate how this regime shift depends upon the connectivity of newcomers and on how they establish connections to existing nodes. Throughout, theoretical findings are corroborated with Monte Carlo simulations over synthetic and real networks. The results shed light on the effects of network growth on the future epidemic properties of networks and offers insights for devising a priori immunization strategies.
Dynamic Mechanical Properties of Bio-Polymer Graphite Thin Films
NASA Astrophysics Data System (ADS)
Saddam Kamarudin, M.; Rus, Anika Zafiah M.; Munirah Abdullah, Nur; Abdullah, M. F. L.
2017-08-01
Waste cooking oil is used as the main substances in producing graphite biopolymer thin films. Biopolymer is produce from the reaction of bio-monomer and cross linker with the ratio of 2:1 and addition of graphite with an increment of 2% through a slip casting method. The morphological surface properties of the samples are observed by using Scanning Electron Microscope (SEM). It is shown that the graphite particle is well mixed and homogenously dispersed in biopolymer matrix. Meanwhile, the mechanical response of materials by monitoring the change in the material properties in terms of frequency and temperature of the samples were determined using Dynamic Mechanical Analysis (DMA). The calculated cross-linked density of biopolymer composites revealed the increment of graphite particle loading at 8% gives highest results with 260.012 x 103 M/m3.
Properties of quasiparticles in Luttinger liquid
NASA Astrophysics Data System (ADS)
Koutouza, Andrei Boris
In this dissertation we first explain why the Fermi liquid theory breaks down in one dimension and introduce the concept of Luttinger Liquid and the idea of bozonization. In the second part, we study the tunneling through an impurity in a quantum wire with arbitrary Luttinger interaction parameter. By combining the integrable approach, developed in the case of quantum Hall edge states, with the introduction of radiative boundary conditions to describe the adiabatic coupling to the reservoirs, we are able to obtain the exact equilibrium and non-equilibrium current. One of the most striking features observed is the appearance of negative differential conductances out of equilibrium in the strongly interacting regime g < 0.2. In spite of the various charging effects, a remarkable form of duality is still observed. In the third part, the tunneling between edge states in the Fractional Quantum Hall Effect is studied and the shot noise is computed to determine the charge of the carriers in the system. We show that the inclusion of irrelevant terms in the Hamiltonian, describing tunneling between edge states in the fractional quantum Hall effect affect crucially the determination of charge through shot noise measurements. We show, for instance, that certain combinations of relevant and irrelevant terms can lead to an effective measured charge e in the strong backscattering limit and an effective measured charge e in the weak backscattering limit, in sharp contrast with standard perturbative expectations. This provides a possible scenario to explain the experimental observations by Heiblum et al. [35], which are so far not understood. And finally, the scattering amplitudes at a point contact between a Fermi liquid and a Luttinger liquid will be considered, and calculated in the certain cases, using the form-factors technique. These include the reflection and transmission amplitudes at a point contact between a Fermi liquid and a g = 1/3 Luttinger liquid for the processes 2e → 2e, and e → e. These results are obtained in closed form, and give rise to rather simple expressions for the probabilities of the most basic processes of non-Fermi liquid physics at these special values of the couplings.
Ultrafast relaxation dynamics in BiFeO 3/YBa 2Cu 3O 7 bilayers
DOE Office of Scientific and Technical Information (OSTI.GOV)
Springer, D.; Nair, Saritha K.; He, Mi
The temperature dependence of the relaxation dynamics in the bilayer thin film heterostructure composed of multiferroic BiFeO 3 (BFO) and superconducting YBa 2Cu 3O 7 (YBCO) grown on (001) SrTiO 3 substrate is studied by time-resolved pump-probe technique, and compared with that of pure YBCO thin film grown under the same growth conditions. The superconductivity of YBCO is found to be retained in the heterostructure. We observe a speeding up of the YBCO recombination dynamics in the superconducting state of the heterostructure, and attribute it to the presence of weak ferromagnetism at the BFO/YBCOinterface as observed inmagnetization data. An extensionmore » of the Rothwarf-Taylor model is used to fit the ultrafast dynamics of BFO/YBCO, that models an increased quasiparticle occupation of the ferromagnetic interfacial layer in the superconducting state of YBCO.« less
Ultrafast relaxation dynamics in BiFeO 3/YBa 2Cu 3O 7 bilayers
Springer, D.; Nair, Saritha K.; He, Mi; ...
2016-02-12
The temperature dependence of the relaxation dynamics in the bilayer thin film heterostructure composed of multiferroic BiFeO 3 (BFO) and superconducting YBa 2Cu 3O 7 (YBCO) grown on (001) SrTiO 3 substrate is studied by time-resolved pump-probe technique, and compared with that of pure YBCO thin film grown under the same growth conditions. The superconductivity of YBCO is found to be retained in the heterostructure. We observe a speeding up of the YBCO recombination dynamics in the superconducting state of the heterostructure, and attribute it to the presence of weak ferromagnetism at the BFO/YBCOinterface as observed inmagnetization data. An extensionmore » of the Rothwarf-Taylor model is used to fit the ultrafast dynamics of BFO/YBCO, that models an increased quasiparticle occupation of the ferromagnetic interfacial layer in the superconducting state of YBCO.« less
NASA Technical Reports Server (NTRS)
Zhang, Shuxia; Yuen, David A.
1988-01-01
A common assumption in modeling dynamical processes in the lower mantle is that both the thermal expansivity and thermal conductivity are reasonably constant. Recent work from seismic equation of state leads to substantially higher values for the thermal conductivity and much lower thermal expansivity values in the deep mantle. The dynamical consequences of incorporating depth-dependent thermodynamic properties on the thermal-mechanical state of the lower mantle are examined with the spherical-shell mean-field equations. It is found that the thermal structure of the seismically resolved anomalous zone at the base of the mantle is strongly influenced by these variable properties and, in particular, that the convective distortion of the core-mantle boundary (CMB) is reduced with the decreasing thermal expansivity. Such a reduction of the dynamically induced topography from pure thermal convection would suggest that some other dynamical mechanism must be operating at the CMB.
Dynamics of coarsening in multicomponent lipid vesicles with non-uniform mechanical properties
NASA Astrophysics Data System (ADS)
Funkhouser, Chloe M.; Solis, Francisco J.; Thornton, K.
2014-04-01
Multicomponent lipid vesicles are commonly used as a model system for the complex plasma membrane. One phenomenon that is studied using such model systems is phase separation. Vesicles composed of simple lipid mixtures can phase-separate into liquid-ordered and liquid-disordered phases, and since these phases can have different mechanical properties, this separation can lead to changes in the shape of the vesicle. In this work, we investigate the dynamics of phase separation in multicomponent lipid vesicles, using a model that couples composition to mechanical properties such as bending rigidity and spontaneous curvature. The model allows the vesicle surface to deform while conserving surface area and composition. For vesicles initialized as spheres, we study the effects of phase fraction and spontaneous curvature. We additionally initialize two systems with elongated, spheroidal shapes. Dynamic behavior is contrasted in systems where only one phase has a spontaneous curvature similar to the overall vesicle surface curvature and systems where the spontaneous curvatures of both phases are similar to the overall curvature. The bending energy contribution is typically found to slow the dynamics by stabilizing configurations with multiple domains. Such multiple-domain configurations are found more often in vesicles with spheroidal shapes than in nearly spherical vesicles.
Assessment of dynamic properties and stiffness of composite bridges with pavement defects
NASA Astrophysics Data System (ADS)
Kartopol'tsev, Vladimir; Kartopol'tsev, Andrei; Kolmakov, Boris
2017-01-01
This paper is aimed at assessing the dynamic properties and stiffness of the reinforced concrete roadway slab under live loads that impact composite bridge girders considering pavement defects. A special attention is paid to the reinforced concrete roadway slab as a transfer member of forced oscillations. The test results obtained for bridges with different spans ranging from 24 to 110 m are presented to assess the behavior of the reinforced concrete roadway slab and the dynamic stiffness of bridge span allowed for the pavement defects. Dynamic tests are carried out under controlled and random loads that simulate live load interaction with the span and the pavement with defects. The differential equations are presented for vertical oscillations of spans, pavement defect parameter, Eigen frequency and others. As a result of the experimental research the equation is derived to ascertain the dynamic stiffness of the vehicle-span system.
