A numerical study of Coulomb interaction effects on 2D hopping transport.

PubMed

Kinkhabwala, Yusuf A; Sverdlov, Viktor A; Likharev, Konstantin K

2006-02-15

We have extended our supercomputer-enabled Monte Carlo simulations of hopping transport in completely disordered 2D conductors to the case of substantial electron-electron Coulomb interaction. Such interaction may not only suppress the average value of hopping current, but also affect its fluctuations rather substantially. In particular, the spectral density S(I)(f) of current fluctuations exhibits, at sufficiently low frequencies, a 1/f-like increase which approximately follows the Hooge scaling, even at vanishing temperature. At higher f, there is a crossover to a broad range of frequencies in which S(I)(f) is nearly constant, hence allowing characterization of the current noise by the effective Fano factor [Formula: see text]. For sufficiently large conductor samples and low temperatures, the Fano factor is suppressed below the Schottky value (F = 1), scaling with the length L of the conductor as F = (L(c)/L)(α). The exponent α is significantly affected by the Coulomb interaction effects, changing from α = 0.76 ± 0.08 when such effects are negligible to virtually unity when they are substantial. The scaling parameter L(c), interpreted as the average percolation cluster length along the electric field direction, scales as [Formula: see text] when Coulomb interaction effects are negligible and [Formula: see text] when such effects are substantial, in good agreement with estimates based on the theory of directed percolation.

Coulomb Interactions in Hanbury Brown-Twiss Experiments with Electrons

ERIC Educational Resources Information Center

Shen, Kan

2009-01-01

This dissertation examines the effect of Coulomb interactions in Hanbury Brown-Twiss (HBT) type experiments with electrons. HBT experiments deal with intensity interference, which is related to the second-order correlation function of the particle field. This is an extension of the usual amplitude interference experiment, such as Young's…

Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2

NASA Astrophysics Data System (ADS)

Bentalha, Zine el abidine

2018-06-01

Exact analytical representation for the Coulomb matrix elements by means of Appell's double series F 2 is derived. The finite sum obtained for the Appell function F 2 allows us to evaluate explicitly the matrix elements of the two-body Coulomb interaction in the lowest Landau level. An application requiring the matrix elements of Coulomb potential in quantum Hall effect regime is presented.

Coulomb bound states of strongly interacting photons

DOE PAGES

Maghrebi, M. F.; Gullans, Michael J.; Bienias, P.; ...

2015-09-16

We show that two photons coupled to Rydberg states via electromagnetically induced transparency (EIT) can interact via an effective Coulomb potential. The interaction then gives rise to a continuum of two-body bound states. Within the continuum, metastable bound states are distinguished in analogy with quasi-bound states tunneling through a potential barrier. We find multiple branches of metastable bound states whose energy spectrum is governed by the Coulomb problem, thus obtaining a photonic analogue of the hydrogen atom. These states propagate with a negative group velocity in the medium, which allows for a simple preparation and detection scheme, before they slowlymore » decay to pairs of bound Rydberg atoms. As a result, we verify the metastability and backward propagation of these Coulomb bound states with exact numerical simulations.« less

Influence of Coulomb interaction of tunable shapes on the collective transport of ultradilute two-dimensional holes.

PubMed

Huang, Jian; Pfeiffer, L N; West, K W

2014-01-24

In high quality updoped GaAs field-effect transistors, the two-dimensional charge carrier concentrations can be tuned to very low values similar to the density of electrons on helium surfaces. An important interaction effect, screening of the Coulomb interaction by the gate, rises as a result of the large charge spacing comparable to the distance between the channel and the gate. Based on the results of the temperature (T) dependence of the resistivity from measuring four different samples, a power-law characteristic is found for charge densities ≤2×10(9)  cm(-2). Moreover, the exponent exhibits a universal dependence on a single dimensionless parameter, the ratio between the mean carrier separation and the distance to the metallic gate that screens the Coulomb interaction. Thus, the electronic properties are tuned through varying the shape of the interaction potential.

Microscopic theory of the Coulomb based exchange coupling in magnetic tunnel junctions.

PubMed

Udalov, O G; Beloborodov, I S

2017-05-04

We study interlayer exchange coupling based on the many-body Coulomb interaction between conduction electrons in magnetic tunnel junction. This mechanism complements the known interaction between magnetic layers based on virtual electron hopping (or spin currents). We find that these two mechanisms have different behavior on system parameters. The Coulomb based coupling may exceed the hopping based exchange. We show that the Coulomb based exchange interaction, in contrast to the hopping based coupling, depends strongly on the dielectric constant of the insulating layer. The dependence of the interlayer exchange interaction on the dielectric properties of the insulating layer in magnetic tunnel junction is similar to magneto-electric effect where electric and magnetic degrees of freedom are coupled. We calculate the interlayer coupling as a function of temperature and electric field for magnetic tunnel junction with ferroelectric layer and show that the exchange interaction between magnetic leads has a sharp decrease in the vicinity of the ferroelectric phase transition and varies strongly with external electric field.

Coexistence of Velocity Renormalization and Ferrimagnetic Fluctuation in the Organic Dirac Electron System α-(BEDT-TTF)2I3

NASA Astrophysics Data System (ADS)

Matsuno, Genki; Kobayashi, Akito

2018-05-01

We evaluate the uniform spin susceptibility in an extended Hubbard model describing α-(BEDT-TTF)2I3. Employing the Fock-type self-energy with the long-range Coulomb interaction and the random phase approximation with the on-site Coulomb interaction, it is clarified that the characteristic energy scales at which ferrimagnetic fluctuation and velocity renormalization emerge are different. This is why these phenomena coexist while the ferrimagnetic fluctuation is disturbed by the velocity renormalization. In addition, it is found that screening effect to the self-energy is irrelevant in the presence of a strong on-site Coulomb interaction U.

Interplay between short-range correlated disorder and Coulomb interaction in nodal-line semimetals

NASA Astrophysics Data System (ADS)

Wang, Yuxuan; Nandkishore, Rahul M.

2017-09-01

In nodal-line semimetals, Coulomb interactions and short-range correlated disorder are both marginal perturbations to the clean noninteracting Hamiltonian. We analyze their interplay using a weak-coupling renormalization group approach. In the clean case, the Coulomb interaction has been found to be marginally irrelevant, leading to Fermi liquid behavior. We extend the analysis to incorporate the effects of disorder. The nodal line structure gives rise to kinematical constraints similar to that for a two-dimensional Fermi surface, which plays a crucial role in the one-loop renormalization of the disorder couplings. For a twofold degenerate nodal loop (Weyl loop), we show that disorder flows to strong coupling along a unique fixed trajectory in the space of symmetry inequivalent disorder couplings. Along this fixed trajectory, all symmetry inequivalent disorder strengths become equal. For a fourfold degenerate nodal loop (Dirac loop), disorder also flows to strong coupling, however, the strengths of symmetry inequivalent disorder couplings remain different. We show that feedback from disorder reverses the sign of the beta function for the Coulomb interaction, causing the Coulomb interaction to flow to strong coupling as well. However, the Coulomb interaction flows to strong coupling asymptotically more slowly than disorder. Extrapolating our results to strong coupling, we conjecture that at low energies nodal line semimetals should be described by a noninteracting nonlinear sigma model. We discuss the relation of our results with possible many-body localization at zero temperatures in such materials.

Super-Coulombic atom–atom interactions in hyperbolic media

PubMed Central

Cortes, Cristian L.; Jacob, Zubin

2017-01-01

Dipole–dipole interactions, which govern phenomena such as cooperative Lamb shifts, superradiant decay rates, Van der Waals forces and resonance energy transfer rates, are conventionally limited to the Coulombic near-field. Here we reveal a class of real-photon and virtual-photon long-range quantum electrodynamic interactions that have a singularity in media with hyperbolic dispersion. The singularity in the dipole–dipole coupling, referred to as a super-Coulombic interaction, is a result of an effective interaction distance that goes to zero in the ideal limit irrespective of the physical distance. We investigate the entire landscape of atom–atom interactions in hyperbolic media confirming the giant long-range enhancement. We also propose multiple experimental platforms to verify our predicted effect with phonon–polaritonic hexagonal boron nitride, plasmonic super-lattices and hyperbolic meta-surfaces as well. Our work paves the way for the control of cold atoms above hyperbolic meta-surfaces and the study of many-body physics with hyperbolic media. PMID:28120826

Super-Coulombic atom-atom interactions in hyperbolic media

NASA Astrophysics Data System (ADS)

Cortes, Cristian L.; Jacob, Zubin

2017-01-01

Dipole-dipole interactions, which govern phenomena such as cooperative Lamb shifts, superradiant decay rates, Van der Waals forces and resonance energy transfer rates, are conventionally limited to the Coulombic near-field. Here we reveal a class of real-photon and virtual-photon long-range quantum electrodynamic interactions that have a singularity in media with hyperbolic dispersion. The singularity in the dipole-dipole coupling, referred to as a super-Coulombic interaction, is a result of an effective interaction distance that goes to zero in the ideal limit irrespective of the physical distance. We investigate the entire landscape of atom-atom interactions in hyperbolic media confirming the giant long-range enhancement. We also propose multiple experimental platforms to verify our predicted effect with phonon-polaritonic hexagonal boron nitride, plasmonic super-lattices and hyperbolic meta-surfaces as well. Our work paves the way for the control of cold atoms above hyperbolic meta-surfaces and the study of many-body physics with hyperbolic media.

Hartree-Fock study of the Anderson metal-insulator transition in the presence of Coulomb interaction: Two types of mobility edges and their multifractal scaling exponents

NASA Astrophysics Data System (ADS)

Lee, Hyun-Jung; Kim, Ki-Seok

2018-04-01

We investigate the role of Coulomb interaction in the multifractality of Anderson metal-insulator transition, where the Coulomb interaction is treated within the Hartree-Fock approximation, but disorder effects are taken into account exactly. An innovative technical aspect in our simulation is to utilize the Ewald-sum technique, which allows us to introduce the long-range nature of the Coulomb interaction into Hartree-Fock self-consistent equations of order parameters more accurately. This numerical simulation reproduces the Altshuler-Aronov correction in a metallic state and the Efros-Shklovskii pseudogap in an insulating phase, where the density of states ρ (ω ) is evaluated in three dimensions. Approaching the quantum critical point of a metal-insulator transition from either the metallic or insulting phase, we find that the density of states is given by ρ (ω ) ˜|ω| 1 /2 , which determines one critical exponent of the McMillan-Shklovskii scaling theory. Our main result is to evaluate the eigenfunction multifractal scaling exponent αq, given by the Legendre transformation of the fractal dimension τq, which characterizes the scaling behavior of the inverse participation ratio with respect to the system size L . Our multifractal analysis leads us to identify two kinds of mobility edges, one of which occurs near the Fermi energy and the other of which appears at a high energy, where the density of states at the Fermi energy shows the Coulomb-gap feature. We observe that the multifractal exponent at the high-energy mobility edge remains to be almost identical to that of the Anderson localization transition in the absence of Coulomb interactions. On the other hand, we find that the multifractal exponent near the Fermi energy is more enhanced than that at the high-energy mobility edge, suspected to result from interaction effects. However, both the multifractal exponents do not change even if the strength of the Coulomb interaction varies. We also show that the multifractality singular spectrum can be classified into two categories, confirming the appearance of two types of mobility edges.

Magnetic field effect on the Coulomb interaction of acceptors in semimagnetic quantum dot

NASA Astrophysics Data System (ADS)

Kalpana, P.; Merwyn, A.; Reuben, Jasper D.; Nithiananthi, P.; Jayakumar, K.

2015-06-01

The Coulomb interaction of holes in a Semimagnetic Cd1-xMnxTe / CdTe Spherical and Cubical Quantum Dot (SMQD) in a magnetic field is studied using variational approach in the effective mass approximation. Since these holes in QD show a pronounced collective behavior, while distinct single particle phenomena is suppressed, their interaction in confined potential becomes very significant. It has been observed that acceptor-acceptor interaction is more in cubical QD than in spherical QD which can be controlled by the magnetic field. The results are presented and discussed.

First-principles calculations of shear moduli for Monte Carlo-simulated Coulomb solids

NASA Technical Reports Server (NTRS)

Ogata, Shuji; Ichimaru, Setsuo

1990-01-01

The paper presents a first-principles study of the shear modulus tensor for perfect and imperfect Coulomb solids. Allowance is made for the effects of thermal fluctuations for temperatures up to the melting conditions. The present theory treats the cases of the long-range Coulomb interaction, where volume fluctuations should be avoided in the Ewald sums.

Interplay of screening and superconductivity in low-dimensional materials

NASA Astrophysics Data System (ADS)

Schönhoff, G.; Rösner, M.; Groenewald, R. E.; Haas, S.; Wehling, T. O.

2016-10-01

A quantitative description of Coulomb interactions is developed for two-dimensional superconducting materials, enabling us to compare intrinsic with external screening effects, such as those due to substrates. Using the example of a doped monolayer of MoS2 embedded in a tunable dielectric environment, we demonstrate that the influence of external screening is limited to a length scale, bounded from below by the effective thickness of the quasi-two-dimensional material and from above by its intrinsic screening length. As a consequence, it is found that unconventional Coulomb-driven superconductivity cannot be induced in MoS2 by tuning the substrate properties alone. Our calculations of the retarded Morel-Anderson Coulomb potential μ* reveal that the Coulomb interactions, renormalized by the reduced layer thickness and the substrate properties, can shift the onset of the electron-phonon driven superconducting phase in monolayer MoS2 but do not significantly affect the critical temperature at optimal doping.

Abnormal blueshift of the absorption edge in graphene nanodots

NASA Astrophysics Data System (ADS)

Sheng, Weidong

2018-06-01

In a conventional semiconductor, when the dielectric screening effect is suppressed, the exciton binding energy increases and the corresponding excitonic transition would exhibit a redshift in the spectrum. In this work, I study the optical properties of hexagonal graphene nanodots by using a configuration interaction approach and reveal that the edge of the absorption spectrum shows an abnormal blueshift as the environmental dielectric constant ɛr decreases. The two dominant many-body effects in the nanodot: the quasiparticle and excitonic effects are both found to scale almost linearly with ɛr-1. The former is shown to have a larger proportionality constant and thus accounts for the blueshift of the absorption edge. In contrast to the long-range Coulomb interaction, the on-site Coulomb energy is found to have a negative impact on the bright excitonic states. In the presence of a strong dielectric screening effect, a strong short-range Coulomb interaction is revealed to be responsible for the disintegration of the bright exciton.

Emergence of liquid crystalline order in the lowest Landau level of a quantum Hall system with internal anisotropy

NASA Astrophysics Data System (ADS)

Ciftja, Orion

2018-05-01

It has now become evident that interplay between internal anisotropy parameters (such as electron mass anisotropy and/or anisotropic coupling of electrons to the substrate) and electron-electron correlation effects can create a rich variety of possibilities especially in quantum Hall systems. The electron mass anisotropy or material substrate effects (for example, the piezoelectric effect in GaAs) can lead to an effective anisotropic interaction potential between electrons. For lack of knowledge of realistic ab-initio potentials that may describe such effects, we adopt a phenomenological approach and assume that an anisotropic Coulomb interaction potential mimics the internal anisotropy of the system. In this work we investigate the emergence of liquid crystalline order at filling factor ν = 1/6 of the lowest Landau level, a state very close to the point where a transition from the liquid to the Wigner solid happens. We consider small finite systems of electrons interacting with an anisotropic Coulomb interaction potential and study the energy stability of an anisotropic liquid crystalline state relative to its isotropic Fermi-liquid counterpart. Quantum Monte Carlo simulation results in disk geometry show stabilization of liquid crystalline order driven by an anisotropic Coulomb interaction potential at all values of the interaction anisotropy parameter studied.

Effects of Coulomb Repulsion on the Phase Diagram of the Asakura-Oosawa Model

NASA Astrophysics Data System (ADS)

Haaga, Jason; Pemberton, Elizabeth; Gunton, James; Rickman, Jeffrey

We investigate the effect of adding a screened Coulomb charge to a model colloidal system interacting via the Asakura-Oosawa depletion potential. This model has previously been used to study the early stages of amelogenin self-assembly, a crucial process in the formation of dental enamel, by Li et al (BiophysicalJournal 101, 2502 (2011). By employing Monte Carlo simulations, we explore the role of interaction strengths and ranges on phase behavior. We find that charge strength and range have a strong influence on the stable, in the case of long range depletion potential, or metastable, in the case of short range depletion, fluid-fluid phase separation. Coulomb repulsion narrows and flattens the coexistence curve with increasing charge. This talk will also discuss solid-solid transitions present for certain interaction ranges. This work is supported by the G. Harold and Leila Y. Mathers Foundation.