Superconducting Properties of CeIr3 Single Crystal
NASA Astrophysics Data System (ADS)
Sato, Yoshiki J.; Nakamura, Ai; Shimizu, Yusei; Maurya, Arvind; Homma, Yoshiya; Li, Dexin; Honda, Fuminori; Aoki, Dai
2018-05-01
Superconducting properties of CeIr3 single crystal with rhombohedral structure were examined for the first time using DC magnetization, specific heat, and electrical resistivity measurements. A bulk type-II superconductivity was clearly detected at Tc = 3.4 K, which is the second highest Tc among Ce-based intermetallic compounds. The thermodynamic properties as well as an upper critical field Hc2(0) ˜ 46.5 kOe for the H || c-axis are fully consistent with the weak-coupling BCS regime. The observed √{H} variation of C(H)/T becomes less pronounced upon cooling, possibly suggesting a suppression of low-energy quasiparticle excitations in an anisotropic s-wave gap in CeIr3, as observed in CeRu2. The origin of superconductivity is discussed from the viewpoints of the valence of Ce atom and Ir 5d-electron with a strong spin-orbit coupling.
NASA Astrophysics Data System (ADS)
Evans, William J.; Yoo, Choong-Shik; Lee, Geun Woo; Cynn, Hyunchae; Lipp, Magnus J.; Visbeck, Ken
2007-07-01
We have developed a unique device, a dynamic diamond anvil cell (dDAC), which repetitively applies a time-dependent load/pressure profile to a sample. This capability allows studies of the kinetics of phase transitions and metastable phases at compression (strain) rates of up to 500GPa/s (˜0.16s-1 for a metal). Our approach adapts electromechanical piezoelectric actuators to a conventional diamond anvil cell design, which enables precise specification and control of a time-dependent applied load/pressure. Existing DAC instrumentation and experimental techniques are easily adapted to the dDAC to measure the properties of a sample under the varying load/pressure conditions. This capability addresses the sparsely studied regime of dynamic phenomena between static research (diamond anvil cells and large volume presses) and dynamic shock-driven experiments (gas guns, explosive, and laser shock). We present an overview of a variety of experimental measurements that can be made with this device.
Thermophysical properties of fluids: dynamic viscosity and thermal conductivity
NASA Astrophysics Data System (ADS)
Latini, G.
2017-11-01
Thermophysical properties of fluids strongly depend upon atomic and molecular structure, complex systems governed by physics laws providing the time evolution. Theoretically the knowledge of the initial position and velocity of each atom, of the interaction forces and of the boundary conditions, leads to the solution; actually this approach contains too many variables and it is generally impossible to obtain an acceptable solution. In many cases it is only possible to calculate or to measure some macroscopic properties of fluids (pressure, temperature, molar volume, heat capacities...). The ideal gas “law,” PV = nRT, was one of the first important correlations of properties and the deviations from this law for real gases were usefully proposed. Moreover the statistical mechanics leads for example to the “hard-sphere” model providing the link between the transport properties and the molecular size and speed of the molecules. Further approximations take into account the intermolecular interactions (the potential functions) which can be used to describe attractions and repulsions. In any case thermodynamics reduces experimental or theoretical efforts by relating one physical property to another: the Clausius-Clapeyron equation provides a classical example of this method and the PVT function must be known accurately. However, in spite of the useful developments in molecular theory and computers technology, often it is usual to search for physical properties when the existing theories are not reliable and experimental data are not available: the required value of the physical or thermophysical property must be estimated or predicted (very often estimation and prediction are improperly used as synonymous). In some cases empirical correlations are useful, if it is clearly defined the range of conditions on which they are based. This work is concerned with dynamic viscosity µ and thermal conductivity λ and is based on clear and important rules to be respected
Quantum rotor in nanostructured superconductors
Lin, Shi-Hsin; Milošević, M. V.; Covaci, L.; Jankó, B.; Peeters, F. M.
2014-01-01
Despite its apparent simplicity, the idealized model of a particle constrained to move on a circle has intriguing dynamic properties and immediate experimental relevance. While a rotor is rather easy to set up classically, the quantum regime is harder to realize and investigate. Here we demonstrate that the quantum dynamics of quasiparticles in certain classes of nanostructured superconductors can be mapped onto a quantum rotor. Furthermore, we provide a straightforward experimental procedure to convert this nanoscale superconducting rotor into a regular or inverted quantum pendulum with tunable gravitational field, inertia, and drive. We detail how these novel states can be detected via scanning tunneling spectroscopy. The proposed experiments will provide insights into quantum dynamics and quantum chaos. PMID:24686241
NASA Astrophysics Data System (ADS)
Satoh, Katsuhiko
2013-08-01
The thermodynamic scaling of molecular dynamic properties of rotation and thermodynamic parameters in a nematic phase was investigated by a molecular dynamic simulation using the Gay-Berne potential. A master curve for the relaxation time of flip-flop motion was obtained using thermodynamic scaling, and the dynamic property could be solely expressed as a function of TV^{γ _τ }, where T and V are the temperature and volume, respectively. The scaling parameter γτ was in excellent agreement with the thermodynamic parameter Γ, which is the logarithm of the slope of a line plotted for the temperature and volume at constant P2. This line was fairly linear, and as good as the line for p-azoxyanisole or using the highly ordered small cluster model. The equivalence relation between Γ and γτ was compared with results obtained from the highly ordered small cluster model. The possibility of adapting the molecular model for the thermodynamic scaling of other dynamic rotational properties was also explored. The rotational diffusion constant and rotational viscosity coefficients, which were calculated using established theoretical and experimental expressions, were rescaled onto master curves with the same scaling parameters. The simulation illustrates the universal nature of the equivalence relation for liquid crystals.
NASA Astrophysics Data System (ADS)
Cui, Rong Hua; Chao Dong, Zheng; Gui Zhong, Chong
2017-12-01
The effects of pressure on the structural, mechanical, dynamical and thermodynamic properties of AgMg have been investigated using first principles based on density functional theory. The optimized lattice constants agree well with previous experimental and theoretical results. The bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio and Debye temperature under pressures were calculated. The calculated results of Cauchy pressure and B/G ratio indicate that AgMg shows ductile nature. Phonon dispersion curves suggest the dynamical stability of AgMg. The pressure dependent behavior of thermodynamic properties are calculated, the Helmholtz free energy and internal energy increase with increase of pressure, while entropy and heat capacity decrease.
Merino, P; Große, C; Rosławska, A; Kuhnke, K; Kern, K
2015-09-29
Exciton creation and annihilation by charges are crucial processes for technologies relying on charge-exciton-photon conversion. Improvement of organic light sources or dye-sensitized solar cells requires methods to address exciton dynamics at the molecular scale. Near-field techniques have been instrumental for this purpose; however, characterizing exciton recombination with molecular resolution remained a challenge. Here, we study exciton dynamics by using scanning tunnelling microscopy to inject current with sub-molecular precision and Hanbury Brown-Twiss interferometry to measure photon correlations in the far-field electroluminescence. Controlled injection allows us to generate excitons in solid C60 and let them interact with charges during their lifetime. We demonstrate electrically driven single-photon emission from localized structural defects and determine exciton lifetimes in the picosecond range. Monitoring lifetime shortening and luminescence saturation for increasing carrier injection rates provides access to charge-exciton annihilation dynamics. Our approach introduces a unique way to study single quasi-particle dynamics on the ultimate molecular scale.
NASA Astrophysics Data System (ADS)
Adak, Nitai Chandra; Chhetri, Suman; Murmu, Naresh Chandra; Samanta, Pranab; Kuila, Tapas
2018-03-01
The Carbon fiber (CF)/epoxy composites are being used in the automotive and aerospace industries owing to their high specific mechanical strength to weight ratio compared to the other conventional metal and alloys. However, the low interfacial adhesion between fiber and polymer matrix results the inter-laminar fracture of the composites. Effects of different carbonaceous nanomaterials i.e., carbon nanotubes (CNT), graphene nanosheets (GNPs), graphene oxide (GO) etc. on the static mechanical properties of the composites were investigated in detail. Only a few works focused on the improvement of the dynamic mechanical of the CF/epoxy composites. Herein, the effect of thermally reduced grapheme oxide (TRGO) on the dynamic mechanical properties of the CF/epoxy composites was investigated. At first, GO was synthesized using modified Hummers method and then reduced the synthesized GO inside a vacuum oven at 800 °C for 5 min. The prepared TRGO was dispersed in the epoxy resin to modify the epoxy matrix. Then, a number of TRGO/CF/epoxy laminates were manufactured incorporating different wt% of TRGO by vacuum assisted resin transfer molding (VARTM) technique. The developed laminates were cured at room temperature for 24 h and then post cured at 120 °C for 2 h. The dynamic mechanical analyzer (DMA 8000 Perkin Elmer) was used to examine the dynamic mechanical properties of the TRGO/CF/epoxy composites according to ASTM D7028. The dimension of the specimen was 44×10×2.4 mm3 for the DMA test. This test was carried out under flexural loading mode (duel cantilever) at a frequency of 1 Hz and amplitude of 50 μm. The temperature was ramped from 30 to 200 °C with a heating rate of 5 °C min-1. The dynamic mechanical analysis of the 0.2 wt% TRGO incorporated CF/epoxy composites showed ~ 96% enhancement in storage modulus and ~ 12 °C increments in glass transition temperature (Tg) compared to the base CF/epoxy composites. The fiber-matrix interaction was studied by Cole
Criticality in conserved dynamical systems: experimental observation vs. exact properties.