Approximate arbitrary κ-state solutions of Dirac equation with Schiöberg and Manning-Rosen potentials within the coulomb-like Yukawa-like and generalized tensor interactions

NASA Astrophysics Data System (ADS)

Ikot, Akpan N.; Hassanabadi, Hassan; Obong, Hillary Patrick; Mehraban, H.; Yazarloo, Bentol Hoda

2015-07-01

The effects of Coulomb-like tensor (CLT), Yukawa-like tensor (YLT) and generalized tensor (GLT) interactions are investigated in the Dirac theory with Schiöberg and Manning-Rosen potentials within the framework of spin and pseudospin symmetries using the Nikiforov-Uvarov method. The bound state energy spectra and the radial wave functions have been approximately obtained in the case of spin and pseudospin symmetries. We have also reported some numerical results and figures to show the effects these tensor interactions.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

DOE PAGES

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; ...

2018-05-16

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; Ho, Kai-Ming; Antropov, Vladimir P.

2018-05-01

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo5 (M  =  Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA  +  U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropy (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Coulomb drag in electron-hole bilayer: Mass-asymmetry and exchange correlation effects

NASA Astrophysics Data System (ADS)

Arora, Priya; Singh, Gurvinder; Moudgil, R. K.

2018-04-01

Motivated by a recent experiment by Zheng et al. [App. Phys. Lett. 108, 062102 (2016)] on coulomb drag in electron-hole and hole-hole bilayers based on GaAs/AlGaAs semiconductor heterostructure, we investigate theoretically the influence of mass-asymmetry and temperature-dependence of correlations on the drag rate. The correlation effects are dealt with using the Vignale-Singwi effective inter-layer interaction model which includes correlations through local-field corrections to the bare coulomb interactions. However, in this work, we have incorporated only the intra-layer correlations using the temperature-dependent Hubbard approximation. Our results display a reasonably good agreement with the experimental data. However, it is crucial to include both the electron-hole mass-asymmetry and temperature-dependence of correlations. Mass-asymmetry and correlations are found to result in a substantial enhancement of drag resistivity.

Long-Range Coulomb Effect in Intense Laser-Driven Photoelectron Dynamics.

PubMed

Quan, Wei; Hao, XiaoLei; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Wang, YanLan; Sun, RenPing; Lai, XuanYang; Wu, ChengYin; Gong, QiHuang; He, XianTu; Liu, XiaoJun; Chen, Jing

2016-06-03

In strong field atomic physics community, long-range Coulomb interaction has for a long time been overlooked and its significant role in intense laser-driven photoelectron dynamics eluded experimental observations. Here we report an experimental investigation of the effect of long-range Coulomb potential on the dynamics of near-zero-momentum photoelectrons produced in photo-ionization process of noble gas atoms in intense midinfrared laser pulses. By exploring the dependence of photoelectron distributions near zero momentum on laser intensity and wavelength, we unambiguously demonstrate that the long-range tail of the Coulomb potential (i.e., up to several hundreds atomic units) plays an important role in determining the photoelectron dynamics after the pulse ends.

Long-Range Coulomb Effect in Intense Laser-Driven Photoelectron Dynamics

PubMed Central

Quan, Wei; Hao, XiaoLei; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Wang, YanLan; Sun, RenPing; Lai, XuanYang; Wu, ChengYin; Gong, QiHuang; He, XianTu; Liu, XiaoJun; Chen, Jing

2016-01-01

In strong field atomic physics community, long-range Coulomb interaction has for a long time been overlooked and its significant role in intense laser-driven photoelectron dynamics eluded experimental observations. Here we report an experimental investigation of the effect of long-range Coulomb potential on the dynamics of near-zero-momentum photoelectrons produced in photo-ionization process of noble gas atoms in intense midinfrared laser pulses. By exploring the dependence of photoelectron distributions near zero momentum on laser intensity and wavelength, we unambiguously demonstrate that the long-range tail of the Coulomb potential (i.e., up to several hundreds atomic units) plays an important role in determining the photoelectron dynamics after the pulse ends. PMID:27256904

Novel Quantum Criticality in Two Dimensional Topological Phase transitions

PubMed Central

Cho, Gil Young; Moon, Eun-Gook

2016-01-01

Topological quantum phase transitions intrinsically intertwine self-similarity and topology of many-electron wave-functions, and divining them is one of the most significant ways to advance understanding in condensed matter physics. Our focus is to investigate an unconventional class of the transitions between insulators and Dirac semimetals whose description is beyond conventional pseudo relativistic Dirac Hamiltonian. At the transition without the long-range Coulomb interaction, the electronic energy dispersion along one direction behaves like a relativistic particle, linear in momentum, but along the other direction it behaves like a non-relativistic particle, quadratic in momentum. Various physical systems ranging from TiO2-VO2 heterostructure to organic material α-(BEDT-TTF)2I3 under pressure have been proposed to have such anisotropic dispersion relation. Here, we discover a novel quantum criticality at the phase transition by incorporating the long range Coulomb interaction. Unique interplay between the Coulomb interaction and electronic critical modes enforces not only the anisotropic renormalization of the Coulomb interaction but also marginally modified electronic excitation. In connection with experiments, we investigate several striking effects in physical observables of our novel criticality. PMID:26791803

Effect of spin-orbit and on-site Coulomb interactions on the electronic structure and lattice dynamics of uranium monocarbide

NASA Astrophysics Data System (ADS)

Wdowik, U. D.; Piekarz, P.; Legut, D.; Jagło, G.

2016-08-01

Uranium monocarbide, a potential fuel material for the generation IV reactors, is investigated within density functional theory. Its electronic, magnetic, elastic, and phonon properties are analyzed and discussed in terms of spin-orbit interaction and localized versus itinerant behavior of the 5 f electrons. The localization of the 5 f states is tuned by varying the local Coulomb repulsion interaction parameter. We demonstrate that the theoretical electronic structure, elastic constants, phonon dispersions, and their densities of states can reproduce accurately the results of x-ray photoemission and bremsstrahlung isochromat measurements as well as inelastic neutron scattering experiments only when the 5 f states experience the spin-orbit interaction and simultaneously remain partially localized. The partial localization of the 5 f electrons could be represented by a moderate value of the on-site Coulomb interaction parameter of about 2 eV. The results of the present studies indicate that both strong electron correlations and spin-orbit effects are crucial for realistic theoretical description of the ground-state properties of uranium carbide.

Coulomb coupling effects in the gigahertz complex admittance of a quantum R–L circuit

NASA Astrophysics Data System (ADS)

Song, L.; Yin, J. Z.; Chen, S. W.

2018-05-01

We report on the gigahertz admittance measurements of a quantum conductor, i.e. a quantum R–L circuit, to probe the intrinsic dynamic of the conductor. The magnetic field dependence of the admittance phase provides us with an effective way to study the role of Coulomb interaction between counterpropagating edge channels. In addition, there is a small jump in the admittance phase when the transmitted modes are changed. This is because the gate voltage leads to a static potential shift of the quantum channel, then a quantum capacitance related to the density of states of the edge channels are influenced. Our study has made new discoveries of the dynamic transport in a quantum conductor, finding evidence for the deviations from quantum chiral transport associated with Coulomb interactions.

Correlation effects in superconducting quantum dot systems

NASA Astrophysics Data System (ADS)

Pokorný, Vladislav; Žonda, Martin

2018-05-01

We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.

Ab initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak nonlocal screening

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Mertig, I.; Katsnelson, M. I.

2018-01-01

By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method, we study the screening of the Coulomb interaction in NbxCo (1 ≤x ≤9 ) clusters. In addition, these results are compared with pure bcc Nb bulk. We find that for all clusters the on-site Coulomb interaction in RPA is strongly screened, whereas the intersite nonlocal Coulomb interaction is weakly screened and for some clusters it is unscreened or even antiscreened. This is in strong contrast with pure Nb bulk, where the intersite Coulomb interaction is almost completely screened. Furthermore, constrained RPA calculations reveal that the contribution of the Co 3 d → 3 d channel to the total screening of the Co 3 d electrons is small. Moreover, we find that both the on-site and intersite Coulomb interaction parameters decrease in a reasonable approximation linearly with the cluster size and for clusters having more than 20 Nb atoms a transition from 0D to 3D screening is expected to take place.

Magnetically tunable 1D Coulomb drag: Theory

NASA Astrophysics Data System (ADS)

Tylan-Tyler, Anthony; Tang, Yuhe; Levy, Jeremy

In this work, we examine the Coulomb drag effect in 1D nanowires in close proximity, focusing on experimental parameters relevant to complex-oxide nanostructures. Previous work on this problem examined Coulomb drag through quantum point contacts, where effective capacitive coupling between the 2D leads of the system generates the drag voltage. In our case, the entire system is composed of 1D components and thus a more careful treatment of the Coulomb interactions is required. This more complex environment then leads to the ability to switch the drag voltage by an applied magnetic field without altering the current supplied to the drive system. We gratefully acknowledge financial support from ONR N00014-15-1-2847 and DOE DE-SC0014417.

Unified approach to probing Coulomb effects in tunnel ionization for any ellipticity of laser light.

PubMed

Landsman, A S; Hofmann, C; Pfeiffer, A N; Cirelli, C; Keller, U

2013-12-27

We present experimental data that show significant deviations from theoretical predictions for the location of the center of the electron momenta distribution at low values of ellipticity ε of laser light. We show that these deviations are caused by significant Coulomb focusing along the minor axis of polarization, something that is normally neglected in the analysis of electron dynamics, even in cases where the Coulomb correction is otherwise taken into account. By investigating ellipticity-resolved electron momenta distributions in the plane of polarization, we show that Coulomb focusing predominates at lower values of ellipticity of laser light, while Coulomb asymmetry becomes important at higher values, showing that these two complementary phenomena can be used to probe long-range Coulomb interaction at all polarizations of laser light. Our results suggest that both the breakdown of Coulomb focusing and the onset of Coulomb asymmetry are linked to the disappearance of Rydberg states with increasing ellipticity.

A theory of local and global processes which affect solar wind electrons. I - The origin of typical 1 AU velocity distribution functions - Steady state theory

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Olbert, S.

1979-01-01

A kinetic theory for the velocity distribution of solar wind electrons which illustrates the global and local properties of the solar wind expansion is proposed. By means of the Boltzmann equation with the Krook collision operator accounting for Coulomb collisions, it is found that Coulomb collisions determine the population and shape of the electron distribution function in both the thermal and suprathermal energy regimes. For suprathermal electrons, the cumulative effects of Coulomb interactions are shown to take place on the scale of the heliosphere itself, whereas the Coulomb interactions of thermal electrons occur on a local scale near the point of observation (1 AU). The bifurcation of the electron distribution between thermal and suprathermal electrons is localized to the deep solar corona (1 to 10 solar radii).

Nonconventional screening of the Coulomb interaction in FexOy clusters: An ab initio study

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Rossen, S.; Friedrich, C.; Blügel, S.; Katsnelson, M. I.

2017-04-01

From microscopic point-dipole model calculations of the screening of the Coulomb interaction in nonpolar systems by polarizable atoms, it is known that screening strongly depends on dimensionality. For example, in one-dimensional systems, the short-range interaction is screened, while the long-range interaction is antiscreened. This antiscreening is also observed in some zero-dimensional structures, i.e., molecular systems. By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the FLAPW method, we study screening of the Coulomb interaction in FexOy clusters. For completeness, these results are compared with their bulk counterpart magnetite. It appears that the on-site Coulomb interaction is very well screened both in the clusters and bulk. On the other hand, for the intersite Coulomb interaction, the important observation is made that it is almost constant throughout the clusters, while for the bulk it is almost completely screened. More precisely and interestingly, in the clusters antiscreening is observed by means of ab initio calculations.

Velocity statistics for interacting edge dislocations in one dimension from Dyson's Coulomb gas model.

PubMed

Jafarpour, Farshid; Angheluta, Luiza; Goldenfeld, Nigel

2013-10-01

The dynamics of edge dislocations with parallel Burgers vectors, moving in the same slip plane, is mapped onto Dyson's model of a two-dimensional Coulomb gas confined in one dimension. We show that the tail distribution of the velocity of dislocations is power law in form, as a consequence of the pair interaction of nearest neighbors in one dimension. In two dimensions, we show the presence of a pairing phase transition in a system of interacting dislocations with parallel Burgers vectors. The scaling exponent of the velocity distribution at effective temperatures well below this pairing transition temperature can be derived from the nearest-neighbor interaction, while near the transition temperature, the distribution deviates from the form predicted by the nearest-neighbor interaction, suggesting the presence of collective effects.

Pressure dependence of effective Coulomb interaction parameters in BaFe2As2 by first-principle calculation

NASA Astrophysics Data System (ADS)

Aghajani, M.; Hadipour, H.; Akhavan, M.

2018-05-01

Pressure dependence of the onsite Coulomb interactions of the BaFe2As2 has been studied by employing the constrained random phase approximation within first-principle calculations. Analyzing total and projected density of states, a pseudogap is found for dxy band at the energy roughly 0.25 eV higher than the Fermi level. Also, by applying pressure the spectral weight of the dxy orbital vanishes while other orbitals remain metallic. The different screening channels, as discussed in four different models, affect significantly on the Hubbard U while the Hund J remains almost unchanged. The average onsite bare and partially and fully screened Coulomb interactions increase with different rates upon compression. These different rates can be explained by competition between the electronic screening and reduction of bond lengths.

Time-dependent photon heat transport through a mesoscopic Josephson device

NASA Astrophysics Data System (ADS)

Lu, Wen-Ting; Zhao, Hong-Kang

2017-02-01

The time-oscillating photon heat current through a dc voltage biased mesoscopic Josephson Junction (MJJ) has been investigated by employing the nonequilibrium Green's function approach. The Landauer-like formula of photon heat current has been derived in both of the Fourier space and its time-oscillating versions, where Coulomb interaction, self inductance, and magnetic flux take effective roles. Nonlinear behaviors are exhibited in the photon heat current due to the quantum nature of MJJ and applied external dc voltage. The magnitude of heat current decreases with increasing the external bias voltage, and subtle oscillation structures appear as the superposition of different photon heat branches. The overall period of heat current with respect to time is not affected by Coulomb interaction, however, the magnitude and phase of it vary considerably by changing the Coulomb interaction.

Long-range Coulomb interaction effects on the topological phase transitions between semimetals and insulators

NASA Astrophysics Data System (ADS)

Han, SangEun; Moon, Eun-Gook

2018-06-01

Topological states may be protected by a lattice symmetry in a class of topological semimetals. In three spatial dimensions, the Berry flux around gapless excitations in momentum space concretely defines a chirality, so a protecting symmetry may be referred to as a chiral symmetry. Prime examples include a Dirac semimetal (DSM) in a distorted spinel, BiZnSiO4, protected by a mirror symmetry, and a DSM in Na3Bi , protected by a rotational symmetry. In these states, topology and chiral symmetry are intrinsically tied. In this Rapid Communication, the characteristic interplay between a chiral symmetry order parameter and an instantaneous long-range Coulomb interaction is investigated with the standard renormalization group method. We show that a topological transition associated with chiral symmetry is stable under the presence of a Coulomb interaction and the electron velocity always becomes faster than the one of a chiral symmetry order parameter. Thus, the transition must not be relativistic, which implies that supersymmetry is intrinsically forbidden by the long-range Coulomb interaction. Asymptotically exact universal ratios of physical quantities such as the energy gap ratio are obtained, and connections with experiments and recent theoretical proposals are also discussed.

Renormalization of Coulomb interactions in a system of two-dimensional tilted Dirac fermions

NASA Astrophysics Data System (ADS)

Lee, Yu-Wen; Lee, Yu-Li

2018-01-01

We investigate the effects of long-ranged Coulomb interactions in a tilted Dirac semimetal in two dimensions by using the perturbative renormalization-group (RG) method. Depending on the magnitude of the tilting parameter, the undoped system can have either Fermi points (type I) or Fermi lines (type II). Previous studies usually performed the renormalization-group transformations by integrating out the modes with large momenta. This is problematic when the Fermi surface is open, like type-II Dirac fermions. In this work we study the effects of Coulomb interactions, following the spirit of Shankar [Rev. Mod. Phys. 66, 129 (1994), 10.1103/RevModPhys.66.129], by introducing a cutoff in the energy scale around the Fermi surface and integrating out the high-energy modes. For type-I Dirac fermions, our result is consistent with that of the previous work. On the other hand, we find that for type-II Dirac fermions, the magnitude of the tilting parameter increases monotonically with lowering energies. This implies the stability of type-II Dirac fermions in the presence of Coulomb interactions, in contrast with previous results. Furthermore, for type-II Dirac fermions, the velocities in different directions acquire different renormalization even if they have the same bare values. By taking into account the renormalization of the tilting parameter and the velocities due to the Coulomb interactions, we show that while the presence of a charged impurity leads only to charge redistribution around the impurity for type-I Dirac fermions, for type-II Dirac fermions, the impurity charge is completely screened, albeit with a very long screening length. The latter indicates that the temperature dependence of physical observables are essentially determined by the RG equations we derived. We illustrate this by calculating the temperature dependence of the compressibility and specific heat of the interacting tilted Dirac fermions.

Ordered phases in the Holstein-Hubbard model: Interplay of strong Coulomb interaction and electron-phonon coupling

NASA Astrophysics Data System (ADS)

Murakami, Yuta; Werner, Philipp; Tsuji, Naoto; Aoki, Hideo

2013-09-01

We study the Holstein-Hubbard model at half filling to explore ordered phases including superconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (comparable to the electronic bandwidth). The model is solved in the dynamical mean-field approximation with a continuous-time quantum Monte Carlo impurity solver. We determine the superconducting transition temperature Tc and the SC order parameter and show that the phonon-induced retardation or the strong Coulomb interaction leads to a significant reduction and shift of the Tc dome against the effective electron-electron interaction Ueff given by the Hubbard U reduced by the phonon-mediated attraction in the static limit. This behavior is analyzed by comparison to an effective static model in the polaron representation with a renormalized bandwidth. In addition, we discuss the superconducting gap Δ and 2Δ/Tc to reveal the effect of the retardation and the Coulomb interaction. We also determine the finite-temperature phase diagram including AF and CO. In the moderate-coupling regime, there is a hysteretic region of AF and CO around Ueff=0, while the two phases are separated by a paramagnetic metal in the weak-coupling regime and a paramagnetic insulator in the strong-coupling regime.

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

Effect of exact Coulomb-exchange calculations on band-head spectra of odd-proton nuclei

NASA Astrophysics Data System (ADS)

Koh, Meng-Hock; Nurhafiza, Mohamad Nor

2017-10-01

Previous calculations of band-head energy spectra of odd-mass heavy nuclei in the Hartree-Fock-plus-Bardeen-Cooper-Schrieffer (HF-BCS) framework showed that the agreement with data is better for odd-neutron as compared to odd-proton nuclei. The reason for a poorer agreement with data for the latter have been ascribed to the possible usage of the Slater approximation in calculating the Coulomb-exchange term. In this work, we report the effect of exact Coulomb-exchange calculations on band-head energy spectra of two odd-proton nuclei (namely 237Np and 241Am) as compared to the results obtained using the Slater approximation. We performed self-consistent blocking calculations while taking the breaking of time-reversal symmetry at the mean-field level into account due to the unpaired nucleon. The SkM* and SIII parametrizations of the Skyrme interaction have been employed to approximate the effective nucleon-nucleon interaction while a seniority force is used for the pairing channel. Contrary to what was expected, our preliminary results show no improvement on the band-head spectra as compared to data when the Coulomb-exchange term is calculated exactly.

Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects.

PubMed

Ren, Ji-Chang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Zejun; Van Hove, Michel A

2015-11-11

It is well known that the effect of Coulomb on-site repulsion can significantly alter the physical properties of the systems that contain localized d and/or f electrons. However, little attention has been paid to the Coulomb on-site repulsion between localized p electrons. In this study, we demonstrated that Coulomb on-site repulsion between localized pz electrons also plays an important role in graphene embedded with line defects. It is shown that the magnetism of the system largely depends on the choice of the effective Coulomb on-site parameter Ueff. Ueff at the edges of the defect enhances the exchange splitting, which increases the magnetic moment and stabilizes a ferromagnetic state of the system. In contrast, Ueff at the center of the defect weakens the spin polarization of the system. The behavior of the magnetism is explained with the Stoner criterion and the charge accumulation at the edges of the defect. Based on the linear response approach, we estimate reasonable values of Ueff to be 2.55 eV (2.3 eV) at the center (edges) of the defects. More importantly, using a DFT+U+J method, we find that exchange interactions between localized p electrons also play an important role in the spin polarization of the system. These results imply that Coulomb on-site repulsion is necessary to describe the strong interaction between localized pz electrons of carbon related materials.

Lorentz-violating contributions to the nuclear Schiff moment and nuclear EDM

NASA Astrophysics Data System (ADS)

Araujo, Jonas B.; Casana, Rodolfo; Ferreira, Manoel M.

2018-03-01

In the context of an atom endowed with nuclear electric dipole moments (EDM), we consider the effects on the Schiff moment of C P T -even Lorentz-violating (LV) terms that modify the Coulomb potential. First, we study the modifications on the Schiff moment when the nucleus interacts with the electronic cloud by means of a Coulomb potential altered only by the P -even LV components. Next, by supposing the existence of an additional intrinsic LV EDM generated by other LV sources, we assess the corrections to the Schiff moment when the interaction nucleus-electrons runs mediated by a Coulomb potential modified by both the P -odd and P -even LV components. We then use known estimates and EDM measurements to discuss upper bounds on the new Schiff moment components and the possibility of a nuclear EDM component ascribed to LV effects.

Critical behavior in graphene with Coulomb interactions.

PubMed

Wang, Jianhui; Fertig, H A; Murthy, Ganpathy

2010-05-07

We demonstrate that, in the presence of Coulomb interactions, electrons in graphene behave like a critical system, supporting power law correlations with interaction-dependent exponents. An asymptotic analysis shows that the origin of this behavior lies in particle-hole scattering, for which the Coulomb interaction induces anomalously close approaches. With increasing interaction strength the relevant power law changes from real to complex, leading to an unusual instability characterized by a complex-valued susceptibility in the thermodynamic limit. Measurable quantities, as well as the connection to classical two-dimensional systems, are discussed.

Time-dependent photon heat transport through a mesoscopic Josephson device

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Wen-Ting; Zhao, Hong-Kang, E-mail: zhaohonk@bit.edu.cn

The time-oscillating photon heat current through a dc voltage biased mesoscopic Josephson Junction (MJJ) has been investigated by employing the nonequilibrium Green’s function approach. The Landauer-like formula of photon heat current has been derived in both of the Fourier space and its time-oscillating versions, where Coulomb interaction, self inductance, and magnetic flux take effective roles. Nonlinear behaviors are exhibited in the photon heat current due to the quantum nature of MJJ and applied external dc voltage. The magnitude of heat current decreases with increasing the external bias voltage, and subtle oscillation structures appear as the superposition of different photon heatmore » branches. The overall period of heat current with respect to time is not affected by Coulomb interaction, however, the magnitude and phase of it vary considerably by changing the Coulomb interaction. - Highlights: • The time-oscillating photon heat current through a mesoscopic Josephson Junction has been investigated. • The Landauer-like formula of photon heat current has been derived by the nonequilibrium Green’s function approach. • Nonlinear behaviors are exhibited in the photon heat current resulting from the self inductance and Coulomb interaction. • The oscillation structure of heat current is composed of the superposition of oscillations with different periods.« less

Higgs transition from a magnetic Coulomb liquid to a ferromagnet in Yb₂Ti₂O₇.

PubMed

Chang, Lieh-Jeng; Onoda, Shigeki; Su, Yixi; Kao, Ying-Jer; Tsuei, Ku-Ding; Yasui, Yukio; Kakurai, Kazuhisa; Lees, Martin Richard

2012-01-01

In a class of frustrated magnets known as spin ice, magnetic monopoles emerge as classical defects and interact via the magnetic Coulomb law. With quantum-mechanical interactions, these magnetic charges are carried by fractionalized bosonic quasi-particles, spinons, which can undergo Bose-Einstein condensation through a first-order transition via the Higgs mechanism. Here, we report evidence of a Higgs transition from a magnetic Coulomb liquid to a ferromagnet in single-crystal Yb(2)Ti(2)O(7). Polarized neutron scattering experiments show that the diffuse [111]-rod scattering and pinch-point features, which develop on cooling are suddenly suppressed below T(C)~0.21 K, where magnetic Bragg peaks and a full depolarization of the neutron spins are observed with thermal hysteresis, indicating a first-order ferromagnetic transition. Our results are explained on the basis of a quantum spin-ice model, whose high-temperature phase is effectively described as a magnetic Coulomb liquid, whereas the ground state shows a nearly collinear ferromagnetism with gapped spin excitations.

Helium like impurity in CdTe/ Cd1-xMnxTe semimagnetic semiconductors under magnetic field: Dimensionality effect on electron - Electron interaction

NASA Astrophysics Data System (ADS)

Kalpana, Panneer Selvam; Jayakumar, Kalyanasundaram

2017-11-01

We study the effect of magnetic field on the Coulomb interaction between the two electrons confined inside a CdTe/Cd1-xMnxTe Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD) for the composition of Mn2+ ion, x = 0.3. The two particle Schrodinger equation has been solved using variational technique in the effective mass approximation. The results show that the applied magnetic field tremendously alters the Coulomb interaction of the electrons and their binding to the donor impurity by shrinking the spatial extension of the two particle wavefunction and leads to tunnelling through the barrier. The qualitative phenomenon involved in such variation of electron - electron interaction with the magnetic field has also been explained through the 3D - plot of the probability density function.

Coulombic interactions on the deposition and rotational mobility distributions of dyes in polyelectrolyte multilayer thin films.

PubMed

Li, Ye; Yip, Wai Tak

2004-12-07

We employed negatively charged fluorescein (FL), positively charged rhodamine 6G (R6G), and neutral Nile Red (NR) as molecular probes to investigate the influence of Coulombic interaction on their deposition into and rotational mobility inside polyelectrolyte multilayer (PEM) films. The entrapment efficiency of the dyes reveals that while Coulombic repulsion has little effect on dye deposition, Coulombic attraction can dramatically enhance the loading efficiency of dyes into a PEM film. By monitoring the emission polarization of single dye molecules in polyethylenimine (PEI) films, the percentages of mobile R6G, NR, and FL were determined to be 87 +/- 4%, 76 +/- 5%, and 68 +/- 3%, respectively. These mobility distributions suggest that cationic R6G enjoys the highest degree of rotational freedom, whereas anionic FL shows the least mobility because of Coulombic attraction toward cationic PEI. Regardless of charges, this high percentage of mobile molecules is in stark contrast to the 5-40% probe mobility reported from spun-cast polymer films, indicating that our PEI films contain more free volume and display richer polymer dynamics. These observations demonstrate the potential of using isolated fluorescent probes to interrogate the internal structure of a PEM film at a microscopic level.

Stopping and Coulomb explosion of energetic carbon clusters in a plasma irradiated by an intense laser field

NASA Astrophysics Data System (ADS)

Wang, Guiqiu; Wang, Younian

2015-09-01

The interaction of a charged particle beam with a plasma is a very important subject of relevance for many fields of physics, such as inertial confinement fusion (ICF) driven by ion or electron beams, high energy density physics, and related astrophysical problems. Recently, a promising ICF scheme has been proposed, in which the plasma target is irradiated simultaneously by intense laser and ion beams. For molecular ion or cluster, slowing down process will company the Coulomb explosion phenomenon. In this paper, we present a study of the effects of intense radiation field (RF) on the interaction of energetic carbon clusters in a plasma. The emphasis is laid on the dynamic polarization and correlation effects of the constituent ions within the cluster in order to disclose the role of the vicinage effects on the Coulomb explosion and energy deposition of the clusters in plasma. On the other hand, affecting of a strong laser field on the cluster propagating in plasma is considered, the influence of a large range of laser parameters and plasma parameters on the Coulomb explosion and stopping power are discussed. This work is supported by the National Natural Science Foundation of China (11375034), and the Fundamental Research Funds for the Central Universities of China (3132015144, 3132014337).

Electronic correlation effects and the Coulomb gap at finite temperature.

PubMed

Sandow, B; Gloos, K; Rentzsch, R; Ionov, A N; Schirmacher, W

2001-02-26

We have investigated the effect of the long-range Coulomb interaction on the one-particle excitation spectrum of n-type germanium, using tunneling spectroscopy on mechanically controllable break junctions. At low temperatures, the tunnel conductance shows a minimum at zero bias voltage due to the Coulomb gap. Above 1 K, the gap is filled by thermal excitations. This behavior is reflected in the variable-range hopping resistivity measured on the same samples: up to a few degrees Kelvin the Efros-Shklovskii lnR infinity T(-1/2) law is obeyed, whereas at higher temperatures deviations from this law occur. The type of crossover differs from that considered previously in the literature.

Measured Correlated Motion of theThree Body Coulomb Interacting System H^+ + H^+ + H^-

NASA Astrophysics Data System (ADS)

Wiese, L. M.

1998-05-01

The problem of three bodies interacting through a 1/r potential is a fundamental problem of physics. While its longstanding fame stems from its application to celestial mechanics, in atomic physics its importance arises from application to Coulomb-interacting systems, in which all three bodies carry some net charge. Because the three bodies interact through long range Coulomb forces over their entire path, their motion can be highly correlated. The effect of the interaction among the three bodies and any resulting correlated motion is reflected in how the available energy is ultimately shared among the three particles. By experimentally determining the energy sharing in a three body system, we can gain insight into the interactions governing the system. For the three body Coulomb interacting system of H^+ + H^+ + H^-, we have measured the partitioning of available center of mass (c.m.) energy among the particles when the system is in a near collinear configuration. By colliding 4 keV H_3^+ with a He target gas cell, we produce the H^+ + H^+ + H^- system a few eV above the dissociative limit. All three fragments are laboratory energy and angle resolved. By detecting all three in triple coincidence, we determine unambiguously the final state dynamics for each triply coincident event. Transforming our results to the c.m. frame, we determine the partitioning of available energy among the three particles. We have modified the Dalitz plot of high energy physics to elucidate correlations in the motion of any three body atomic system. Correlated motion in the H^+ + H^+ + H^- system is indicated by a nonuniform distribution on the Dalitz plot. For the near collinear breakup of H_3^+, we have observed the H^- to reside anywhere between the two H^+, from the Coulomb saddle point to the near vicinity of a proton. This work is supported by NSF Grant Number 9419505.

On the Klein–Gordon oscillator subject to a Coulomb-type potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bakke, K., E-mail: kbakke@fisica.ufpb.br; Furtado, C., E-mail: furtado@fisica.ufpb.br

2015-04-15

By introducing the scalar potential as modification in the mass term of the Klein–Gordon equation, the influence of a Coulomb-type potential on the Klein–Gordon oscillator is investigated. Relativistic bound states solutions are achieved to both attractive and repulsive Coulomb-type potentials and the arising of a quantum effect characterized by the dependence of angular frequency of the Klein–Gordon oscillator on the quantum numbers of the system is shown. - Highlights: • Interaction between the Klein–Gordon oscillator and a modified mass term. • Relativistic bound states for both attractive and repulsive Coulomb-type potentials. • Dependence of the Klein–Gordon oscillator frequency on themore » quantum numbers. • Relativistic analogue of a position-dependent mass system.« less

Frictional Magneto-Coulomb Drag in Graphene Double-Layer Heterostructures.

PubMed

Liu, Xiaomeng; Wang, Lei; Fong, Kin Chung; Gao, Yuanda; Maher, Patrick; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Dean, Cory; Kim, Philip

2017-08-04

Coulomb interaction between two closely spaced parallel layers of conductors can generate the frictional drag effect by interlayer Coulomb scattering. Employing graphene double layers separated by few-layer hexagonal boron nitride, we investigate density tunable magneto- and Hall drag under strong magnetic fields. The observed large magnetodrag and Hall-drag signals can be related with Laudau level filling status of the drive and drag layers. We find that the sign and magnitude of the drag resistivity tensor can be quantitatively correlated to the variation of magnetoresistivity tensors in the drive and drag layers, confirming a theoretical formula for magnetodrag in the quantum Hall regime. The observed weak temperature dependence and ∼B^{2} dependence of the magnetodrag are qualitatively explained by Coulomb scattering phase-space argument.

Electrostatic screening in classical Coulomb fluids: exponential or power-law decay or both? An investigation into the effect of dispersion interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2006-04-01

It is shown that the nature of the non-electrostatic part of the pair interaction potential in classical Coulomb fluids can have a profound influence on the screening behaviour. Two cases are compared: (i) when the non-electrostatic part equals an arbitrary finite-ranged interaction and (ii) when a dispersion r-6 interaction potential is included. A formal analysis is done in exact statistical mechanics, including an investigation of the bridge function. It is found that the Coulombic r-1 and the dispersion r-6 potentials are coupled in a very intricate manner as regards the screening behaviour. The classical one-component plasma (OCP) is a particularly clear example due to its simplicity and is investigated in detail. When the dispersion r-6 potential is turned on, the screened electrostatic potential from a particle goes from a monotonic exponential decay, exp(-κr)/r, to a power-law decay, r-8, for large r. The pair distribution function acquire, at the same time, an r-10 decay for large r instead of the exponential one. There still remains exponentially decaying contributions to both functions, but these contributions turn oscillatory when the r-6 interaction is switched on. When the Coulomb interaction is turned off but the dispersion r-6 pair potential is kept, the decay of the pair distribution function for large r goes over from the r-10 to an r-6 behaviour, which is the normal one for fluids of electroneutral particles with dispersion interactions. Differences and similarities compared to binary electrolytes are pointed out.

Surface stress induced by interactions of adsorbates and its effect on deformation and frequency of microcantilever sensors

NASA Astrophysics Data System (ADS)

Yi, X.; Duan, H. L.