Marković, Dimitrije; Gros, Claudius; Schuelein, André
2013-03-01
Conserved dynamical systems are generally considered to be critical. We study a class of critical routing models, equivalent to random maps, which can be solved rigorously in the thermodynamic limit. The information flow is conserved for these routing models and governed by cyclic attractors. We consider two classes of information flow, Markovian routing without memory and vertex routing involving a one-step routing memory. Investigating the respective cycle length distributions for complete graphs, we find log corrections to power-law scaling for the mean cycle length, as a function of the number of vertices, and a sub-polynomial growth for the overall number of cycles. When observing experimentally a real-world dynamical system one normally samples stochastically its phase space. The number and the length of the attractors are then weighted by the size of their respective basins of attraction. This situation is equivalent, for theory studies, to "on the fly" generation of the dynamical transition probabilities. For the case of vertex routing models, we find in this case power law scaling for the weighted average length of attractors, for both conserved routing models. These results show that the critical dynamical systems are generically not scale-invariant but may show power-law scaling when sampled stochastically. It is hence important to distinguish between intrinsic properties of a critical dynamical system and its behavior that one would observe when randomly probing its phase space.
Modeling and dynamic properties of dual-chamber solid and liquid mixture vibration isolator
NASA Astrophysics Data System (ADS)
Li, F. S.; Chen, Q.; Zhou, J. H.
2016-07-01
The dual-chamber solid and liquid mixture (SALiM) vibration isolator, mainly proposed for vibration isolation of heavy machines with low frequency, consists of four principle parts: SALiM working media including elastic elements and incompressible oil, multi-layers bellows container, rigid reservoir and the oil tube connecting the two vessels. The isolation system under study is governed by a two-degrees-of-freedom (2-DOF) nonlinear equation including quadratic damping. Simplifying the nonlinear damping into viscous damping, the equivalent stiffness and damping model is derived from the equation for the response amplitude. Theoretical analysis and numerical simulation reveal that the isolator's stiffness and damping have multiple properties with different parameters, among which the effects of exciting frequency, vibrating amplitude, quadratic damping coefficient and equivalent stiffness of the two chambers on the isolator's dynamics are discussed in depth. Based on the boundary characteristics of stiffness and damping and the main causes for stiffness hardening effect, improvement strategies are proposed to obtain better dynamic properties. At last, experiments were implemented and the test results were generally consistent with the theoretical ones, which verified the reliability of the nonlinear dynamic model.
Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations
NASA Astrophysics Data System (ADS)
Kumar, Amit; Hajjar, Eric; Ruggerone, Paolo; Ceccarelli, Matteo
2010-11-01
In this paper we investigate the structural and dynamical properties of the two major porins (OmpF and OmpC) in Escherichia coli, using molecular dynamics (MD) simulations. In particular we characterized the atomic fluctuations, correlated motions, temperature dependence, solvent-accessible cross-sectional area and water dynamics in the key regions of the two channels. Our in-depth analysis allows us to highlight the importance of both the key conserved and substituted residues between OmpF and OmpC. The latter is characterized by a narrower and longer constriction region with respect to OmpF. OmpC also showed a higher stability upon increasing temperature. We then present the results of transport properties by using accelerated MD simulations to probe the diffusion of norfloxacin (a fluoroquinolone antibiotic) through the two porins OmpF/OmpC. Our study constitutes a step forward towards understanding the structure-function relationship of the two porins' channels. This will benefit the research of antibacterials with improved permeation properties and nanopores that aim to use these porins as sensing systems.
Dynamic properties of III-V polytypes from density-functional theory
NASA Astrophysics Data System (ADS)
Benyahia, N.; Zaoui, A.; Madouri, D.; Ferhat, M.
2017-03-01
The recently discovered hexagonal wurtzite phase of several III-V nanowires opens up strong opportunity to engineer optoelectronic and transport properties of III-V materials. Herein, we explore the dynamical and dielectric properties of cubic (3C) and wurtzite (2H) III-V compounds (AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb). For cubic III-V compounds, our calculated phonon frequencies agree well with neutron diffraction and Raman-scattering measurements. In the case of 2H III-V materials, our calculated phonon modes at the zone-center Γ point are in distinguished agreement with available Raman-spectroscopy measurements of wurtzite GaAs, InP, GaP, and InAs nanowires. Particularly, the "fingerprint" of the wurtzite phase, which is our predicted E2(high) phonon mode, at 261 cm-1(GaAs), 308 cm-1(InP), 358 cm-1(GaP), and 214 cm-1(InAs) matches perfectly the respective Raman values of 258 cm-1, 306.4 cm-1, 353 cm-1, and 213.7 cm-1 for GaAs, InP, GaP, and InAs. Moreover, the dynamic charges and high-frequency dielectric constants are predicted for III-V materials in both cubic (3C) and hexagonal (2H) crystal polytypes. It is found that the dielectric properties of InAs and InSb contrast markedly from those of other 2H III-V compounds. Furthermore, InAs and InSb evidence relative strong anisotropy in their dielectric constants and Born effective charges, whereas GaP evinces the higher Born effective charge anisotropy of 2H III-V compounds.
Moroni, L; de Wijn, J R; van Blitterswijk, C A
2006-03-01
One of the main issues in tissue engineering is the fabrication of scaffolds that closely mimic the biomechanical properties of the tissues to be regenerated. Conventional fabrication techniques are not sufficiently suitable to control scaffold structure to modulate mechanical properties. Within novel scaffold fabrication processes 3D fiber deposition (3DF) showed great potential for tissue engineering applications because of the precision in making reproducible 3D scaffolds, characterized by 100% interconnected pores with different shapes and sizes. Evidently, these features also affect mechanical properties. Therefore, in this study we considered the influence of different structures on dynamic mechanical properties of 3DF scaffolds. Pores were varied in size and shape, by changing fibre diameter, spacing and orientation, and layer thickness. With increasing porosity, dynamic mechanical analysis (DMA) revealed a decrease in elastic properties such as dynamic stiffness and equilibrium modulus, and an increase of the viscous parameters like damping factor and creep unrecovered strain. Furthermore, the Poisson's ratio was measured, and the shear modulus computed from it. Scaffolds showed an adaptable degree of compressibility between sponges and incompressible materials. As comparison, bovine cartilage was tested and its properties fell in the fabricated scaffolds range. This investigation showed that viscoelastic properties of 3DF scaffolds could be modulated to accomplish mechanical requirements for tailored tissue engineered applications.
NASA Astrophysics Data System (ADS)
Jolie, Wouter; Lux, Jonathan; Pörtner, Mathias; Dombrowski, Daniela; Herbig, Charlotte; Knispel, Timo; Simon, Sabina; Michely, Thomas; Rosch, Achim; Busse, Carsten
2018-03-01
We study chemically gated bilayer graphene using scanning tunneling microscopy and spectroscopy complemented by tight-binding calculations. Gating is achieved by intercalating Cs between bilayer graphene and Ir(111), thereby shifting the conduction band minima below the chemical potential. Scattering between electronic states (both intraband and interband) is detected via quasiparticle interference. However, not all expected processes are visible in our experiment. We uncover two general effects causing this suppression: first, intercalation leads to an asymmetrical distribution of the states within the two layers, which significantly reduces the scanning tunneling spectroscopy signal of standing waves mainly present in the lower layer; second, forward scattering processes, connecting points on the constant energy contours with parallel velocities, do not produce pronounced standing waves due to destructive interference. We present a theory to describe the interference signal for a general n -band material.