2009-08-01

Surface stress is widely used to characterize the adsorption effect on the mechanical response of nanomaterials and nanodevices. However, quantitative relations between continuum-level descriptions of surface stress and molecular-level descriptions of adsorbate interactions are not well established. In this paper, we first obtain the relations between the adsorption-induced surface stress and the van der Waals and Coulomb interactions in terms of the physical and chemical interactions between adsorbates and solid surfaces. Then, we present a theoretical framework to predict the deflection and resonance frequencies of microcantilevers with the simultaneous effects of the eigenstrain, surface stress and adsorption mass. Finally, the adsorption-induced deflection and resonance frequency shift of microcantilevers are numerically analyzed for the van der Waals and Coulomb interactions. The present theoretical framework quantifies the mechanisms of the adsorption-induced surface stress, and thus provides guidelines to the analysis of the sensitivities, and the identification of the detected substance in the design and application of micro- and nanocantilever sensors.

Electron correlation by polarization of interacting densities

NASA Astrophysics Data System (ADS)

Whitten, Jerry L.

2017-02-01

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize dynamically, thereby reducing the magnitude of the interaction. Exchange integrals of molecular orbitals are not correlated. The modified Coulomb interactions are used in single-determinant or configuration interaction calculations. The objective is to account for dynamical correlation effects without explicitly introducing higher spherical harmonic functions into the molecular orbital basis. Molecular orbital densities are decomposed into a distribution of spherical components that conserve the charge and each of the interacting components is considered as a two-electron wavefunction embedded in the system acted on by an average field Hamiltonian plus r12-1. A method of avoiding redundancy is described. Applications to atoms, negative ions, and molecules representing different types of bonding and spin states are discussed.

Examining the role of Coulomb static stress transfer in injection-induced seismicity: a generic modeling approach

NASA Astrophysics Data System (ADS)

Brown, M. R. M.; Ge, S.

2017-12-01

Increased pore pressure decreasing the effective stress on a critically stressed fault has been the accepted mechanism for injection-induced seismicity. This, however, is an over simplified approach that does not take into account the coupled hydro-mechanical effects. In addition, this approach leaves out a possible key stressor in the system, the earthquakes. Earthquakes are known to interact with each other by Coulomb static stress transfer, the process of permanent stress change caused by movement on a fault. In areas of induced seismicity, many small to moderate earthquakes can occur adding to the stress in the system via Coulomb static stress transfer. Here we ask: Is the Coulomb static stress transfer from the earthquakes as important as the pore pressure increase or stress changes caused by coupled hydro-mechanical processes? Is there a point where the Coulomb static stress transfer from the earthquakes becomes the controlling process for inducing future earthquakes? How does the effect of many small earthquakes compare to a few larger events in terms of Coulomb static stress transfer? In this study, we use hydrologic and coupled hydro-mechanical models and USGS Coulomb 3 to assess the importance of induced earthquakes in terms of the stress change in the system. Realistic scenarios of wastewater injection and earthquake magnitude-frequency distributions are used to develop generic models. Model variables and data are varied to evaluate the range of possible outcomes. Preliminary results show that the stress change associated with injection is of the same order of magnitude as the cumulative Coulomb static stress change of a series of small (1

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

NASA Astrophysics Data System (ADS)

Xie, L. Y.; Wang, J. G.; Janev, R. K.

2014-06-01

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl →ɛ,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels. The relativistic effects are studied in the photoionization of Fe25+ ion, as an example.

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, L. Y.; Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009-26, Beijing 100088; Wang, J. G.

2014-06-15

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl→ε,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels.more » The relativistic effects are studied in the photoionization of Fe{sup 25+} ion, as an example.« less

A 667 year record of coseismic and interseismic Coulomb stress changes in central Italy reveals the role of fault interaction in controlling irregular earthquake recurrence intervals

NASA Astrophysics Data System (ADS)

Wedmore, L. N. J.; Faure Walker, J. P.; Roberts, G. P.; Sammonds, P. R.; McCaffrey, K. J. W.; Cowie, P. A.

2017-07-01

Current studies of fault interaction lack sufficiently long earthquake records and measurements of fault slip rates over multiple seismic cycles to fully investigate the effects of interseismic loading and coseismic stress changes on the surrounding fault network. We model elastic interactions between 97 faults from 30 earthquakes since 1349 A.D. in central Italy to investigate the relative importance of co-seismic stress changes versus interseismic stress accumulation for earthquake occurrence and fault interaction. This region has an exceptionally long, 667 year record of historical earthquakes and detailed constraints on the locations and slip rates of its active normal faults. Of 21 earthquakes since 1654, 20 events occurred on faults where combined coseismic and interseismic loading stresses were positive even though 20% of all faults are in "stress shadows" at any one time. Furthermore, the Coulomb stress on the faults that experience earthquakes is statistically different from a random sequence of earthquakes in the region. We show how coseismic Coulomb stress changes can alter earthquake interevent times by 103 years, and fault length controls the intensity of this effect. Static Coulomb stress changes cause greater interevent perturbations on shorter faults in areas characterized by lower strain (or slip) rates. The exceptional duration and number of earthquakes we model enable us to demonstrate the importance of combining long earthquake records with detailed knowledge of fault geometries, slip rates, and kinematics to understand the impact of stress changes in complex networks of active faults.

Stability of Dirac Liquids with Strong Coulomb Interaction.

PubMed

Tupitsyn, Igor S; Prokof'ev, Nikolay V

2017-01-13

We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln(L)∼40), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T=0 state with divergent Fermi velocity.

Optical probing of quantum Hall effect of composite fermions and of the liquid-insulator transition

NASA Astrophysics Data System (ADS)

Rossella, F.; Bellani, V.; Dionigi, F.; Amado, M.; Diez, E.; Kowalik, K.; Biasiol, G.; Sorba, L.

2011-12-01

In the photoluminescence spectra of a two-dimensional electron gas in the fractional quantum Hall regime we observe the states at filling factors ν = 4/5, 5/7, 4/11 and 3/8 as clear minima in the intensity or area emission peak. The first three states are described as interacting composite fermions in fractional quantum Hall regime. The minimum in the intensity at ν = 3/8, which is not explained within this picture, can be an evidence of a suppression of the screening of the Coulomb interaction among the effective quasi-particles involved in this intriguing state. The magnetic field energy dispersion at very low temperatures is also discussed. At low field the emission follows a Landau dispersion with a screened magneto-Coulomb contribution. At intermediate fields the hidden symmetry manifests. At high field above ν = 1/3 the electrons correlate into an insulating phase, and the optical emission behaviour at the liquid-insulator transition is coherent with a charge ordering driven by Coulomb correlations.

Incoherent radar spectra in the auroral ionosphere in the presence of a large electric field: The effect of O+-O+ Coulomb collisions

NASA Astrophysics Data System (ADS)

Barghouthi, I. A.

2005-06-01

We have used Monte Carlo simulations of O+ velocity distributions in the high latitude F- region to improve the calculation of incoherent radar spectra in auroral ionosphere. The Monte Carlo simulation includes ionneutral, O+-O collisions (resonant charge exchange and polarization interaction) as well as O+-O+ Coulomb self-collisions. At high altitudes, atomic oxygen O and atomic oxygen ion O+ dominate the composition of the auroral ionosphere and consequently, the influence of O+-O+ Coulomb collisions becomes significant. In this study we consider the effect of O+-O+ Coulomb collisions on the incoherent radar spectra in the presence of large electric field (100 mVm-1). As altitude increases (i.e. the ion-to-neutral density ratio increases) the role of O+-O+ Coulomb self-collisions becomes significant, therefore, the one-dimensional, 1-D, O+ ion velocity distribution function becomes more Maxwellian and the features of the radar spectrum corresponding to non-Maxwellian ion velocity distribution (e.g. baby bottle and triple hump shapes) evolve to Maxwellian ion velocity distribution (single and double hump shapes). Therefore, O+-O+ Coulomb self-collisions act to isotropize the 1-D O+ velocity distribution by transferring thermal energy from the perpendicular direction to the parallel direction, however the convection electric field acts to drive the O+ ions away from equilibrium and consequently, non-Maxwellian O+ ion velocity distributions appeared. Therefore, neglecting O+-O+ Coulomb self-collisions overestimates the effect of convection electric field.

Giant plasmonic energy and momentum transfer on the nanoscale

NASA Astrophysics Data System (ADS)

Durach, Maxim

We have developed a general theory of the plasmonic enhancement of many-body phenomena resulting in a closed expression for the surface plasmon-dressed Coulomb interaction. It is shown that this interaction has a resonant nature. We have also demonstrated that renormalized interaction is a long-ranged interaction whose intensity is considerably increased compared to bare Coulomb interaction over the entire region near the plasmonic nanostructure. We illustrate this theory by re-deriving the mirror charge potential near a metal sphere as well as the quasistatic potential behind the so-called perfect lens at the surface plasmon (SP) frequency. The dressed interaction for an important example of a metal--dielectric nanoshell is also explicitly calculated and analyzed. The renormalization and plasmonic enhancement of the Coulomb interaction is a universal effect, which affects a wide range of many-body phenomena in the vicinity of metal nanostructures: chemical reactions, scattering between charge carriers, exciton formation, Auger recombination, carrier multiplication, etc. We have described the nanoplasmonic-enhanced Forster resonant energy transfer (FRET) between quantum dots near a metal nanoshell. It is shown that this process is very efficient near high-aspect-ratio nanoshells. We have also obtained a general expression for the force exerted by an electromagnetic field on an extended polarizable object. This expression is applicable to a wide range of situations important for nanotechnology. Most importantly, this result is of fundamental importance for processes involving interaction of nanoplasmonic fields with metal electrons. Using the obtained expression for the force, we have described a giant surface-plasmon-induced drag-effect rectification (SPIDER), which exists under conditions of the extreme nanoplasmonic confinement. Under realistic conditions in nanowires, this giant SPIDER generates rectified THz potential differences up to 10V and extremely strong electric fields up to 105--10 6 V/cm. It can serve as a powerful nanoscale source of THz radiation. The giant SPIDER opens up a new field of ultraintense THz nanooptics with wide potential applications in nanotechnology and nanoscience, including microelectronics, nanoplasmonics, and biomedicine. Additionally, the SPIDER is an ultrafast effect whose bandwidth for nanometric wires is 20 THz, which allows for detection of femtosecond pulses on the nanoscale. INDEX WORDS: Nanoplasmonics, Nanoplasmonic renormalization of Coulomb interaction, Surface-plasmon enhanced Forster energy transfer (FRET), Surface-plasmon-induced drag-effect rectification (SPIDER), Nanotechnology, Plasmonics on the nanoscale, Localized surface plasmons (LSPs), Surface plasmon polaritons (SPPs)

Ultraviolet absorption spectrum of the half-filled bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-07-01

We consider the optical properties of the half-filled AB-stacked bilayer graphene with the excitonic pairing and condensation between the layers. Both intra and interlayer local Coulomb interaction effects have been taken into account and the role of the exact Fermi energy has been discussed in details. We have calculated the absorption coefficient, refractive index, dielectric response functions and the electron energy loss spectrum for different interlayer Coulomb interaction regimes and for different temperatures. Considering the full four-band model for the interacting AB bilayer graphene, a good agreement is achieved with other theoretical and experimental works on the subject, in particular, limiting cases of the theory. The calculations, presented here, permit to estimate accurately the effects of excitonic pairing and condensation on the optical properties of the bilayer graphene. The modifications of the plasmon excitation spectrum are discussed in details for a very large interval of the interlayer interaction parameter.

High-T C superconductivity in Cs3C60 compounds governed by local Cs-C60 Coulomb interactions

NASA Astrophysics Data System (ADS)

Harshman, Dale R.; Fiory, Anthony T.

2017-04-01

Unique among alkali-doped A 3C60 fullerene compounds, the A15 and fcc forms of Cs3C60 exhibit superconducting states varying under hydrostatic pressure with highest transition temperatures at T\\text{C}\\text{meas}   =  38.3 and 35.2 K, respectively. Herein it is argued that these two compounds under pressure represent the optimal materials of the A 3C60 family, and that the C60-associated superconductivity is mediated through Coulombic interactions with charges on the alkalis. A derivation of the interlayer Coulombic pairing model of high-T C superconductivity employing non-planar geometry is introduced, generalizing the picture of two interacting layers to an interaction between charge reservoirs located on the C60 and alkali ions. The optimal transition temperature follows the algebraic expression, T C0  =  (12.474 nm2 K)/ℓζ, where ℓ relates to the mean spacing between interacting surface charges on the C60 and ζ is the average radial distance between the C60 surface and the neighboring Cs ions. Values of T C0 for the measured cation stoichiometries of Cs3-x C60 with x  ≈  0 are found to be 38.19 and 36.88 K for the A15 and fcc forms, respectively, with the dichotomy in transition temperature reflecting the larger ζ and structural disorder in the fcc form. In the A15 form, modeled interacting charges and Coulomb potential e2/ζ are shown to agree quantitatively with findings from nuclear-spin relaxation and mid-infrared optical conductivity. In the fcc form, suppression of T\\text{C}\\text{meas} below T C0 is ascribed to native structural disorder. Phononic effects in conjunction with Coulombic pairing are discussed.

Ionic fluids with r-6 pair interactions have power-law electrostatic screening

NASA Astrophysics Data System (ADS)

Kjellander, Roland; Forsberg, Björn

2005-06-01

The decay behaviour of radial distribution functions for large distances r is investigated for classical Coulomb fluids where the ions interact with an r-6 potential (e.g. a dispersion interaction) in addition to the Coulombic and the short-range repulsive potentials (e.g. a hard core). The pair distributions and the density-density (NN), charge-density (QN) and charge-charge (QQ) correlation functions are investigated analytically and by Monte Carlo simulations. It is found that the NN correlation function ultimately decays like r-6 for large r, just as it does for fluids of electroneutral particles interacting with an r-6 potential. The prefactor is proportional to the squared compressibility in both cases. The QN correlations decay in general like r-8 and the QQ correlations like r-10 in the ionic fluid. The average charge density around an ion decays generally like r-8 and the average electrostatic potential like r-6. This behaviour is in stark contrast to the decay behaviour for classical Coulomb fluids in the absence of the r-6 potential, where all these functions decay exponentially for large r. The power-law decays are, however, the same as for quantum Coulomb fluids. This indicates that the inclusion of the dispersion interaction as an effective r-6 interaction potential in classical systems yields the same decay behaviour for the pair correlations as in quantum ionic systems. An exceptional case is the completely symmetric binary electrolyte for which only the NN correlation has a power-law decay but not the QQ correlations. These features are shown by an analysis of the bridge function.

Higgs transition from a magnetic Coulomb liquid to a ferromagnet in Yb2Ti2O7

PubMed Central

Chang, Lieh-Jeng; Onoda, Shigeki; Su, Yixi; Kao, Ying-Jer; Tsuei, Ku-Ding; Yasui, Yukio; Kakurai, Kazuhisa; Lees, Martin Richard

2012-01-01

In a class of frustrated magnets known as spin ice, magnetic monopoles emerge as classical defects and interact via the magnetic Coulomb law. With quantum-mechanical interactions, these magnetic charges are carried by fractionalized bosonic quasi-particles, spinons, which can undergo Bose–Einstein condensation through a first-order transition via the Higgs mechanism. Here, we report evidence of a Higgs transition from a magnetic Coulomb liquid to a ferromagnet in single-crystal Yb2Ti2O7. Polarized neutron scattering experiments show that the diffuse [111]-rod scattering and pinch-point features, which develop on cooling are suddenly suppressed below TC~0.21 K, where magnetic Bragg peaks and a full depolarization of the neutron spins are observed with thermal hysteresis, indicating a first-order ferromagnetic transition. Our results are explained on the basis of a quantum spin-ice model, whose high-temperature phase is effectively described as a magnetic Coulomb liquid, whereas the ground state shows a nearly collinear ferromagnetism with gapped spin excitations. PMID:22871811

Comparison of the effect of soft-core potentials and Coulombic potentials on bremsstrahlung during laser matter interaction

NASA Astrophysics Data System (ADS)

Pandit, Rishi R.; Becker, Valerie R.; Barrington, Kasey; Thurston, Jeremy; Ramunno, Lora; Ackad, Edward

2018-04-01

An intense, short laser pulse incident on rare-gas clusters can produce nano-plasmas containing energetic electrons. As these electrons undergo scattering, from both phonons and ions, they emit bremsstrahlung radiation. Here, we compare a theory of bremsstrahlung emission appropriate for the interaction of intense lasers with matter using soft-core potentials and Coulombic potentials. A new scaling for the radiation cross-section and the radiated power via bremsstrahlung is derived for a soft-core potential (which depends on the potential depth) and compared with the Coulomb potential. Calculations using the new scaling are performed for electrons in vacuum ultraviolet, infrared and mid-infrared laser pulses. The radiation cross-section and the radiation power via bremsstrahlung are found to increase rapidly with increases in the potential depth of up to around 200 eV and then become mostly saturated for larger depths while remaining constant for the Coulomb potential. In both cases, the radiation cross-section and the radiation power of bremsstrahlung decrease with increases in the laser wavelength. The ratio of the scattering amplitude for the soft-core potential and that for the Coulombic potential decreases exponentially with an increase in momentum transfer. The bremsstrahlung emission by electrons in plasmas may provide a broadband light source for diagnostics.

Extended Glauber Model of Antiproton-Nucleus Annihilation for All Energies and Mass Numbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Teck-Ghee; Wong, Cheuk-Yin

2014-01-01

Previous analytical formulas in the Glauber model for high-energy nucleus-nucleus collisions developed by Wong are utilized and extended to study Antiproton-nucleus annihilations for both high and low energies, after taking into account the effects of Coulomb and nuclear interactions, and the change of the antiproton momentum inside a nucleus. The extended analytical formulas capture the main features of the experimental antiproton-nucleus annihilation cross sections for all energies and mass numbers. At high antiproton energies, they exhibit the granular property for the lightest nuclei and the black-disk limit for the heavy nuclei. At low antiproton energies, they display the effect ofmore » the antiproton momentum increase due to the nuclear interaction for the light nuclei, and the effect of the magnification due to the attractive Coulomb interaction for the heavy nuclei.« less

Coulombic interactions during advection-dominated transport of ions in porous media

NASA Astrophysics Data System (ADS)

Muniruzzaman, Muhammad; Stolze, Lucien; Rolle, Massimo

2017-04-01

Solute transport of charged species in porous media is significantly affected by the electrochemical migration term resulting from the charge-induced interactions among dissolved ions and with solid surfaces. Therefore, the characterization of such Coulombic interactions and their effect on multicomponent ionic transport is of critical importance for assessing the fate of charged solutes in porous media. In this work we present a detailed investigation of the electrochemical effects during conservative multicomponent ionic transport in homogeneous and heterogeneous domains by means of laboratory bench-scale experiments and numerical simulations. The investigation aims at quantifying the key role of small-scale electrostatic interactions in flow-through systems, especially when advection is the dominant mass-transfer process. Considering dilute solutions of strong electrolytes (e.g., MgCl2 and NaBr) we report results showing the important role of Coulombic interactions in the lateral displacement of the different ionic species for steady-state transport scenarios in which the solutions are continuously injected through different portions of the flow-through chamber [1, 2]. Successively, we focus our attention on transient transport and pulse injection of the electrolytes. In these experiments high-resolution spatial and temporal monitoring of the ions' concentrations (600 samples; 1800 concentration measurements), at closely spaced outlet ports (5 mm), allowed us resolving the effects of charge interactions on the temporal breakthrough and spatial profiles of the cations and anions [3]. The interpretation of the experimental results requires a multicomponent modeling approach with an accurate description of local hydrodynamic dispersion, as well as the explicit quantification of the dispersive fluxes' cross-coupling due to the Coulombic interactions between the charged species. A new 2-D simulator [4], coupling the solution of the multicomponent ionic transport problem with the geochemical code PHREEQC has been developed and used to quantitatively interpret the experimental results. References [1] Rolle M., Muniruzzaman M., Haberer C.M. and P. Grathwohl (2013). Geochim. Cosmochim. Acta 120, 195-205. [2] Muniruzzaman M., Haberer C.M., Grathwohl P. and M. Rolle (2014). Geochim. Cosmochim. Acta 141, 656-669. [3] Muniruzzaman M. and M. Rolle (2017). Water Resour. Res. (in press). [4] Muniruzzaman M. and M. Rolle (2016). Adv. Water Resour. 98, 1-15.

Diffusion in Coulomb crystals.

PubMed

Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

2011-07-01

Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

Electronic cooling via interlayer Coulomb coupling in multilayer epitaxial graphene

PubMed Central

Mihnev, Momchil T.; Tolsma, John R.; Divin, Charles J.; Sun, Dong; Asgari, Reza; Polini, Marco; Berger, Claire; de Heer, Walt A.; MacDonald, Allan H.; Norris, Theodore B.

2015-01-01

In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron–phonon interactions occur primarily within layers and interlayer electrical conductivities are low. In addition, strong covalent in-plane intralayer bonding combined with weak van der Waals interlayer bonding results in weak phonon-mediated thermal coupling between the layers. We demonstrate here, however, that Coulomb interactions between electrons in different layers of multilayer epitaxial graphene provide an important mechanism for interlayer thermal transport, even though all electronic states are strongly confined within individual 2D layers. This effect is manifested in the relaxation dynamics of hot carriers in ultrafast time-resolved terahertz spectroscopy. We develop a theory of interlayer Coulomb coupling containing no free parameters that accounts for the experimentally observed trends in hot-carrier dynamics as temperature and the number of layers is varied. PMID:26399955

Analysis of Electrical Transport and Noise Mechanisms in Amorphous Silicon

DTIC Science & Technology

2015-11-23

and Skhlovskii [9] considered the long range Coulomb interaction and found that it reduces the DOS to zero at the Fermi level, thereby creating a so...called “ Coulomb gap (CG)” at low enough temperatures. This form of hopping conductivity results when an electron migrates from one site to another...site leaving a positively charged vacancy. For hopping to occur, the electron must have sufficient energy to overcome this Coulomb interaction

In-gap corner states in core-shell polygonal quantum rings.

PubMed

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-10

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

In-gap corner states in core-shell polygonal quantum rings

NASA Astrophysics Data System (ADS)

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-01

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

Engineering drag currents in Coulomb coupled quantum dots

NASA Astrophysics Data System (ADS)

Lim, Jong Soo; Sánchez, David; López, Rosa

2018-02-01

The Coulomb drag phenomenon in a Coulomb-coupled double quantum dot system is revisited with a simple model that highlights the importance of simultaneous tunneling of electrons. Previously, cotunneling effects on the drag current in mesoscopic setups have been reported both theoretically and experimentally. However, in both cases the sequential tunneling contribution to the drag current was always present unless the drag level position were too far away from resonance. Here, we consider the case of very large Coulomb interaction between the dots, whereby the drag current needs to be assisted by cotunneling events. As a consequence, a quantum coherent drag effect takes place. Further, we demonstrate that by properly engineering the tunneling probabilities using band tailoring it is possible to control the sign of the drag and drive currents, allowing them to flow in parallel or antiparallel directions. We also show that the drag current can be manipulated by varying the drag gate potential and is thus governed by electron- or hole-like transport.

Fabrication of High-Performance Polymer Bulk-Heterojunction Solar Cells by Interfacial Modifications II

DTIC Science & Technology

2010-08-25

coulombically bound electron-hole (e-h) pairs, commonly having a short range of the separation distance. [27, 31-34] Those excitons may undergo a...reactions causes a simultaneous reduction in the Isc and accounts for a negative MC response. The exciton-charge reaction is essentially Coulombic ...effect indicate that the excitons can interact with trapped charge carriers to de -trap the charge carriers. [46, 57, 58] Alternatively, the triplet

Coulomb-Driven Relativistic Electron Beam Compression

NASA Astrophysics Data System (ADS)

Lu, Chao; Jiang, Tao; Liu, Shengguang; Wang, Rui; Zhao, Lingrong; Zhu, Pengfei; Xiang, Dao; Zhang, Jie

2018-01-01

Coulomb interaction between charged particles is a well-known phenomenon in many areas of research. In general, the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific facilities such as ultrafast electron diffraction and x-ray free-electron lasers. Here we demonstrate a scheme that actually makes use of the Coulomb force to compress a relativistic electron beam. Furthermore, we show that the Coulomb-driven bunch compression process does not introduce additional timing jitter, which is in sharp contrast to the conventional radio-frequency buncher technique. Our work not only leads to enhanced temporal resolution in electron-beam-based ultrafast instruments that may provide new opportunities in probing material systems far from equilibrium, but also opens a promising direction for advanced beam manipulation through self-field interactions.

Coulomb-Driven Relativistic Electron Beam Compression.

PubMed

Lu, Chao; Jiang, Tao; Liu, Shengguang; Wang, Rui; Zhao, Lingrong; Zhu, Pengfei; Xiang, Dao; Zhang, Jie

2018-01-26

Coulomb interaction between charged particles is a well-known phenomenon in many areas of research. In general, the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific facilities such as ultrafast electron diffraction and x-ray free-electron lasers. Here we demonstrate a scheme that actually makes use of the Coulomb force to compress a relativistic electron beam. Furthermore, we show that the Coulomb-driven bunch compression process does not introduce additional timing jitter, which is in sharp contrast to the conventional radio-frequency buncher technique. Our work not only leads to enhanced temporal resolution in electron-beam-based ultrafast instruments that may provide new opportunities in probing material systems far from equilibrium, but also opens a promising direction for advanced beam manipulation through self-field interactions.

Phase diagram, correlation gap, and critical properties of the coulomb glass.

PubMed

Goethe, Martin; Palassini, Matteo

2009-07-24

We investigate the lattice Coulomb glass model in three dimensions via Monte Carlo simulations. No evidence for an equilibrium glass phase is found down to very low temperatures, although the correlation length increases rapidly near T = 0. A charge-ordered phase exists at low disorder. The transition to this phase is consistent with the random field Ising universality class, which shows that the interaction is effectively screened at moderate temperature. For large disorder, the single-particle density of states near the Coulomb gap satisfies the scaling relation g(epsilon, T) = T;{delta}f(|epsilon|/T) with delta = 2.01 +/- 0.05 in agreement with the prediction of Efros and Shklovskii. For decreasing disorder, a crossover to a larger effective exponent occurs due to the proximity of the charge-ordered phase.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isobe, Hiroki; Fu, Liang

Here, we study the pairing symmetry of the interlayer paired state of composite fermions in quantum Hall bilayers. Based on the Halperin-Lee-Read (HLR) theory, the effect of the long-range Coulomb interaction and the internal Chern-Simons gauge fluctuation is analyzed with the random-phase approximation beyond the leading order contribution in small momentum expansion, and we observe that the interlayer paired states with a relative angular momentummore » $l=+1$ are energetically favored for filling ν=$$\\frac{1}2$$+$$\\frac{1}2$$ and $$\\frac{1}4$$+$$\\frac{1}4$$. The degeneracy between states with $±l$ is lifted by the interlayer density-current interaction arising from the interplay of the long-range Coulomb interaction and the Chern-Simons term in the HLR theory.« less

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

NASA Astrophysics Data System (ADS)

Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

2018-04-01

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

Limits on Lorentz Invariance Violation from Coulomb Interactions in Nuclei and Atoms.

PubMed

Flambaum, V V; Romalis, M V

2017-04-07

Anisotropy in the speed of light that has been constrained by Michelson-Morley-type experiments also generates anisotropy in the Coulomb interactions. This anisotropy can manifest itself as an energy anisotropy in nuclear and atomic experiments. Here the experimental limits on Lorentz violation in _{10}^{21}Ne are used to improve the limits on Lorentz symmetry violations in the photon sector, namely, the anisotropy of the speed of light and the Coulomb interactions, by 7 orders of magnitude in comparison with previous experiments: the speed of light is isotropic to a part in 10^{28}.

In-gap corner states in core-shell polygonal quantum rings

PubMed Central

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-01

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states. PMID:28071750

Dynamic spin injection into a quantum well coupled to a spin-split bound state

NASA Astrophysics Data System (ADS)

Maslova, N. S.; Rozhansky, I. V.; Mantsevich, V. N.; Arseyev, P. I.; Averkiev, N. S.; Lähderanta, E.

2018-05-01

We present a theoretical analysis of dynamic spin injection due to spin-dependent tunneling between a quantum well (QW) and a bound state split in spin projection due to an exchange interaction or external magnetic field. We focus on the impact of Coulomb correlations at the bound state on spin polarization and sheet density kinetics of the charge carriers in the QW. The theoretical approach is based on kinetic equations for the electron occupation numbers taking into account high order correlation functions for the bound state electrons. It is shown that the on-site Coulomb repulsion leads to an enhanced dynamic spin polarization of the electrons in the QW and a delay in the carriers tunneling into the bound state. The interplay of these two effects leads to nontrivial dependence of the spin polarization degree, which can be probed experimentally using time-resolved photoluminescence experiments. It is demonstrated that the influence of the Coulomb interactions can be controlled by adjusting the relaxation rates. These findings open a new way of studying the Hubbard-like electron interactions experimentally.

Soft Coulomb gap and asymmetric scaling towards metal-insulator quantum criticality in multilayer MoS2.

PubMed

Moon, Byoung Hee; Bae, Jung Jun; Joo, Min-Kyu; Choi, Homin; Han, Gang Hee; Lim, Hanjo; Lee, Young Hee

2018-05-24

Quantum localization-delocalization of carriers are well described by either carrier-carrier interaction or disorder. When both effects come into play, however, a comprehensive understanding is not well established mainly due to complexity and sparse experimental data. Recently developed two-dimensional layered materials are ideal in describing such mesoscopic critical phenomena as they have both strong interactions and disorder. The transport in the insulating phase is well described by the soft Coulomb gap picture, which demonstrates the contribution of both interactions and disorder. Using this picture, we demonstrate the critical power law behavior of the localization length, supporting quantum criticality. We observe asymmetric critical exponents around the metal-insulator transition through temperature scaling analysis, which originates from poor screening in insulating regime and conversely strong screening in metallic regime due to free carriers. The effect of asymmetric scaling behavior is weakened in monolayer MoS 2 due to a dominating disorder.

Effective Coulomb force modeling for spacecraft in Earth orbit plasmas

NASA Astrophysics Data System (ADS)

Seubert, Carl R.; Stiles, Laura A.; Schaub, Hanspeter

2014-07-01

Coulomb formation flight is a concept that utilizes electrostatic forces to control the separations of close proximity spacecraft. The Coulomb force between charged bodies is a product of their size, separation, potential and interaction with the local plasma environment. A fast and accurate analytic method of capturing the interaction of a charged body in a plasma is shown. The Debye-Hückel analytic model of the electrostatic field about a charged sphere in a plasma is expanded to analytically compute the forces. This model is fitted to numerical simulations with representative geosynchronous and low Earth orbit (GEO and LEO) plasma environments using an effective Debye length. This effective Debye length, which more accurately captures the charge partial shielding, can be up to 7 times larger at GEO, and as great as 100 times larger at LEO. The force between a sphere and point charge is accurately captured with the effective Debye length, as opposed to the electron Debye length solutions that have errors exceeding 50%. One notable finding is that the effective Debye lengths in LEO plasmas about a charged body are increased from centimeters to meters. This is a promising outcome, as the reduced shielding at increased potentials provides sufficient force levels for operating the electrostatically inflated membrane structures concept at these dense plasma altitudes.

Coulomb Correlations Intertwined with Spin and Orbital Excitations in LaCoO_{3}.

PubMed

Tomiyasu, K; Okamoto, J; Huang, H Y; Chen, Z Y; Sinaga, E P; Wu, W B; Chu, Y Y; Singh, A; Wang, R-P; de Groot, F M F; Chainani, A; Ishihara, S; Chen, C T; Huang, D J

2017-11-10

We carried out temperature-dependent (20-550 K) measurements of resonant inelastic x-ray scattering on LaCoO_{3} to investigate the evolution of its electronic structure across the spin-state crossover. In combination with charge-transfer multiplet calculations, we accurately quantified the renomalized crystal-field excitation energies and spin-state populations. We show that the screening of the effective on-site Coulomb interaction of 3d electrons is orbital selective and coupled to the spin-state crossover in LaCoO_{3}. The results establish that the gradual spin-state crossover is associated with a relative change of Coulomb energy versus bandwidth, leading to a Mott-type insulator-to-metal transition.

Fermi-edge transmission resonance in graphene driven by a single Coulomb impurity.

PubMed

Karnatak, Paritosh; Goswami, Srijit; Kochat, Vidya; Pal, Atindra Nath; Ghosh, Arindam

2014-07-11

The interaction between the Fermi sea of conduction electrons and a nonadiabatic attractive impurity potential can lead to a power-law divergence in the tunneling probability of charge through the impurity. The resulting effect, known as the Fermi edge singularity (FES), constitutes one of the most fundamental many-body phenomena in quantum solid state physics. Here we report the first observation of FES for Dirac fermions in graphene driven by isolated Coulomb impurities in the conduction channel. In high-mobility graphene devices on hexagonal boron nitride substrates, the FES manifests in abrupt changes in conductance with a large magnitude ≈e(2)/h at resonance, indicating total many-body screening of a local Coulomb impurity with fluctuating charge occupancy. Furthermore, we exploit the extreme sensitivity of graphene to individual Coulomb impurities and demonstrate a new defect-spectroscopy tool to investigate strongly correlated phases in graphene in the quantum Hall regime.

Coulomb-like elastic interaction induced by symmetry breaking in nematic liquid crystal colloids.

PubMed

Lee, Beom-Kyu; Kim, Sung-Jo; Kim, Jong-Hyun; Lev, Bohdan

2017-11-21

It is generally thought that colloidal particles in a nematic liquid crystal do not generate the first multipole term called deformation elastic charge as it violates the mechanical equilibrium. Here, we demonstrate theoretically and experimentally that this is not the case, and deformation elastic charges, as well as dipoles and quadrupoles, can be induced through anisotropic boundary conditions. We report the first direct observation of Coulomb-like elastic interactions between colloidal particles in a nematic liquid crystal. The behaviour of two spherical colloidal particles with asymmetric anchoring conditions induced by asymmetric alignment is investigated experimentally; the interaction of two particles located at the boundary of twist and parallel aligned regions is observed. We demonstrate that such particles produce deformation elastic charges and interact by Coulomb-like interactions.