Jolie, Wouter; Lux, Jonathan; Pörtner, Mathias; Dombrowski, Daniela; Herbig, Charlotte; Knispel, Timo; Simon, Sabina; Michely, Thomas; Rosch, Achim; Busse, Carsten
2018-03-09
We study chemically gated bilayer graphene using scanning tunneling microscopy and spectroscopy complemented by tight-binding calculations. Gating is achieved by intercalating Cs between bilayer graphene and Ir(111), thereby shifting the conduction band minima below the chemical potential. Scattering between electronic states (both intraband and interband) is detected via quasiparticle interference. However, not all expected processes are visible in our experiment. We uncover two general effects causing this suppression: first, intercalation leads to an asymmetrical distribution of the states within the two layers, which significantly reduces the scanning tunneling spectroscopy signal of standing waves mainly present in the lower layer; second, forward scattering processes, connecting points on the constant energy contours with parallel velocities, do not produce pronounced standing waves due to destructive interference. We present a theory to describe the interference signal for a general n-band material.
Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions
NASA Astrophysics Data System (ADS)
Sonoda, Milton T.; Elola, M. Dolores; Skaf, Munir S.
2016-10-01
The static dielectric permittivity and dielectric relaxation properties of fructose aqueous solutions of different concentrations ranging from 1.0 to 4.0 mol l-1 are investigated by means of molecular dynamics simulations. The contributions from intra- and interspecies molecular correlations were computed individually for both the static and frequency-dependent dielectric properties, and the results were compared with the available experimental data. Simulation results in the time- and frequency-domains were analyzed and indicate that the presence of fructose has little effect on the position of the fast, high-frequency (>500 cm-1) components of the dielectric response spectrum. The low-frequency (<0.1 cm-1) components, however, are markedly influenced by sugar concentration. Our analysis indicates that fructose-fructose and fructose-water interactions strongly affect the rotational-diffusion regime of molecular motions in the solutions. Increasing fructose concentration not only enhances sugar-sugar and sugar-water low frequency contributions to the dielectric loss spectrum but also slows down the reorientational dynamics of water molecules. These results are consistent with previous computer simulations carried out for other disaccharide aqueous solutions.
Torsional Shear Device for Testing the Dynamic Properties of Recycled Material
NASA Astrophysics Data System (ADS)
Gabryś, Katarzyna; Sas, Wojciech; Soból, Emil; Głuchowski, Andrzej
2016-12-01
From the viewpoint of environmental preservation and effective utilization of resources, it is beneficial and necessary to reuse wastes, for example, concrete, as the recycled aggregates for new materials. In this work, the dynamic behavior of such aggregates under low frequency torsional loading is studied. Results show that the properties of such artificial soils match with those reported in the literature for specific natural soils.
Hybridization in Kondo lattice heavy fermions via quasiparticle scattering spectroscopy (QPS)
NASA Astrophysics Data System (ADS)
Narasiwodeyar, Sanjay; Dwyer, Matt; Greene, Laura; Park, Wan Kyu; Bauer, Eric; Tobash, Paul; Baumbach, Ryan; Ronning, Filip; Sarrao, John; Thompson, Joe; Canfield, Paul
2014-03-01
Band renormalization in a Kondo lattice via hybridization of the conduction band with localized states has been a hot topic over the last several years. In part, this has to do with recently reignited interest in the hidden order problem in URu2Si2. Despite recent developments regarding the electronic structure in this compound, it remains to be resolved whether the hidden order phase transition is related to the opening of a hybridization gap. Our quasiparticle scattering spectroscopy (QPS) has shown they are not related directly. This can be understood naturally since in principle band renormalization does not involve symmetry breaking. To deepen our understanding, we extend to other Kondo lattice compounds. For instance, when applied to YbAl3, a vegetable heavy-fermion system, QPS reveals conductance signatures for hybridization in a Kondo lattice such as asymmetric Fano background along with characteristic energy scales. Presenting new results on these materials, we will discuss a broader picture. The work at UIUC is supported by the NSF DMR 12-06766, the work at LANL is carried out under the auspices of the U.S. DOE, Office of Science, and the work done at Ames Lab. was supported under Contract No. DE-AC02-07CH11358.
Discrimination of time-dependent inflow properties with a cooperative dynamical system.
Ueno, Hiroshi; Tsuruyama, Tatsuaki; Nowakowski, Bogdan; Górecki, Jerzy; Yoshikawa, Kenichi
2015-10-01
Many physical, chemical, and biological systems exhibit a cooperative or sigmoidal response with respect to the input. In biochemistry, such behavior is called an allosteric effect. Here, we demonstrate that a system with such properties can be used to discriminate the amplitude or frequency of an external periodic perturbation. Numerical simulations performed for a model sigmoidal kinetics illustrate that there exists a narrow range of frequencies and amplitudes within which the system evolves toward significantly different states. Therefore, observation of system evolution should provide information about the characteristics of the perturbation. The discrimination properties for periodic perturbation are generic. They can be observed in various dynamical systems and for different types of periodic perturbation.
Self-Localized Quasi-Particle Excitation in Quantum Electrodynamics and Its Physical Interpretation
NASA Astrophysics Data System (ADS)
Feranchuk, Ilya D.; Feranchuk, Sergey I.
2007-12-01
The self-localized quasi-particle excitation of the electron-positron field (EPF) is found for the first time in the framework of a standard form of the quantum electrodynamics. This state is interpreted as the ''physical'' electron (positron) and it allows one to solve the following problems: i) to express the ''primary'' charge e0 and the mass m0 of the ''bare'' electron in terms of the observed values of e and m of the ''physical'' electron without any infinite parameters and by essentially nonperturbative way; ii) to consider μ-meson as another self-localized EPF state and to estimate the ratio mμ/m; iii) to prove that the self-localized state is Lorentz-invariant and its energy spectrum corresponds to the relativistic free particle with the observed mass m; iv) to show that the expansion in a power of the observed charge e << 1 corresponds to the strong coupling e! xpansion in a power of the ''primary'' charge e-10 ~ e when the interaction between the ``physical'' electron and the transverse electromagnetic field is considered by means of the perturbation theory and all terms of this series are free from the ultraviolet divergence.
Dynamic Properties of Polyurea
NASA Astrophysics Data System (ADS)
Youssef, George H.
The aim of this thesis was to understand the dynamic behavior of polyurea at rates of loading that is outside the reach of plate impact and split-Hopkinson bar experiments. This was motivated by the desire to design polyurea-based armors against hypervelocity impacts such as those arising from shaped charges and explosively formed projectiles with speeds in the range of 9,000 to 30,000 ft/s. By employing the laser-induced stress waves, the tensile strength and fracture energy of polyurea were measured at peak strain rate of 10 7s-1. Tensile strength of 93.1 ±5 MPa and fracture energy values of 6.75 (± 0.5) J/m2 were measured. It was also shown that the Time Temperature Superposition Principle holds for polyurea even at strain rates as high as 105s-1. This strain rate is two orders of magnitude higher than those reported recently by the Caltech group (Zhao, et al.). This important finding suggests that blast simulations of large-scale structures and those of armors involving polyurea can be based on constitutive data gathered under quasi-static conditions. This is quite powerful. With a view towards future reach, preliminary experiments were performed to inquire how polyurca behaves in the presence of other armor materials when subjected to impacts in the nanoseconds timeframe. That is, does it synergistically add its intrinsic impact-mitigating properties to other known defeat mechanisms? To this end, sections in which I to 2 mm thick polyurea layers were sandwiched between glass, acrylic, polyurethane, Al, Steel, and PMMA plates were subjected to laser-generated stress waves. The sections were evaluated based on the amplitude and time profile of the stress wave that exited the sections. Both metal plates resulted in a significant reduction in the transmitted stress wave amplitude. This was due to the large impedance mismatch between the polyurea and the metal which essentially resulted in trapping of the stress wave within the incident substrate. An unexpected
NASA Astrophysics Data System (ADS)
Martini, M.; Péru, S.; Hilaire, S.; Goriely, S.; Lechaftois, F.
2016-07-01
Valuable theoretical predictions of nuclear dipole excitations in the whole chart are of great interest for different nuclear applications, including in particular nuclear astrophysics. Here we present large-scale calculations of the E 1 γ -ray strength function obtained in the framework of the axially symmetric deformed quasiparticle random-phase approximation based on the finite-range Gogny force. This approach is applied to even-even nuclei, the strength function for odd nuclei being derived by interpolation. The convergence with respect to the adopted number of harmonic oscillator shells and the cutoff energy introduced in the 2-quasiparticle (2 -q p ) excitation space is analyzed. The calculations performed with two different Gogny interactions, namely D1S and D1M, are compared. A systematic energy shift of the E 1 strength is found for D1M relative to D1S, leading to a lower energy centroid and a smaller energy-weighted sum rule for D1M. When comparing with experimental photoabsorption data, the Gogny-QRPA predictions are found to overestimate the giant dipole energy by typically ˜2 MeV. Despite the microscopic nature of our self-consistent Hartree-Fock-Bogoliubov plus QRPA calculation, some phenomenological corrections need to be included to take into account the effects beyond the standard 2 -q p QRPA excitations and the coupling between the single-particle and low-lying collective phonon degrees of freedom. For this purpose, three prescriptions of folding procedure are considered and adjusted to reproduce experimental photoabsorption data at best. All of them are shown to lead to somewhat similar predictions of the E 1 strength, both at low energies and for exotic neutron-rich nuclei. Predictions of γ -ray strength functions and Maxwellian-averaged neutron capture rates for the whole Sn isotopic chain are also discussed and compared with previous theoretical calculations.
De Mitri, N; Prampolini, G; Monti, S; Barone, V
2014-08-21
The properties of a low molecular weight organic dye, namely 4-naphthyloxy-1-methoxy-2,2,6,6-tetramethylpiperidine, covalently bound to an apolar polyolefin were investigated by means of a multi-level approach, combining classical molecular dynamics simulations, based on purposely parameterized force fields, and quantum mechanical calculations based on density functional theory (DFT) and its time-dependent extension (TD-DFT). The structure and dynamics of the dye in its embedding medium were analyzed and discussed taking the entangling effect of the surrounding polymer into account, and also by comparing the results to those obtained for a different environment, i.e. toluene solution. Finally, the influence was investigated of long lived cages found in the polymeric embedding on photophysical properties, in terms of the slow and fast dye's internal dynamics, by comparing computed IR and UV spectra with their experimental counterparts.
Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials
NASA Astrophysics Data System (ADS)
Guilhon, I.; Koda, D. S.; Ferreira, L. G.; Marques, M.; Teles, L. K.
2018-01-01
At the same time that two-dimensional (2D) systems open possibilities for new physics and applications, they present a higher challenge for electronic structure calculations, especially concerning excitations. The achievement of a fast and accurate practical model that incorporates approximate quasiparticle corrections can further open an avenue for more reliable band structure calculations of complex systems such as interactions of 2D materials with substrates or molecules, as well as the formation of van der Waals heterostructures. In this work, we demonstrate that the performance of the fast and parameter-free DFT-1/2 method is comparable with state-of-the-art GW and superior to the HSE06 hybrid functional in the majority set of the 34 different 2D materials studied. Moreover, based on the knowledge of the method and chemical information of the material, we can predict the small number of cases in which the method is not so effective and also provide the best recipe for an optimized DFT-1/2 method based on the electronegativity difference of the bonding atoms.
Quasiparticle Lifetime Broadening in Resonant X-ray Scattering of NH4NO3.
Vinson, John; Jach, Terrence; Müller, Matthias; Unterumsberger, Rainer; Beckhoff, Burkhard
2016-07-15
It has been previously shown that two effects cause dramatic changes in the x-ray absorption and emission spectra from the N K edge of the insulating crystal ammonium nitrate. First, vibrational disorder causes major changes in the absorption spectrum, originating not only from the thermal population of phonons, but, significantly, from zero-point motion as well. Second, the anomalously large broadening ( ~ 4 eV) of the emission originating from nitrate σ states is due to unusually short lifetimes of quasiparticles in an otherwise extremely narrow band. In this work we investigate the coupling of these effects to core and valence excitons that are created as the initial x-ray excitation energy is progressively reduced toward the N edge. Using a GW /Bethe-Salpeter approach, we show the extent to which this anomalous broadening is captured by the GW approximation. The data and calculations demonstrate the importance that the complex self-energies (finite lifetimes) of valence bands have on the interpretation of emission spectra. We produce a scheme to explain why extreme lifetimes should appear in σ states of other similar compounds.
Multimodal properties and dynamics of gradient echo quantum memory.
Hétet, G; Longdell, J J; Sellars, M J; Lam, P K; Buchler, B C
2008-11-14
We investigate the properties of a recently proposed gradient echo memory (GEM) scheme for information mapping between optical and atomic systems. We show that GEM can be described by the dynamic formation of polaritons in k space. This picture highlights the flexibility and robustness with regards to the external control of the storage process. Our results also show that, as GEM is a frequency-encoding memory, it can accurately preserve the shape of signals that have large time-bandwidth products, even at moderate optical depths. At higher optical depths, we show that GEM is a high fidelity multimode quantum memory.
Impact of freeze-thaw on liquefaction potential and dynamic properties of Mabel Creek silt.
DOT National Transportation Integrated Search
2009-02-01
"This study examines the influence of temperature rise and freeze-thaw cycles on the soil liquefaction potential. More specifically, dynamic properties and post-cyclicloading : settlement of fine-grained soils are evaluated in this study. The results...
General dynamical properties of cosmological models with nonminimal kinetic coupling
NASA Astrophysics Data System (ADS)
Matsumoto, Jiro; Sushkov, Sergey V.
2018-01-01
We consider cosmological dynamics in the theory of gravity with the scalar field possessing the nonminimal kinetic coupling to curvature given as η Gμνphi,μphi,ν, where η is an arbitrary coupling parameter, and the scalar potential V(phi) which assumed to be as general as possible. With an appropriate dimensionless parametrization we represent the field equations as an autonomous dynamical system which contains ultimately only one arbitrary function χ (x)= 8 π | η | V(x/√8 π) with x=√8 πphi. Then, assuming the rather general properties of χ(x), we analyze stationary points and their stability, as well as all possible asymptotical regimes of the dynamical system. It has been shown that for a broad class of χ(x) there exist attractors representing three accelerated regimes of the Universe evolution, including de Sitter expansion (or late-time inflation), the Little Rip scenario, and the Big Rip scenario. As the specific examples, we consider a power-law potential V(phi)=M4(phi/phi0)σ, Higgs-like potential V(phi)=λ/4(phi2‑phi02)2, and exponential potential V(phi)=M4 e‑phi/phi0.
Effect of group walking traffic on dynamic properties of pedestrian structures
NASA Astrophysics Data System (ADS)
Shahabpoor, E.; Pavic, A.; Racic, V.; Zivanovic, S.
2017-01-01
The increasing number of reported vibration serviceability problems in newly built pedestrian structures, such as footbridges and floors, under walking load has attracted considerable attention in the civil engineering community over the past two decades. The key design challenges are: the inter- and intra-subject variability of walking people, the unknown mechanisms of their interaction with the vibrating walking surfaces and the synchronisation between individuals in a group. Ignoring all or some of these factors makes the current design methods an inconsistent approximation of reality. This often leads to considerable over- or under-estimation of the structural response, yielding an unreliable assessment of vibration performance. Changes to the dynamic properties of an empty structure due to the presence of stationary people have been studied extensively over the past two decades. The understanding of the similar effect of walking people on laterally swaying bridges has improved tremendously in the past decade, due to considerable research prompted by the Millennium Bridge problem. However, there is currently a gap in knowledge about how moving pedestrians affect the dynamic properties of vertically vibrating structures. The key reason for this gap is the scarcity of credible experimental data pertinent to moving pedestrians on vertically vibrating structures, especially for multi-pedestrian traffic. This paper addresses this problem by studying the dynamic properties of the combined human-structure system, i.e. occupied structure damping ratio, natural frequency and modal mass. This was achieved using a comprehensive set of frequency response function records, measured on a full-scale test structure, which was occupied by various numbers of moving pedestrians under different walking scenarios. Contrary to expectations, it was found that the natural frequency of the joint moving human-structure system was higher than that of the empty structure, while it was
Tavora, Marco; Rosch, Achim; Mitra, Aditi
2014-07-04
The dynamics of interacting bosons in one dimension following the sudden switching on of a weak disordered potential is investigated. On time scales before quasiparticles scatter (prethermalized regime), the dephasing from random elastic forward scattering causes all correlations to decay exponentially fast, but the system remains far from thermal equilibrium. For longer times, the combined effect of disorder and interactions gives rise to inelastic scattering and to thermalization. A novel quantum kinetic equation accounting for both disorder and interactions is employed to study the dynamics. Thermalization turns out to be most effective close to the superfluid-Bose-glass critical point where nonlinearities become more and more important. The numerically obtained thermalization times are found to agree well with analytic estimates.