Interlayer Pairing Symmetry of Composite Fermions in Quantum Hall Bilayers

DOE PAGES

Isobe, Hiroki; Fu, Liang

2017-04-17

Here, we study the pairing symmetry of the interlayer paired state of composite fermions in quantum Hall bilayers. Based on the Halperin-Lee-Read (HLR) theory, the effect of the long-range Coulomb interaction and the internal Chern-Simons gauge fluctuation is analyzed with the random-phase approximation beyond the leading order contribution in small momentum expansion, and we observe that the interlayer paired states with a relative angular momentummore » $l=+1$ are energetically favored for filling ν=$$\\frac{1}2$$+$$\\frac{1}2$$ and $$\\frac{1}4$$+$$\\frac{1}4$$. The degeneracy between states with $±l$ is lifted by the interlayer density-current interaction arising from the interplay of the long-range Coulomb interaction and the Chern-Simons term in the HLR theory.« less

Gate-tunable electron interaction in high-κ dielectric films

DOE PAGES

Kondovych, Svitlana; Luk’yanchuk, Igor; Baturina, Tatyana I.; ...

2017-02-20

The two-dimensional (2D) logarithmic character of Coulomb interaction between charges and the resulting logarithmic confinement is a remarkable inherent property of high dielectric constant (high-k) thin films with far reaching implications. Most and foremost, this is the charge Berezinskii-Kosterlitz-Thouless transition with the notable manifestation, low-temperature superinsulating topological phase. Here we show that the range of the confinement can be tuned by the external gate electrode and unravel a variety of electrostatic interactions in high-k films. Lastly, our findings open a unique laboratory for the in-depth study of topological phase transitions and a plethora of related phenomena, ranging from criticality ofmore » quantum metal- and superconductor-insulator transitions to the effects of charge-trapping and Coulomb scalability in memory nanodevices.« less

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

Coulomb gap triptych in a periodic array of metal nanocrystals.

PubMed

Chen, Tianran; Skinner, Brian; Shklovskii, B I

2012-09-21

The Coulomb gap in the single-particle density of states (DOS) is a universal consequence of electron-electron interaction in disordered systems with localized electron states. Here we show that in arrays of monodisperse metallic nanocrystals, there is not one but three identical adjacent Coulomb gaps, which together form a structure that we call a "Coulomb gap triptych." We calculate the DOS and the conductivity in two- and three-dimensional arrays using a computer simulation. Unlike in the conventional Coulomb glass models, in nanocrystal arrays the DOS has a fixed width in the limit of large disorder. The Coulomb gap triptych can be studied via tunneling experiments.

Radiative corrections to the Coulomb law and model of dense quantum plasmas: Dispersion of longitudinal waves in magnetized quantum plasmas

NASA Astrophysics Data System (ADS)

Andreev, Pavel A.

2018-04-01

Two kinds of quantum electrodynamic radiative corrections to electromagnetic interactions and their influence on the properties of highly dense quantum plasmas are considered. Linear radiative correction to the Coulomb interaction is considered. Its contribution in the spectrum of the Langmuir waves is presented. The second kind of radiative corrections are related to the nonlinearity of the Maxwell equations for the strong electromagnetic field. Their contribution in the spectrum of transverse waves of magnetized plasmas is briefly discussed. At the consideration of the Langmuir wave spectrum, we included the effect of different distributions of the spin-up and spin-down electrons revealing in the Fermi pressure shift.

Study of p-4He total reaction cross-section using Glauber and Coulomb-modified Glauber models

NASA Astrophysics Data System (ADS)

Tag El-Din, Ibrahim M. A.; Taha, M. M.; Hassan, Samia S. A.

2014-02-01

The total nuclear reaction cross-section σR for p-4He in the energy range from 25 MeV to 1000 MeV is calculated within Glauber and Coulomb-modified Glauber models. The Coulomb-modified Glauber model (CMGM) is introduced via modification of the Coulomb trajectory of the projectile from a straight line, and calculation of the effective radius of interaction. The effects of in-medium nucleon-nucleon (NN) total cross-section, phase variation, high order momentum transfer component of nucleon-nucleon elastic scattering amplitude and Pauli blocking are studied. It is pointed out that the phase variation of the nucleon-nucleon amplitude plays a significant role in describing σR with γ = -1.6 fm2 at in-medium nuclear density ϱ = 0 and γ = -2 fm2 at ϱ = 0.17 fm-3 in the whole energy range. A remarkable fit to the available experimental data is obtained by invoking Pauli blocking and high order momentum transfer of nucleon-nucleon (NN) elastic scattering amplitude for Ep < 100 MeV.

Double Photoionization Near Threshold

NASA Technical Reports Server (NTRS)

Wehlitz, Ralf

2007-01-01

The threshold region of the double-photoionization cross section is of particular interest because both ejected electrons move slowly in the Coulomb field of the residual ion. Near threshold both electrons have time to interact with each other and with the residual ion. Also, different theoretical models compete to describe the double-photoionization cross section in the threshold region. We have investigated that cross section for lithium and beryllium and have analyzed our data with respect to the latest results in the Coulomb-dipole theory. We find that our data support the idea of a Coulomb-dipole interaction.

Coulomb effects in low-energy nuclear fragmentation

NASA Technical Reports Server (NTRS)

Wilson, John W.; Chun, Sang Y.; Badavi, Francis F.; John, Sarah

1993-01-01

Early versions of the Langley nuclear fragmentation code NUCFRAG (and a publicly released version called HZEFRG1) assumed straight-line trajectories throughout the interaction. As a consequence, NUCFRAG and HZEFRG1 give unrealistic cross sections for large mass removal from the projectile and target at low energies. A correction for the distortion of the trajectory by the nuclear Coulomb fields is used to derive fragmentation cross sections. A simple energy-loss term is applied to estimate the energy downshifts that greatly alter the Coulomb trajectory at low energy. The results, which are far more realistic than prior versions of the code, should provide the data base for future transport calculations. The systematic behavior of charge-removal cross sections compares favorably with results from low-energy experiments.

Effect of Anharmonicity on the Kondo Phenomena of a Magnetic Ion Vibrating in a Confinement Potential

NASA Astrophysics Data System (ADS)

Yashiki, Satoshi; Ueda, Kazuo

2011-08-01

Effect of anharmonicity of a cage potential for a magnetic ion vibrating in a metal is investigated by the numerical renormalization group method. The cage potential is assumed to be one-dimensional and of the double-well type. In the absence of the Coulomb interaction, we find continuous crossover among the three limiting cases: Yu--Anderson-type Kondo regime, the double-well-type Kondo one, and the renormalized Fermi chain one. In the entire parameter space of the double-well potential, the ground state is described by a local Fermi liquid. In the Yu--Anderson-type Kondo regime, a quantum phase transition to the ground state with odd parity takes place passing through the two-channel Kondo fixed point when the Coulomb interaction increases. Therefore, the vibration of a magnetic ion in an oversized cage structure is a promising route to the two-channel Kondo effect.

Temperature-Dependent Ellipsometry Measurements of Partial Coulomb Energy in Superconducting Cuprates

DOE PAGES

Levallois, J.; Tran, M. K.; Pouliot, D.; ...

2016-08-24

Here we performed an experimental study of the temperature and doping dependence of the energy-loss function of the bilayer and trilayer bismuth cuprates family. The primary aim is to obtain information on the energy stored in the Coulomb interaction between the conduction electrons, on the temperature dependence thereof, and on the change of Coulomb interaction when Cooper pairs are formed. We performed temperature-dependent ellipsometry measurements on several Bi 2Sr 2CaCu 2O 8₋x single crystals: underdoped with T c=60, 70, and 83 K; optimally doped with T c=91 K; overdoped with T c=84, 81, 70, and 58 K; as well asmore » optimally doped Bi 2Sr 2Ca 2Cu 3O 10+x with T c=110 K. Our first observation is that, as the temperature drops through T c, the loss function in the range up to 2 eV displays a change of temperature dependence as compared to the temperature dependence in the normal state. This effect at—or close to—T c depends strongly on doping, with a sign change for weak overdoping. The size of the observed change in Coulomb energy, using an extrapolation with reasonable assumptions about its q dependence, is about the same size as the condensation energy that has been measured in these compounds. Our results therefore lend support to the notion that the Coulomb energy is an important factor for stabilizing the superconducting phase. Lastly, because of the restriction to small momentum, our observations do not exclude a possible significant contribution to the condensation energy of the Coulomb energy associated with the region of q around (π,π).« less

Coulomb interactions in charged fluids.

PubMed

Vernizzi, Graziano; Guerrero-García, Guillermo Iván; de la Cruz, Monica Olvera

2011-07-01

The use of Ewald summation schemes for calculating long-range Coulomb interactions, originally applied to ionic crystalline solids, is a very common practice in molecular simulations of charged fluids at present. Such a choice imposes an artificial periodicity which is generally absent in the liquid state. In this paper we propose a simple analytical O(N(2)) method which is based on Gauss's law for computing exactly the Coulomb interaction between charged particles in a simulation box, when it is averaged over all possible orientations of a surrounding infinite lattice. This method mitigates the periodicity typical of crystalline systems and it is suitable for numerical studies of ionic liquids, charged molecular fluids, and colloidal systems with Monte Carlo and molecular dynamics simulations.

Quantum ballistic transport by interacting two-electron states in quasi-one-dimensional channels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Danhong; Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106; Gumbs, Godfrey

2015-11-15

For quantum ballistic transport of electrons through a short conduction channel, the role of Coulomb interaction may significantly modify the energy levels of two-electron states at low temperatures as the channel becomes wide. In this regime, the Coulomb effect on the two-electron states is calculated and found to lead to four split energy levels, including two anticrossing-level and two crossing-level states. Moreover, due to the interplay of anticrossing and crossing effects, our calculations reveal that the ground two-electron state will switch from one anticrossing state (strong confinement) to a crossing state (intermediate confinement) as the channel width gradually increases andmore » then back to the original anticrossing state (weak confinement) as the channel width becomes larger than a threshold value. This switching behavior leaves a footprint in the ballistic conductance as well as in the diffusion thermoelectric power of electrons. Such a switching is related to the triple spin degeneracy as well as to the Coulomb repulsion in the central region of the channel, which separates two electrons away and pushes them to different channel edges. The conductance reoccurrence region expands from the weak to the intermediate confinement regime with increasing electron density.« less

Dissipative NEGF methodology to treat short range Coulomb interaction: Current through a 1D nanostructure.

PubMed

Martinez, Antonio; Barker, John R; Di Prieto, Riccardo

2018-06-13

A methodology describing Coulomb blockade in the Non-equilibrium Green Function formalism is presented. We carried out ballistic and dissipative simulations through a 1D quantum dot using an Einstein phonon model. Inelastic phonons with different energies have been considered. The methodology incorporates the short-range Coulomb interaction between two electrons through the use of a two-particle Green's function. Unlike previous work, the quantum dot has spatial resolution i.e. it is not just parameterized by the energy level and coupling constants of the dot. Our method intends to describe the effect of electron localization while maintaining an open boundary or extended wave function. The formalism conserves the current through the nanostructure. A simple 1D model is used to explain the increase of mobility in semi-crystalline polymers as a function of the electron concentration. The mechanism suggested is based on the lifting of energy levels into the transmission window as a result of the local electron-electron repulsion inside a crystalline domain. The results are aligned with recent experimental findings. Finally, as a proof of concept, we present a simulation of a low temperature resonant structure showing the stability diagram in the Coulomb blockade regime. . © 2018 IOP Publishing Ltd.

Cobalt adatoms on graphene: Effects of anisotropies on the correlated electronic structure

NASA Astrophysics Data System (ADS)

Mozara, R.; Valentyuk, M.; Krivenko, I.; Şaşıoǧlu, E.; Kolorenč, J.; Lichtenstein, A. I.

2018-02-01

Impurities on surfaces experience a geometric symmetry breaking induced not only by the on-site crystal-field splitting and the orbital-dependent hybridization, but also by different screening of the Coulomb interaction in different directions. We present a many-body study of the Anderson impurity model representing a Co adatom on graphene, taking into account all anisotropies of the effective Coulomb interaction, which we obtained by the constrained random-phase approximation. The most pronounced differences are naturally displayed by the many-body self-energy projected onto the single-particle states. For the solution of the Anderson impurity model and analytical continuation of the Matsubara data, we employed new implementations of the continuous-time hybridization expansion quantum Monte Carlo and the stochastic optimization method, and we verified the results in parallel with the exact diagonalization method.

Anisotropic Coulomb Explosion of CO Ligands in Group 6 Metal Hexacarbonyls: Cr(CO)6, Mo(CO)6, W(CO)6.

PubMed

Tanaka, Hiroki; Nakashima, Nobuaki; Yatsuhashi, Tomoyuki

2016-09-08

Multiple ionization and subsequent Coulomb explosion have been studied for many organic molecules and their clusters; however, the metal complexes, particularly the large Coulombic interactions expected between a metal and its ligands, have not yet been explored. In this study, the angular distribution of CO(+), oxygen, and carbon ions ejected from metal hexacarbonyls (M(CO)6, M: Cr, Mo, W) having Oh symmetry by Coulomb explosion in femtosecond laser fields (>1 × 10(14) W cm(-2)) is investigated. The emissions of oxygen ions are well-explained in terms of the geometric alignment along a line inclined 45° relative to the CO-M-CO axis in a M(CO)4 plane. Unlike the explosion behavior of the oxygen ions located on the outer part of the molecule, the explosion behavior of the carbon ions was affected by the laser intensity, kinetic energy, and metal. This finding that the emission trends of carbon sandwiched between oxygen and metal atoms were the opposite of those for oxygen was explained by the obstruction by oxygen, the deformation of structure in bending coordinates, and the strong interaction with charged metal. The anisotropic Coulomb explosion of metal complexes reflecting their structural symmetry and central metal charge is a promising candidate for use in the investigation of large Coulombic interactions at the molecular level.

Strong Coulomb effects on pions produced in heavy ion collisons

NASA Astrophysics Data System (ADS)

Sullivan, J. P.; Bistirlich, J. A.; Bowman, H. R.; Bossingham, R.; Buttke, T.; Crowe, K. M.; Frankel, K. A.; Martoff, C. J.; Miller, J.; Murphy, D. L.; Rasmussen, J. O.; Zajc, W. A.; Hashimoto, O.; Koike, M.; Péter, J.; Benenson, W.; Crawley, G. M.; Kashy, E.; Nolen, J. A.

1982-03-01

Doubly differential cross sections for the production of π+ and π- near the velocity of the incident beam for pion laboratory angles from 0 to 20 degrees are presented. Beams of 20Ne with EA=280, 380, and 480 MeV and 40Ar with EA=535 MeV incident on C, NaF, KCl, Cu, and U targets were used. A sharp peak in the π- spectrum and a depression in the π+ spectrum is observed at 0° near the incident projectile velocity. The effect is explained in terms of Coulomb interactions between pions and fragments of the incident beam. Least squares fits to the data using the Coulomb correction formulas of Gyulassy and Kauffmann and an effective projectile fragment charge are made. The relationship between these data and previously measured projectile fragmentation data is discussed and a simple parametrization of projectile mass, target mass, and beam energy dependence of the differential cross sections is given. NUCLEAR REACTIONS C, NaF, Cu, U (20Ne,π+/-)X, EA=280-480 MeV; C, KCl (40Ar,π+/-)X, EA=535 MeV; measured σ(Eπ,θπ), θπ=0°-20°, π velocity near beam velocity; deduced projectile fragment charges, Coulomb effects.

Stability of the Superconducting d-Wave Pairing Toward the Intersite Coulomb Repulsion in CuO_2 Plane

NASA Astrophysics Data System (ADS)

Val'kov, V. V.; Dzebisashvili, D. M.; Korovushkin, M. M.; Barabanov, A. F.

2018-06-01

Taking into account the real crystalline structure of the CuO_2 plane and the strong spin-fermion coupling, we study the influence of the intersite Coulomb repulsion between holes on the Cooper instability of the spin-polaron quasiparticles in cuprate superconductors. The analysis shows that only the superconducting d-wave pairing is implemented in the whole region of doping, whereas the solutions of the self-consistent equations for the s-wave pairing are absent. It is shown that intersite Coulomb interaction V_1 between the holes located at the nearest oxygen ions does not affect the d-wave pairing, because its Fourier transform V_q vanishes in the kernel of the corresponding integral equation. The intersite Coulomb interaction V_2 of quasiparticles located at the next-nearest oxygen ions does not vanish in the integral equations, however, but it is also shown that the d-wave pairing is robust toward this interaction for physically reasonable values of V_2.

Stability of the Superconducting d-Wave Pairing Toward the Intersite Coulomb Repulsion in CuO_2 Plane

NASA Astrophysics Data System (ADS)

Val'kov, V. V.; Dzebisashvili, D. M.; Korovushkin, M. M.; Barabanov, A. F.