2013-01-01
W L. Physical properties of concentrated nitric acid . UNT Digital Library. http://digital.library.unt.edu/ark:/67531/metadc56640/.) 23 M. Engelmann... Nitric Acid Mixtures: Insights from Molecular Dynamics Simulations 5a. CONTRACT NUMBER FA9300-11-C-3012 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER...Rev. 8-98) Prescribed by ANSI Std. 239.18 1 Thermophysical Properties of Energetic Ionic Liquids/ Nitric Acid
Structural and dynamical properties of liquid Al-Au alloys
NASA Astrophysics Data System (ADS)
Peng, H. L.; Voigtmann, Th.; Kolland, G.; Kobatake, H.; Brillo, J.
2015-11-01
We investigate temperature- and composition-dependent structural and dynamical properties of Al-Au melts. Experiments are performed to obtain accurate density and viscosity data. The system shows a strong negative excess volume, similar to other Al-based binary alloys. We develop a molecular-dynamics (MD) model of the melt based on the embedded-atom method (EAM), gauged against the available experimental liquid-state data. A rescaling of previous EAM potentials for solid-state Au and Al improves the quantitative agreement with experimental data in the melt. In the MD simulation, the admixture of Au to Al can be interpreted as causing a local compression of the less dense Al system, driven by less soft Au-Au interactions. This local compression provides a microscopic mechanism explaining the strong negative excess volume of the melt. We further discuss the concentration dependence of self- and interdiffusion and viscosity in the MD model. Al atoms are more mobile than Au, and their increased mobility is linked to a lower viscosity of the melt.
Rapid cable tension estimation using dynamic and mechanical properties
NASA Astrophysics Data System (ADS)
Martínez-Castro, Rosana E.; Jang, Shinae; Christenson, Richard E.
2016-04-01
Main tension elements are critical to the overall stability of cable-supported bridges. A dependable and rapid determination of cable tension is desired to assess the state of a cable-supported bridge and evaluate its operability. A portable smart sensor setup is presented to reduce post-processing time and deployment complexity while reliably determining cable tension using dynamic characteristics extracted from spectral analysis. A self-recording accelerometer is coupled with a single-board microcomputer that communicates wirelessly with a remote host computer. The portable smart sensing device is designed such that additional algorithms, sensors and controlling devices for various monitoring applications can be installed and operated for additional structural assessment. The tension-estimating algorithms are based on taut string theory and expand to consider bending stiffness. The successful combination of cable properties allows the use of a cable's dynamic behavior to determine tension force. The tension-estimating algorithms are experimentally validated on a through-arch steel bridge subject to ambient vibration induced by passing traffic. The tension estimation is determined in well agreement with previously determined tension values for the structure.
NASA Astrophysics Data System (ADS)
Alfi, V.; Cristelli, M.; Pietronero, L.; Zaccaria, A.
2009-02-01
We present a detailed study of the statistical properties of the Agent Based Model introduced in paper I [Eur. Phys. J. B, DOI: 10.1140/epjb/e2009-00028-4] and of its generalization to the multiplicative dynamics. The aim of the model is to consider the minimal elements for the understanding of the origin of the stylized facts and their self-organization. The key elements are fundamentalist agents, chartist agents, herding dynamics and price behavior. The first two elements correspond to the competition between stability and instability tendencies in the market. The herding behavior governs the possibility of the agents to change strategy and it is a crucial element of this class of models. We consider a linear approximation for the price dynamics which permits a simple interpretation of the model dynamics and, for many properties, it is possible to derive analytical results. The generalized non linear dynamics results to be extremely more sensible to the parameter space and much more difficult to analyze and control. The main results for the nature and self-organization of the stylized facts are, however, very similar in the two cases. The main peculiarity of the non linear dynamics is an enhancement of the fluctuations and a more marked evidence of the stylized facts. We will also discuss some modifications of the model to introduce more realistic elements with respect to the real markets.
Characterization of the Dynamic Material Properties of Magnetostrictive Terfenol-D
NASA Technical Reports Server (NTRS)
Calkins, Frederick T.; Flatau, Alison B.; Hall, David L.
1996-01-01
A major limitation in use of electromagnetic and/or magnetomechanical models for design of Terfenol-D actuators is the lack of reliable material property data for Terfenol-D. In particular data on the performance of Terfenol-D as employed in a transducer, operating under real world dynamic conditions is needed. To provide this information, Terfenol-D rod properties need to be measured under as run prestressed and magnetically biased states. Using a Terfenol-D actuator, the following properties can be measured and/or calculated: mechanical quality factor, speed of sound in the material, the resonant frequency, the anti-resonant frequency, two magnetic permeabilities (one at constant stress and one at constant strain), two Young's moduli (one at constant amplitude applied magnetic field and one at constant amplitude magnetic flux density in the material), the magnetomechanical coupling, and the axial strain coefficient. The development of the material properties measurements and calculations is based on the model of low signal, linear, magnetostriction from Clark, the linear transduction equations for a transducer from Hunt, and a one degree of freedom mechanical model of the transducer. The electrical impedance and admittance mobility loops are used to determine the resonant, anti-resonant, and half power point frequencies. The rest of the material properties indicated above can then be calculated using these frequencies, acceleration from an accelerometer mounted on the actuator arm, and readily measurable transducer and Terfenol-D rod parameters.
Respiratory system dynamical mechanical properties: modeling in time and frequency domain.
Carvalho, Alysson Roncally; Zin, Walter Araujo
2011-06-01
The mechanical properties of the respiratory system are important determinants of its function and can be severely compromised in disease. The assessment of respiratory system mechanical properties is thus essential in the management of some disorders as well as in the evaluation of respiratory system adaptations in response to an acute or chronic process. Most often, lungs and chest wall are treated as a linear dynamic system that can be expressed with differential equations, allowing determination of the system's parameters, which will reflect the mechanical properties. However, different models that encompass nonlinear characteristics and also multicompartments have been used in several approaches and most specifically in mechanically ventilated patients with acute lung injury. Additionally, the input impedance over a range of frequencies can be assessed with a convenient excitation method allowing the identification of the mechanical characteristics of the central and peripheral airways as well as lung periphery impedance. With the evolution of computational power, the airway pressure and flow can be recorded and stored for hours, and hence continuous monitoring of the respiratory system mechanical properties is already available in some mechanical ventilators. This review aims to describe some of the most frequently used models for the assessment of the respiratory system mechanical properties in both time and frequency domain.
NASA Astrophysics Data System (ADS)
Nath, S. K. Deb
2017-10-01
Using molecular dynamics simulation, tension and bending tests of a Fe nanopillar are carried out to obtain its Young's modulus and yield strength. Then the comparative study of Young's modulus and yield strength of a Fe nanopillar under bending and tension are carried out varying its diameter in the range of diameter 1-15nm. We find out the reasons why bending Young's modulus and yield strength of a Fe nanopillar are higher than those of tension Young's modulus and yield strength of a Fe nanopillar. Using the mobility parameters of bulk Fe from the experimental study [N. Urabe and J. Weertman, Materials Science and Engineering 18, 41 (1975)], its temperature dependent stress-strain relationship, yield strength and strain hardening modulus are obtained from the dislocation dynamics simulations. Strain rate dependent yield strength and strain hardening modulus of bulk Fe pillars under tension are studied. Temperature dependent creep behaviors of bulk Fe pillars under tension are also studied. To verify the soundness of the present dislocation dynamics studies of the mechanical properties of bulk Fe pillars under tension, the stress vs. strain relationship and dislocation density vs. strain of bulk Fe pillars obtained by us are compared with the published results obtained by S. Queyreau, G. Monnet, and B. Devincre, International Journal of Plasticity 25, 361 (2009).
Effects of spatial variability of soil hydraulic properties on water dynamics
NASA Astrophysics Data System (ADS)
Gumiere, Silvio Jose; Caron, Jean; Périard, Yann; Lafond, Jonathan
2013-04-01
Soil hydraulic properties may present spatial variability and dependence at the scale of watersheds or fields even in man-made single soil structures, such as cranberry fields. The saturated hydraulic conductivity (Ksat) and soil moisture curves were measured at two depths for three cranberry fields (about 2 ha) at three different sites near Québec city, Canada. Two of the three studied fields indicate strong spatial dependence for Ksat values and soil moisture curves both in horizontal and vertical directions. In the summer of 2012, the three fields were equipped with 55 tensiometers installed at a depth of 0.10 m in a regular grid. About 20 mm of irrigation water were applied uniformly by aspersion to the fields, raising soil water content to near saturation condition. Soil water tension was measured once every hour during seven days. Geostatistical techniques such as co-kriging and cross-correlograms estimations were used to investigate the spatial dependence between variables. The results show that soil tension varied faster in high Ksat zones than in low Ksatones in the cranberry fields. These results indicate that soil water dynamic is strongly affected by the variability of saturated soil hydraulic conductivity, even in a supposed homogenous anthropogenic soil. This information may have a strong impact in irrigation management and subsurface drainage efficiency as well as other water conservation issues. Future work will involve 3D numerical modeling of the field water dynamics with HYDRUS software. The anticipated outcome will provide valuable information for the understanding of the effect of spatial variability of soil hydraulic properties on soil water dynamics and its relationship with crop production and water conservation.
Differential flatness properties and multivariable adaptive control of ovarian system dynamics
NASA Astrophysics Data System (ADS)
Rigatos, Gerasimos
2016-12-01
The ovarian system exhibits nonlinear dynamics which is modeled by a set of coupled nonlinear differential equations. The paper proposes adaptive fuzzy control based on differential flatness theory for the complex dynamics of the ovarian system. It is proven that the dynamic model of the ovarian system, having as state variables the LH and the FSH hormones and their derivatives, is a differentially flat one. This means that all its state variables and its control inputs can be described as differential functions of the flat output. By exploiting differential flatness properties the system's dynamic model is written in the multivariable linear canonical (Brunovsky) form, for which the design of a state feedback controller becomes possible. After this transformation, the new control inputs of the system contain unknown nonlinear parts, which are identified with the use of neurofuzzy approximators. The learning procedure for these estimators is determined by the requirement the first derivative of the closed-loop's Lyapunov function to be a negative one. Moreover, Lyapunov stability analysis shows that H-infinity tracking performance is succeeded for the feedback control loop and this assures improved robustness to the aforementioned model uncertainty as well as to external perturbations. The efficiency of the proposed adaptive fuzzy control scheme is confirmed through simulation experiments.
Yao, Bao-Guo; Peng, Yun-Liang; Zhang, De-Pin
2017-01-01
Porous polymeric materials, such as textile fabrics, are elastic and widely used in our daily life for garment and household products. The mechanical and dynamic heat transfer properties of porous polymeric materials, which describe the sensations during the contact process between porous polymeric materials and parts of the human body, such as the hand, primarily influence comfort sensations and aesthetic qualities of clothing. A multi-sensory measurement system and a new method were proposed to simultaneously sense the contact and characterize the mechanical and dynamic heat transfer properties of porous polymeric materials, such as textile fabrics in one instrument, with consideration of the interactions between different aspects of contact feels. The multi-sensory measurement system was developed for simulating the dynamic contact and psychological judgment processes during human hand contact with porous polymeric materials, and measuring the surface smoothness, compression resilience, bending and twisting, and dynamic heat transfer signals simultaneously. The contact sensing principle and the evaluation methods were presented. Twelve typical sample materials with different structural parameters were measured. The results of the experiments and the interpretation of the test results were described. An analysis of the variance and a capacity study were investigated to determine the significance of differences among the test materials and to assess the gage repeatability and reproducibility. A correlation analysis was conducted by comparing the test results of this measurement system with the results of Kawabata Evaluation System (KES) in separate instruments. This multi-sensory measurement system provides a new method for simultaneous contact sensing and characterizing of mechanical and dynamic heat transfer properties of porous polymeric materials. PMID:29084152
Yao, Bao-Guo; Peng, Yun-Liang; Zhang, De-Pin
2017-10-30
Porous polymeric materials, such as textile fabrics, are elastic and widely used in our daily life for garment and household products. The mechanical and dynamic heat transfer properties of porous polymeric materials, which describe the sensations during the contact process between porous polymeric materials and parts of the human body, such as the hand, primarily influence comfort sensations and aesthetic qualities of clothing. A multi-sensory measurement system and a new method were proposed to simultaneously sense the contact and characterize the mechanical and dynamic heat transfer properties of porous polymeric materials, such as textile fabrics in one instrument, with consideration of the interactions between different aspects of contact feels. The multi-sensory measurement system was developed for simulating the dynamic contact and psychological judgment processes during human hand contact with porous polymeric materials, and measuring the surface smoothness, compression resilience, bending and twisting, and dynamic heat transfer signals simultaneously. The contact sensing principle and the evaluation methods were presented. Twelve typical sample materials with different structural parameters were measured. The results of the experiments and the interpretation of the test results were described. An analysis of the variance and a capacity study were investigated to determine the significance of differences among the test materials and to assess the gage repeatability and reproducibility. A correlation analysis was conducted by comparing the test results of this measurement system with the results of Kawabata Evaluation System (KES) in separate instruments. This multi-sensory measurement system provides a new method for simultaneous contact sensing and characterizing of mechanical and dynamic heat transfer properties of porous polymeric materials.
Sivak, David A; Chodera, John D; Crooks, Gavin E
2014-06-19
When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon desirable properties. However, for stochastic equations of motion (e.g., Langevin dynamics), there is still broad disagreement over which integration algorithms are most appropriate. While multiple desiderata have been proposed throughout the literature, consensus on which criteria are important is absent, and no published integration scheme satisfies all desiderata simultaneously. Additional nontrivial complications stem from simulating systems driven out of equilibrium using existing stochastic integration schemes in conjunction with recently developed nonequilibrium fluctuation theorems. Here, we examine a family of discrete time integration schemes for Langevin dynamics, assessing how each member satisfies a variety of desiderata that have been enumerated in prior efforts to construct suitable Langevin integrators. We show that the incorporation of a novel time step rescaling in the deterministic updates of position and velocity can correct a number of dynamical defects in these integrators. Finally, we identify a particular splitting (related to the velocity Verlet discretization) that has essentially universally appropriate properties for the simulation of Langevin dynamics for molecular systems in equilibrium, nonequilibrium, and path sampling contexts.
Reddy, Th Dhileep N; Mallik, Bhabani S
2017-04-19
This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations. The structural features of these ILs were characterised by calculating the site-site radial distribution functions, g(r), spatial distribution functions and structure factors. The structural properties demonstrate that ILs show greater interaction between cations and anions when alkyl chain length increases on the cation or anion. In all ILs, spatial distribution functions show that the anion is close to the acidic hydrogen atoms of the ammonium cation. We determined the role of alkyl group functionalization of the charged entities, cations and anions, in the dynamical behavior and the transport coefficients of this family of ionic liquids. The dynamics of ILs are described by studying the mean square displacement (MSD) of the centres of mass of the ions, diffusion coefficients, ionic conductivities and hydrogen bonds as well as residence dynamics. The diffusion coefficients and ionic conductivity decrease with an increase in the size of the cation or anion. The effect of alkyl chain length on ionic conductivity calculated in this article is consistent with the findings of other experimental studies. Hydrogen bond lifetimes and residence times along with structure factors were also calculated, and are related to alkyl chain length.
NASA Astrophysics Data System (ADS)
Pishtshev, A.; Karazhanov, S. Zh.
2017-02-01
Based on the combination of density functional theory and theory-group methods, we performed systematic modeling of γ-CuI structural design at the atomistic level. Being started from the metallic copper lattice, we treated a crystal assembly as a stepwise iodination process characterized in terms of a sequence of intermediate lattice geometries. These geometries were selected and validated via screening of possible structural transformations. The genesis of chemical bonding was studied for three structural transformations by analyzing the relevant changes in the topology of valence electron densities. We determined structural trends driven by metal-ligand coupling. This allowed us to suggest the improved scenario of chemical bonding in γ-CuI. In particular, the unconventional effect of spatial separation of metallic and covalent interactions was found to be very important with respect to the preferred arrangements of valence electrons in the iodination process. We rigorously showed that useful electronic and optical properties of γ-CuI originate from the combination of two separated bonding patterns—strong covalency established in I-Cu tetrahedral connections and noncovalent interactions of copper cores is caused by the 3d10 closed-shell electron configurations. The other finding of ours is that the self-consistency of the GW calculations is crucial for correctly determining the dynamic electronic correlations in γ-CuI. Detail reinvestigation of the quasi-particle energy structure by means of the self-consistent GW approach allowed us to explain how p-type electrical conductivity can be engineered in the material.
Dynamic Properties of the Alkaline Vesicle Population at Hippocampal Synapses
Röther, Mareike; Brauner, Jan M.; Ebert, Katrin; Welzel, Oliver; Jung, Jasmin; Bauereiss, Anna; Kornhuber, Johannes; Groemer, Teja W.