2018-03-01

Taking into account the real crystalline structure of the CuO_2 plane and the strong spin-fermion coupling, we study the influence of the intersite Coulomb repulsion between holes on the Cooper instability of the spin-polaron quasiparticles in cuprate superconductors. The analysis shows that only the superconducting d-wave pairing is implemented in the whole region of doping, whereas the solutions of the self-consistent equations for the s-wave pairing are absent. It is shown that intersite Coulomb interaction V_1 between the holes located at the nearest oxygen ions does not affect the d-wave pairing, because its Fourier transform V_q vanishes in the kernel of the corresponding integral equation. The intersite Coulomb interaction V_2 of quasiparticles located at the next-nearest oxygen ions does not vanish in the integral equations, however, but it is also shown that the d-wave pairing is robust toward this interaction for physically reasonable values of V_2.

Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

NASA Technical Reports Server (NTRS)

Maung, Khin Maung; Kahana, David E.; Norbury, John W.

1992-01-01

Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

Entanglement manipulation via Coulomb interaction in an optomechanical cavity assisted by two-level cold atoms

NASA Astrophysics Data System (ADS)

Wang, Jing; Tian, Xue-Dong; Liu, Yi-Mou; Cui, Cui-Li; Wu, Jin-Hui

2018-06-01

We investigate the stationary entanglement properties in a hybrid system consisting of an optical cavity, a mechanical resonator, a charged object, and an atomic ensemble. Numerical results show that this hybrid system exhibits three kinds of controllable bipartite entanglements in an experimentally accessible parameter regime with the help of the charged object. More importantly, it is viable to enhance on demand each bipartite entanglement at the expense of reducing others by modulating the Coulomb coupling strength. Last but not least, these bipartite entanglements seem more robust against on the environmental temperature for the positive Coulomb interaction.

Molecular dynamics simulation of Coulomb explosion, melting and shock wave creation in silicon after an ionization pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhongyu; Shao, Lin, E-mail: lshao@tamu.edu; Chen, Di

Strong electronic stopping power of swift ions in a semiconducting or insulating substrate can lead to localized electron stripping. The subsequent repulsive interactions among charged target atoms can cause Coulomb explosion. Using molecular dynamics simulation, we simulate Coulomb explosion in silicon by introducing an ionization pulse lasting for different periods, and at different substrate temperatures. We find that the longer the pulse period, the larger the melting radius. The observation can be explained by a critical energy density model assuming that melting required thermal energy density is a constant value and the total thermal energy gained from Coulomb explosion ismore » linearly proportional to the ionization period. Our studies also show that melting radius is larger at higher substrate temperatures. The temperature effect is explained due to a longer structural relaxation above the melting temperature at original ionization boundary due to lower heat dissipation rates. Furthermore, simulations show the formation of shock waves, created due to the compression from the melting core.« less

Relativistic coupled cluster theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian: Relativistic pair correlation energies of the Xe atom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eliav, E.; Kaldor, U.; Ishikawa, Y.

1994-12-31

Relativistic pair correlation energies of Xe were computed by employing a recently developed relativistic coupled cluster theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian. The matrix Dirac-Fock-Breit SCF and relativistic coupled cluster calculations were performed by means of expansion in basis sets of well-tempered Gaussian spinors. A detailed study of the pair correlation energies in Xe is performed, in order to investigate the effects of the low-frequency Breit interaction on the correlation energies of Xe. Nonadditivity of correlation and relativistic (particularly Breit) effects is discussed.

Numerical method for N electrons bound to a polar quantum dot with a Coulomb impurity

NASA Astrophysics Data System (ADS)

Yau, J. K.; Lee, C. M.

2003-03-01

A numerical method is proposed to calculate the Frohlich Hamiltonian containing N electrons bound to polar quantum dot with a Coulomb impurity without transformation to the coordination frame of the center of mass and by direct diagonalization. As an example to demonstrate the formalism of this method, the low-lying spectra of three interacting electrons bound to an on-center Coulomb impurity, both for accepter and donor, are calculated and analyzed in a polar quantum dot under a perpendicular magnetic field. Taking polaron effect into account, the physical meaning of the phonon-induced terms, both self-square terms and cross terms of the Hamiltonian are discussed. The calculation can also be applied to systems containing particles with opposite charges, such as excitons.

Phase diagram, correlation gap, and critical properties of the Coulomb glass

NASA Astrophysics Data System (ADS)

Palassini, Matteo; Goethe, Martin

2009-03-01

We investigate the lattice Coulomb glass model in three dimensions via extensive Monte Carlo simulations. 1. No evidence for an equilibrium glass phase is found down to very low temperatures, contrary to mean-field predictions, although the correlation length increases rapidly near T=0. 2. The single-particle density of states near the Coulomb gap satisfies the scaling law g(e,T)=T^λf(e/T) with λ 2.2. 3. A charge-ordered phase exists at low disorder. The phase transition from the fluid to the charge ordered phase is consistent with the Random Field Ising universality class, which shows that the interaction is effectively screened at moderate temperature. Results from nonequilibrium simulations will also be briefly discussed. Reference: M.Goethe and M.Palassini, arXiv:0810.1047

Low-temperature electronic transport in single K(0.27)MnO(2)·0.5H(2)O nanowires: enhanced electron-electron interaction.

PubMed

Long, Y Z; Yin, Z H; Chen, Z J; Jin, A Z; Gu, C Z; Zhang, H T; Chen, X H

2008-05-28

The current-voltage (I-V) characteristics and electrical resistivity of isolated potassium manganese oxide (K(0.27)MnO(2)·0.5H(2)O) nanowires prepared by a simple hydrothermal method were investigated over a wide temperature range from 300 to 4 K. With lowering temperature, a transition from linear to nonlinear I-V curves was observed around 50 K, and a clear zero bias anomaly (i.e., Coulomb gap-like structure) appeared on the differential conductance (dI/dV) curves, possibly due to enhanced electron-electron interaction at low temperatures. The temperature dependence of resistivity, [Formula: see text], follows the Efros-Shklovskii (ES) law, as expected in the presence of a Coulomb gap. Here we note that both the ES law and Coulomb blockade can in principle lead to a reduced zero bias conductance at low temperatures; in this study we cannot exclude the possibility of Coulomb-blockade transport in the measured nanowires, especially in the low-temperature range. It is still an open question how to pin down the origin of the observed reduction to a Coulomb gap (ES law) or Coulomb blockade.

A first-principles model of copper-boron interactions in Si: implications for the light-induced degradation of solar Si

NASA Astrophysics Data System (ADS)

Wright, E.; Coutinho, J.; Öberg, S.; Torres, V. J. B.

2017-02-01

The recent discovery that Cu contamination of Si combined with light exposure has a significant detrimental impact on carrier life-time has drawn much concern within the solar-Si community. The effect, known as the copper-related light-induced degradation (Cu-LID) of Si solar cells, has been connected to the release of Cu interstitials within the bulk (2016 Sol. Energy Mater. Sol. Cells 147 115-26). In this paper, we describe a comprehensive analysis of the formation/dissociation process of the CuB pair in Si by means of first-principles modelling, as well as the interaction of CuB defects with photo-excited minority carriers. We confirm that the long-range interaction between the \\text{Cu}\\text{i}+ cation and the \\text{B}\\text{s}- anion has a Coulomb-like behaviour, in line with the trapping-limited diffusivity of Cu observed by transient ion drift measurements. On the other hand, the short-range interaction between the d-electrons of Cu and the excess of negative charge on \\text{B}\\text{s}- produces a repulsive effect, thereby decreasing the binding energy of the pair when compared to the ideal point-charge Coulomb model. We also find that metastable CuB pairs produce acceptor states just below the conduction band minimum, which arise from the Cu level emptied by the B acceptor. Based on these results, we argue that photo-generated minority carriers trapped by the metastable pairs can switch off the Coulomb interaction that holds the pairs together, enhancing the release of Cu interstitials, and acting as a catalyst for Cu-LID.

Spin precession in spin-orbit coupled weak links: Coulomb repulsion and Pauli quenching

NASA Astrophysics Data System (ADS)

Shekhter, R. I.; Entin-Wohlman, O.; Jonson, M.; Aharony, A.

2017-12-01

A simple model for the transmission of pairs of electrons through a weak electric link in the form of a nanowire made of a material with strong electron spin-orbit interaction (SOI) is presented, with emphasis on the effects of Coulomb interactions and the Pauli exclusion principle. The constraints due to the Pauli principle are shown to "quench" the coherent SOI-induced precession of the spins when the spatial wave packets of the two electrons overlap significantly. The quenching, which results from the projection of the pair's spin states onto spin-up and spin-down states on the link, breaks up the coherent propagation in the link into a sequence of coherent hops that add incoherently. Applying the model to the transmission of Cooper pairs between two superconductors, we find that in spite of Pauli quenching, the Josephson current oscillates with the strength of the SOI, but may even change its sign (compared to the limit of the Coulomb blockade, when the quenching is absent). Conditions for an experimental detection of these features are discussed.

In silico prediction of drug solubility: 2. Free energy of solvation in pure melts.

PubMed

Lüder, Kai; Lindfors, Lennart; Westergren, Jan; Nordholm, Sture; Kjellander, Roland

2007-02-22

The solubility of drugs in water is investigated in a series of papers and in the current work. The free energy of solvation, DeltaG*(vl), of a drug molecule in its pure drug melt at 673.15 K (400 degrees C) has been obtained for 46 drug molecules using the free energy perturbation method. The simulations were performed in two steps where first the Coulomb and then the Lennard-Jones interactions were scaled down from full to no interaction. The results have been interpreted using a theory assuming that DeltaG*(vl) = DeltaG(cav) + E(LJ) + E(C)/2 where the free energy of cavity formation, DeltaG(cav), in these pure drug systems was obtained using hard body theories, and E(LJ) and E(C) are the Lennard-Jones and Coulomb interaction energies, respectively, of one molecule with the other ones. Since the main parameter in hard body theories is the volume fraction, an equation of state approach was used to estimate the molecular volume. Promising results were obtained using a theory for hard oblates, in which the oblate axial ratio was calculated from the molecular surface area and volume obtained from simulations. The Coulomb term, E(C)/2, is half of the Coulomb energy in accord with linear response, which showed good agreement with our simulation results. In comparison with our previous results on free energy of hydration, the Coulomb interactions in pure drug systems are weaker, and the van der Waals interactions play a more important role.

Solution of the Dirac Coulomb equation for helium-like ions in the Poet-Temkin model

NASA Astrophysics Data System (ADS)

Tang, Li-Yan; Tang, Yong-Bo; Shi, Ting-Yun; Mitroy, J.

2013-10-01

The Dirac-Coulomb equation for the helium atom is studied under the restrictions of the Poet-Temkin model which replaces the 1/r12 interaction by the simplified 1/r> form. The effective reduction in the dimensionality made it possible to obtain binding energies for the singlet and triplet states in this model problem with a relative precision from 10-8 to 10-10. The energies for the singlet state were consistent with a previous configuration interaction calculation [H. Tatewaki and Y. Watanabe, Chem. Phys. 389, 58 (2011)]. Manifestations of Brown-Ravenhall disease were noted at higher values of nuclear charge and ultimately limited the accuracy of the Poet-Temkin model energy. The energies from a no-pair configuration interaction (CI) calculation (the negative-energy states for the appropriate hydrogen-like ion were excluded from the CI expansion) were found to be different from the unrestricted B-spline calculation.

Solution of the Dirac Coulomb equation for helium-like ions in the Poet-Temkin model.

PubMed

Tang, Li-Yan; Tang, Yong-Bo; Shi, Ting-Yun; Mitroy, J

2013-10-07

The Dirac-Coulomb equation for the helium atom is studied under the restrictions of the Poet-Temkin model which replaces the 1/r12 interaction by the simplified 1/r> form. The effective reduction in the dimensionality made it possible to obtain binding energies for the singlet and triplet states in this model problem with a relative precision from 10(-8) to 10(-10). The energies for the singlet state were consistent with a previous configuration interaction calculation [H. Tatewaki and Y. Watanabe, Chem. Phys. 389, 58 (2011)]. Manifestations of Brown-Ravenhall disease were noted at higher values of nuclear charge and ultimately limited the accuracy of the Poet-Temkin model energy. The energies from a no-pair configuration interaction (CI) calculation (the negative-energy states for the appropriate hydrogen-like ion were excluded from the CI expansion) were found to be different from the unrestricted B-spline calculation.

Self-Consistent Monte Carlo Study of the Coulomb Interaction under Nano-Scale Device Structures

NASA Astrophysics Data System (ADS)

Sano, Nobuyuki

2011-03-01

It has been pointed that the Coulomb interaction between the electrons is expected to be of crucial importance to predict reliable device characteristics. In particular, the device performance is greatly degraded due to the plasmon excitation represented by dynamical potential fluctuations in high-doped source and drain regions by the channel electrons. We employ the self-consistent 3D Monte Carlo (MC) simulations, which could reproduce both the correct mobility under various electron concentrations and the collective plasma waves, to study the physical impact of dynamical potential fluctuations on device performance under the Double-gate MOSFETs. The average force experienced by an electron due to the Coulomb interaction inside the device is evaluated by performing the self-consistent MC simulations and the fixed-potential MC simulations without the Coulomb interaction. Also, the band-tailing associated with the local potential fluctuations in high-doped source region is quantitatively evaluated and it is found that the band-tailing becomes strongly dependent of position in real space even inside the uniform source region. This work was partially supported by Grants-in-Aid for Scientific Research B (No. 2160160) from the Ministry of Education, Culture, Sports, Science and Technology in Japan.

Optical conductivity of an interacting Weyl liquid in the collisionless regime

NASA Astrophysics Data System (ADS)

Roy, Bitan; Juričić, Vladimir

2017-10-01

Optical conductivity (OC) can serve as a measure of correlation effects in a wide range of condensed-matter systems. We show that the long-range tail of the Coulomb interaction yields a universal correction to the OC in a three-dimensional Weyl semimetal σ (Ω ) =σ0(Ω ) [1 +1/N +1 ] , where σ0(Ω ) =N e02Ω /(12 h v ) is the OC in the noninteracting system, with v as the actual (renormalized) Fermi velocity of Weyl quasiparticles at frequency Ω , and e0 is the electron charge in vacuum. Such universal enhancement of OC, which depends only on the number of Weyl nodes near the Fermi level (N ), is a remarkable consequence of an intriguing conspiracy among the quantum-critical nature of an interacting Weyl liquid, marginal irrelevance of the long-range Coulomb interaction, and violation of hyperscaling in three dimensions, and can directly be measured in recently discovered Weyl as well as Dirac materials. By contrast, a local density-density interaction produces a nonuniversal correction to the OC, stemming from the nonrenormalizable nature of the corresponding interacting field theory.

Long-ranged contributions to solvation free energies from theory and short-ranged models

PubMed Central

Remsing, Richard C.; Liu, Shule; Weeks, John D.

2016-01-01

Long-standing problems associated with long-ranged electrostatic interactions have plagued theory and simulation alike. Traditional lattice sum (Ewald-like) treatments of Coulomb interactions add significant overhead to computer simulations and can produce artifacts from spurious interactions between simulation cell images. These subtle issues become particularly apparent when estimating thermodynamic quantities, such as free energies of solvation in charged and polar systems, to which long-ranged Coulomb interactions typically make a large contribution. In this paper, we develop a framework for determining very accurate solvation free energies of systems with long-ranged interactions from models that interact with purely short-ranged potentials. Our approach is generally applicable and can be combined with existing computational and theoretical techniques for estimating solvation thermodynamics. We demonstrate the utility of our approach by examining the hydration thermodynamics of hydrophobic and ionic solutes and the solvation of a large, highly charged colloid that exhibits overcharging, a complex nonlinear electrostatic phenomenon whereby counterions from the solvent effectively overscreen and locally invert the integrated charge of the solvated object. PMID:26929375

Transient dynamics in cavity electromagnetically induced transparency with ion Coulomb crystals

NASA Astrophysics Data System (ADS)

Albert, Magnus; Dantan, Aurélien; Drewsen, Michael

2018-03-01

We experimentally investigate the transient dynamics of an optical cavity field interacting with large ion Coulomb crystals in a situation of electromagnetically induced transparency (EIT). EIT is achieved by injecting a probe field at the single photon level and a more intense control field with opposite circular polarization into the same mode of an optical cavity to couple Zeeman substates of a metastable level in ? ions. The EIT interaction dynamics are investigated both in the frequency-domain - by measuring the probe field steady state reflectivity spectrum - and in the time-domain - by measuring the progressive buildup of transparency. The experimental results are observed to be in excellent agreement with theoretical predictions taking into account the inhomogeneity of the control field in the interaction volume, and confirm the high degree of control on light-matter interaction that can be achieved with ion Coulomb crystals in optical cavities.

Nonlinear thermoelectric transport in single-molecule junctions: the effect of electron-phonon interactions.