2014-01-01
In compensatory endocytosis, scission of vesicles from the plasma membrane to the cytoplasm is a prerequisite for intravesicular reacidification and accumulation of neurotransmitter molecules. Here, we provide time-resolved measurements of the dynamics of the alkaline vesicle population which appears upon endocytic retrieval. Using fast perfusion pH-cycling in live-cell microscopy, synapto-pHluorin expressing rat hippocampal neurons were electrically stimulated. We found that the relative size of the alkaline vesicle population depended significantly on the electrical stimulus size: With increasing number of action potentials the relative size of the alkaline vesicle population expanded. In contrast to that, increasing the stimulus frequency reduced the relative size of the population of alkaline vesicles. Measurement of the time constant for reacification and calculation of the time constant for endocytosis revealed that both time constants were variable with regard to the stimulus condition. Furthermore, we show that the dynamics of the alkaline vesicle population can be predicted by a simple mathematical model. In conclusion, here a novel methodical approach to analyze dynamic properties of alkaline vesicles is presented and validated as a convenient method for the detection of intracellular events. Using this method we show that the population of alkaline vesicles is highly dynamic and depends both on stimulus strength and frequency. Our results implicate that determination of the alkaline vesicle population size may provide new insights into the kinetics of endocytic retrieval. PMID:25079223
Zhao, Lijia; Park, Nokeun; Tian, Yanzhong; Shibata, Akinobu; Tsuji, Nobuhiro
2016-01-01
Dynamic recrystallization (DRX) is an important grain refinement mechanism to fabricate steels with high strength and high ductility (toughness). The conventional DRX mechanism has reached the limitation of refining grains to several microns even though employing high-strain deformation. Here we show a DRX phenomenon occurring in the dynamically transformed (DT) ferrite, by which the required strain for the operation of DRX and the formation of ultrafine grains is significantly reduced. The DRX of DT ferrite shows an unconventional temperature dependence, which suggests an optimal condition for grain refinement. We further show that new strategies for ultra grain refinement can be evoked by combining DT and DRX mechanisms, based on which fully ultrafine microstructures having a mean grain size down to 0.35 microns can be obtained without high-strain deformation and exhibit superior mechanical properties. This study will open the door to achieving optimal grain refinement to nanoscale in a variety of steels requiring no high-strain deformation in practical industrial application. PMID:27966603
Mano, J F; Vaz, C M; Mendes, S C; Reis, R L; Cunha, A M
1999-12-01
It has been shown that blends of starch with a poly(ethylene-vinyl-alcohol) copolymer, EVOH, designated as SEVA-C, present an interesting combination of mechanical, degradation and biocompatible properties, specially when filled with hydroxyapatite (HA). Consequently, they may find a range of applications in the biomaterials field. This work evaluated the influence of HA fillers and of blowing agents (used to produce porous architectures) over the viscoelastic properties of SEVA-C polymers, as seen by dynamic mechanical analysis (DMA), in order to speculate on their performances when withstanding cyclic loading in the body. The composite materials presented a promising performance under dynamic mechanical solicitation conditions. Two relaxations were found being attributed to the starch and EVOH phases. The EVOH relaxation process may be very useful in vivo improving the implants performance under cyclic loading. DMA results also showed that it is possible to produce SEVA-C compact surface/porous core architectures with a mechanical performance similar to that of SEVA-C dense materials. This may allow for the use of these materials as bone replacements or scaffolds that must withstand loads when implanted. Copyright 1999 Kluwer Academic Publishers
NASA Astrophysics Data System (ADS)
Castellano, Claudio; Pastor-Satorras, Romualdo
2017-10-01
The largest eigenvalue of a network's adjacency matrix and its associated principal eigenvector are key elements for determining the topological structure and the properties of dynamical processes mediated by it. We present a physically grounded expression relating the value of the largest eigenvalue of a given network to the largest eigenvalue of two network subgraphs, considered as isolated: the hub with its immediate neighbors and the densely connected set of nodes with maximum K -core index. We validate this formula by showing that it predicts, with good accuracy, the largest eigenvalue of a large set of synthetic and real-world topologies. We also present evidence of the consequences of these findings for broad classes of dynamics taking place on the networks. As a by-product, we reveal that the spectral properties of heterogeneous networks built according to the linear preferential attachment model are qualitatively different from those of their static counterparts.
NASA Astrophysics Data System (ADS)
Rabinovich, A.; Dagan, G.; Miloh, T.
2013-04-01
In unsteady groundwater flow (or similar processes of heat/electrical conduction), the heterogeneous medium structure is characterized by two random properties, the conductivity K and the specific storativity S. The average head field ⟨H ⟩and the associated effective properties Kef, Sef are determined for a layer with a periodic head drop between boundaries, such that H is periodic in time, and a medium made up of a matrix with a dilute concentration of spherical inclusions. In the common quasi-steady approximation, Kef is equal to the classical steady solution while Sef = SA, the arithmetic mean. We derive expressions for the frequency dependent Kef, Sef, which are generally complex, i.e., dynamic. The main result is the delineation of the ranges of the parameters: dimensionless frequency (ω) and contrasts of conductivity (κ) and storativity (s) between the matrix and the inclusions, for which dynamic effects are significant.
Quench dynamics of topological maximally entangled states.
Chung, Ming-Chiang; Jhu, Yi-Hao; Chen, Pochung; Mou, Chung-Yu
2013-07-17
We investigate the quench dynamics of the one-particle entanglement spectra (OPES) for systems with topologically nontrivial phases. By using dimerized chains as an example, it is demonstrated that the evolution of OPES for the quenched bipartite systems is governed by an effective Hamiltonian which is characterized by a pseudospin in a time-dependent pseudomagnetic field S(k,t). The existence and evolution of the topological maximally entangled states (tMESs) are determined by the winding number of S(k,t) in the k-space. In particular, the tMESs survive only if nontrivial Berry phases are induced by the winding of S(k,t). In the infinite-time limit the equilibrium OPES can be determined by an effective time-independent pseudomagnetic field Seff(k). Furthermore, when tMESs are unstable, they are destroyed by quasiparticles within a characteristic timescale in proportion to the system size.
Dynamic dielectric properties of a wood liquefaction system using polyethylene glycol and glycerol
Mengchao Zhou; Thomas L. Eberhardt; Bo Cai; Chung-Yun Hse; Hui Pan
2017-01-01
Microwave-assisted liquefaction has shown potential for rapid thermal processing of lignocellulosic biomass. The efficiency of microwave heating depends largely on the dielectric properties of the materials being heated. The objective of this study was to investigate the dynamic interactions between microwave energy and the reaction system during the liquefaction of a...
Liu, Yang; Jiang, Mingming; Zhang, Zhenzhong; Li, Binghui; Zhao, Haifeng; Shan, Chongxin; Shen, Dezhen
2018-03-28
The generation of hot electrons from metal nanostructures through plasmon decay provided a direct interfacial charge transfer mechanism, which no longer suffers from the barrier height restrictions observed for metal/semiconductor interfaces. Metal plasmon-mediated energy conversion with higher efficiency has been proposed as a promising alternative to construct novel optoelectronic devices, such as photodetectors, photovoltaic and photocatalytic devices, etc. However, the realization of the electrically-driven generation of hot electrons, and the application in light-emitting devices remain big challenges. Here, hybrid architectures comprising individual Ga-doped ZnO (ZnO:Ga) microwires via metal quasiparticle film decoration were fabricated. The hottest spots could be formed towards the center of the wires, and the quasiparticle films were converted into physically isolated nanoparticles by applying a bias onto the wires. Thus, the hot electrons became spatially localized towards the hottest regions, leading to a release of energy in the form of emitting photons. By adjusting the sputtering times and appropriate alloys, such as Au and Ag, wavelength-tunable emissions could be achieved. To exploit the EL emission characteristics, metal plasmons could be used as active elements to mediate the generation of hot electrons from metal nanostructures, which are located in the light-emitting regions, followed by injection into ZnO:Ga microwire-channels; thus, the production of plasmon decay-induced hot-electrons could function as an efficient approach to dominate emission wavelengths. Therefore, by introducing metal nanostructure decoration, individual ZnO:Ga microwires can be used to construct wavelength-tunable fluorescent emitters. The hybrid architectures of metal-ZnO micro/nanostructures offer a fantastic candidate to broaden the potential applications of semiconducting optoelectronic devices, such as photovoltaic devices, photodetectors, optoelectronic sensors, etc.