PubMed

Zimbovskaya, Natalya A

2016-07-27

In this paper, we theoretically analyze steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. The thermally induced charge current in the system is explored using a nonequilibrium Green function formalism. We study the combined effects of Coulomb interactions between charge carriers on the bridge and electron-phonon interactions on the thermocurrent beyond the linear response regime. It is shown that electron-vibron interactions may significantly affect both the magnitude and the direction of the thermocurrent, and vibrational signatures may appear.

Cluster structure and Coulomb shift in two-center mirror systems

NASA Astrophysics Data System (ADS)

Nakao, M.; Umehara, H.; Sonoda, S.; Ebata, S.; Ito, M.

2017-11-01

The α + 14C elastic scattering and the nuclear structure of its compound systems, 18O = α + 14C, are analyzed on the basis of the semi-microscopic model. The α + 14C interaction potential is constructed from the double folding (DF) model with the effective nucleon-nucleon interaction of the density-dependent Michigan 3-range Yukawa. The DF potential is applied to the α+14C elastic scattering in the energy range of Eα/Aα = 5.5 8.8 MeV, and the observed differential cross sections are reasonably reproduced. The energy spectra of 18O are calculated by employing the orthogonality condition model (OCM) plus the absorbing boundary condition (ABC). The OCM + ABC calculation predicts the formation of the 0+ resonance around E = 3MeV with respect to the α threshold, which seems to correspond to the resonance identified in the recent experiment. We also apply the OCM + ABC calculation to the mirror system, such as 18Ne = α+14O, and the Coulomb shift of 18O - 18Ne is evaluated. We have found that the Coulomb shift is clearly reduced in the excited 0+ state due to the development of the α cluster structure. This result strongly supports that the Coulomb shift is a candidate of new probe to identify the clustering phenomena.

Monte-Carlo Orbit/Full Wave Simulation of Fast Alfvén Wave (FW) Damping on Resonant Ions in Tokamaks

NASA Astrophysics Data System (ADS)

Choi, M.; Chan, V. S.; Tang, V.; Bonoli, P.; Pinsker, R. I.; Wright, J.

2005-09-01

To simulate the resonant interaction of fast Alfvén wave (FW) heating and Coulomb collisions on energetic ions, including finite orbit effects, a Monte-Carlo code ORBIT-RF has been coupled with a 2D full wave code TORIC4. ORBIT-RF solves Hamiltonian guiding center drift equations to follow trajectories of test ions in 2D axisymmetric numerical magnetic equilibrium under Coulomb collisions and ion cyclotron radio frequency quasi-linear heating. Monte-Carlo operators for pitch-angle scattering and drag calculate the changes of test ions in velocity and pitch angle due to Coulomb collisions. A rf-induced random walk model describing fast ion stochastic interaction with FW reproduces quasi-linear diffusion in velocity space. FW fields and its wave numbers from TORIC are passed on to ORBIT-RF to calculate perpendicular rf kicks of resonant ions valid for arbitrary cyclotron harmonics. ORBIT-RF coupled with TORIC using a single dominant toroidal and poloidal wave number has demonstrated consistency of simulations with recent DIII-D FW experimental results for interaction between injected neutral-beam ions and FW, including measured neutron enhancement and enhanced high energy tail. Comparison with C-Mod fundamental heating discharges also yielded reasonable agreement.

Spin and charge transport through carbon based systems

NASA Astrophysics Data System (ADS)

Jung, Suyong

In this thesis, we investigate spin-dependent transport through ferromagnet-contacted single-walled carbon nanotubes (SWCNTs), in which charge transport shows the Fabry-Perot (FP) interference effect, the Kondo effect and the Coulomb blockade effect at low temperatures. Hysteric magnetoresistance (MR) is observed in all three transport regimes, which can be controlled by both the external magnetic field and the gate voltage. The MR in the FP interference regime can be well understood by a model considering the intrinsic electronic structure of SWCNTs and the quantum interference effect. In the strongly interacting Kondo regime, the Kondo effect is not suppressed by the presence of nearby ferromagnetism. Several observed MR features including the non-splitted zero-bias Kondo peak and positive MR switching can be explained by the strong Kondo effect and weak ferromagnetism in the leads. In the Coulomb blockade regime, several effects that can be associated with the magneto-Coulomb effect have been observed, and isolated spin accumulation and transport through the SWCNT quantum dot have been realized by a four-probe non-local measurements. We also studied charge transport behavior through organic semiconductor pentacene thin film transistors (OTFTs) in the limit of single- or a few molecular layers of pentacene films. The charge transport in these devices can be well explained by the multiple trapping and release model. The structural disorders induced by the physical and chemical causes, such as grain boundaries, interactions with gate insulator, metal contacts and ambient conditions can be responsible for the localized trap states in the ultrathin layer OTFTs, which are further confirmed by the electric force microscopy (EFM) measurements.

Relativistic well-tempered Gaussian basis sets for helium through mercury. Breit interaction included

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okada, S.; Shinada, M.; Matsuoka, O.

1990-10-01

A systematic calculation of new relativistic Gaussian basis sets is reported. The new basis sets are similar to the previously reported ones (J. Chem. Phys. {bold 91}, 4193 (1989)), but, in the calculation, the Breit interaction has been explicitly included besides the Dirac--Coulomb Hamiltonian. They have been adopted for the calculation of the self-consistent field effect on the Breit interaction energies and are expected to be useful for the studies on higher-order effects such as the electron correlations and other quantum electrodynamical effects.

Topological resolution of gauge theory singularities

NASA Astrophysics Data System (ADS)

Saracco, Fabio; Tomasiello, Alessandro; Torroba, Gonzalo

2013-08-01

Some gauge theories with Coulomb branches exhibit singularities in perturbation theory, which are usually resolved by nonperturbative physics. In string theory this corresponds to the resolution of timelike singularities near the core of orientifold planes by effects from F or M theory. We propose a new mechanism for resolving Coulomb branch singularities in three-dimensional gauge theories, based on Chern-Simons interactions. This is illustrated in a supersymmetric SU(2) Yang-Mills-Chern-Simons theory. We calculate the one-loop corrections to the Coulomb branch of this theory and find a result that interpolates smoothly between the high-energy metric (that would exhibit the singularity) and a regular singularity-free low-energy result. We suggest possible applications to singularity resolution in string theory and speculate a relationship to a similar phenomenon for the orientifold six-plane in massive IIA supergravity.

Accelerating monoenergetic protons from ultrathin foils by flat-top laser pulses in the directed-Coulomb-explosion regime

PubMed Central

Bulanov, S. S.; Brantov, A.; Bychenkov, V. Yu.; Chvykov, V.; Kalinchenko, G.; Matsuoka, T.; Rousseau, P.; Reed, S.; Yanovsky, V.; Litzenberg, D. W.; Krushelnick, K.; Maksimchuk, A.

2008-01-01

We consider the effect of laser beam shaping on proton acceleration in the interaction of a tightly focused pulse with ultrathin double-layer solid targets in the regime of directed Coulomb explosion. In this regime, the heavy ions of the front layer are forced by the laser to expand predominantly in the direction of the pulse propagation, forming a moving longitudinal charge separation electric field, thus increasing the effectiveness of acceleration of second-layer protons. The utilization of beam shaping, namely, the use of flat-top beams, leads to more efficient proton acceleration due to the increase of the longitudinal field. PMID:18850951

Experimental study of uniaxial stress effects on Coulomb-limited mobility in p-type metal-oxide-semiconductor field-effect transistors

NASA Astrophysics Data System (ADS)

Kobayashi, Shigeki; Saitoh, Masumi; Nakabayashi, Yukio; Uchida, Ken

2007-11-01

Uniaxial stress effects on Coulomb-limited mobility (μCoulomb) in Si metal-oxide-semiconductor field-effect transistors (MOSFETs) are investigated experimentally. By using the four-point bending method, uniaxial stress corresponding to 0.1% strain is applied to MOSFETs along the channel direction. It is found that μCoulomb in p-type MOSFETs is enhanced greatly by uniaxial stress; μCoulomb is as sensitive as phonon-limited mobility. The high sensitivity of μCoulomb in p-type MOSFETs to stress arises from the stress-induced change of hole effective mass.

Observations of Static Coulomb Stress Triggering During the Mw 5.7 Pawnee Earthquake Sequence

NASA Astrophysics Data System (ADS)

Pennington, C.; Chen, X.; Nakata, N.; Chang, J. C.

2016-12-01

The Pawnee earthquake occurred at 12:02 UTC on September 3 and was felt throughout Oklahoma and is the largest event recorded in Oklahoma instrumented history. The earthquake occurred near the junction of two previously mapped faults (Watchorn Fault and Labette Fault), but the actual fault that ruptured was a left-lateral unmapped basement fault (now known as the Sooner Lake Fault) with a strike of 107°, which is conjugate to a segment of the Labette fault that is optimally oriented (referred as OOF). We located 634 events from both before and after the mainshock (updated on September 15, 2016) and use these locations to map other seismogenic faults in the area. Examining the catalog, we found two episodes of seismicity, which started at 100 days and 40 days prior to mainshock, each episode has two clusters occurring two days apart on both OOF and near the mainshock. The near-simultaneous occurrence of clusters suggests possible stress interaction between the Sooner Lake Fault and the Labette fault. We examined the Coulomb stress changes on the surrounding faults caused by the mainshock and have found an increase of coulomb stress along the rakes of mapped faults in the area, the highest being along the Sooner Lake fault and the OOF segment of the Labette fault (see fig 1). These faults experienced up to 5 bars of positive coulomb stress increase, which matched the areas that experience the most aftershocks. To better understand the effect of the coulomb stress on the aftershocks, we plan on refining the catalogs for both aftershocks over a longer period and focal mechanisms to obtain accurate nodal planes, which will be used to see how and if the aftershocks were triggered by the Coulomb stress changes. We will also examine and refine the focal mechanisms that were produced for the events that occurred both before and after the main shock to investigate Coulomb stress interaction. Fig 1. (a) Is a map of faults in the Pawnee area with the red line being the source fault, which is part of the Sooner Lake Fault (green and red line segments.) The opitimally oriented segment of the Labette Fault (OOF) is shown in blue. (b) Shows the coulomb stress change for individual rakes after the rupture along the source fault.

Pairing from dynamically screened Coulomb repulsion in bismuth

NASA Astrophysics Data System (ADS)

Ruhman, Jonathan; Lee, Patrick A.

2017-12-01

Recently, Prakash et al. have discovered bulk superconductivity in single crystals of bismuth, which is a semimetal with extremely low carrier density. At such low density, we argue that conventional electron-phonon coupling is too weak to be responsible for the binding of electrons into Cooper pairs. We study a dynamically screened Coulomb interaction with effective attraction generated on the scale of the collective plasma modes. We model the electronic states in bismuth to include three Dirac pockets with high velocity and one hole pocket with a significantly smaller velocity. We find a weak-coupling instability, which is greatly enhanced by the presence of the hole pocket. Therefore we argue that bismuth is the first material to exhibit superconductivity driven by retardation effects of Coulomb repulsion alone. By using realistic parameters for bismuth we find that the acoustic plasma mode does not play the central role in pairing. We also discuss a matrix element effect, resulting from the Dirac nature of the conduction band, which may affect Tc in the s -wave channel without breaking time-reversal symmetry.

The exact solution of a four-body Coulomb problem

NASA Astrophysics Data System (ADS)

Ray, Hasi

2018-03-01

The elastic collision between two H-like atoms utilizing an ab initio static-exchange model (SEM) in the center of mass (CM) frame considering the system as a four-body Coulomb problem where all the Coulomb interaction terms in the direct and exchange channels are treated exactly, is studied thoroughly. A coupled-channel methodology in momentum space is used to solve Lippman-Schwinger equation following the integral approach. The new SEM code [Ray, Pramana 83, 907 (2014)] in which the Born-Oppenheimer (BO) scattering amplitude acts as input to derive the SEM amplitude using partial wave analysis, is utilized to study the s-, p-, d-wave elastic phase shifts and the corresponding partial cross sections. An augmented-Born approximation is used to include the contribution of higher partial waves more accurately to determine the total/integrated elastic cross sections. The effective range theory is used to determine the scattering lengths and effective ranges in the s-wave elastic scattering. The systems studied are Ps-Ps, Ps-Mu, Ps-H, Ps-D, Ps-T, Mu-Mu, Mu-H, Mu-D, Mu-T, H-H, H-D, H-T, D-D, D-T, T-T. The SEM includes the non-adiabatic short-range effects due to exchange. The MSEM code [Ray, Pramana 83, 907 (2014)] is used to study the effect of the long-range van der Waals interaction due to induced dipole polarizabilities of the atoms in H(1s)-H(1s) elastic collision. The dependence of scattering length on the reduced mass of the system and the dependence of scattering length on the strength of long-range van der Waals interaction that varies with the minimum interatomic distance are observed. Contribution to the Topical Issue "Low Energy Positron and Electron Interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

Analyses of Third Order Bose-Einstein Correlation by Means of Coulomb Wave Function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Biyajima, Minoru; Mizoguchi, Takuya; Suzuki, Naomichi

2006-04-11

In order to include a correction by the Coulomb interaction in Bose-Einstein correlation (BEC), the wave function for the Coulomb scattering were introduced in the quantum optical approach to BEC in the previous work. If we formulate the amplitude written by Coulomb wave functions according to the diagram for BEC in the plane wave formulation, the formula for 3{pi} -BEC becomes simpler than that of our previous work. We re-analyze the raw data of 3{pi} -BEC by NA44 and STAR Collaborations by this formula. Results are compared with the previous ones.

Photoelectron wave function in photoionization: Plane wave or Coulomb wave? [Does photoionization of neutral targets produce Coulomb or plane waves?

DOE PAGES

Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi; ...

2015-10-28

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectronmore » wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. Finally, the results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.« less

Influence of long-range Coulomb interaction in velocity map imaging.

PubMed

Barillot, T; Brédy, R; Celep, G; Cohen, S; Compagnon, I; Concina, B; Constant, E; Danakas, S; Kalaitzis, P; Karras, G; Lépine, F; Loriot, V; Marciniak, A; Predelus-Renois, G; Schindler, B; Bordas, C

2017-07-07

The standard velocity-map imaging (VMI) analysis relies on the simple approximation that the residual Coulomb field experienced by the photoelectron ejected from a neutral or ion system may be neglected. Under this almost universal approximation, the photoelectrons follow ballistic (parabolic) trajectories in the externally applied electric field, and the recorded image may be considered as a 2D projection of the initial photoelectron velocity distribution. There are, however, several circumstances where this approximation is not justified and the influence of long-range forces must absolutely be taken into account for the interpretation and analysis of the recorded images. The aim of this paper is to illustrate this influence by discussing two different situations involving isolated atoms or molecules where the analysis of experimental images cannot be performed without considering long-range Coulomb interactions. The first situation occurs when slow (meV) photoelectrons are photoionized from a neutral system and strongly interact with the attractive Coulomb potential of the residual ion. The result of this interaction is the formation of a more complex structure in the image, as well as the appearance of an intense glory at the center of the image. The second situation, observed also at low energy, occurs in the photodetachment from a multiply charged anion and it is characterized by the presence of a long-range repulsive potential. Then, while the standard VMI approximation is still valid, the very specific features exhibited by the recorded images can be explained only by taking into consideration tunnel detachment through the repulsive Coulomb barrier.

Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. IV. Coulomb explosion of molecular heteroclusters

NASA Astrophysics Data System (ADS)

Last, Isidore; Jortner, Joshua

2004-11-01

In this paper we present a theoretical and computational study of the temporal dynamics and energetics of Coulomb explosion of (CD4)n and (CH4)n (n=55-4213) molecular heteroclusters in ultraintense (I=1016-1019W cm-2) laser fields, addressing the manifestation of electron dynamics, together with nuclear energetic and kinematic effects on the heterocluster Coulomb instability. The manifestations of the coupling between electron and nuclear dynamics were explored by molecular dynamics simulations for these heteroclusters coupled to Gaussian laser fields (pulse width τ=25 fs), elucidating outer ionization dynamics, nanoplasma screening effects (being significant for I⩽1017 W cm-2), and the attainment of cluster vertical ionization (CVI) (at I=1017 W cm-2 for cluster radius R0⩽31 Å). Nuclear kinematic effects on heterocluster Coulomb explosion are governed by the kinematic parameter η=qCmA/qAmC for (CA4)n clusters (A=H,D), where qj and mj (j=A,C) are the ionic charges and masses. Nonuniform heterocluster Coulomb explosion (η>1) manifests an overrun effect of the light ions relative to the heavy ions, exhibiting the expansion of two spatially separated subclusters, with the light ions forming the outer subcluster at the outer edge of the spatial distribution. Important features of the energetics of heterocluster Coulomb explosion originate from energetic triggering effects of the driving of the light ions by the heavy ions (C4+ for I=1017-1018W cm-2 and C6+ for I=1019 W cm-2), as well as for kinematic effects. Based on the CVI assumption, scaling laws for the cluster size (radius R0) dependence of the energetics of uniform Coulomb explosion of heteroclusters (η=1) were derived, with the size dependence of the average (Ej,av) and maximal (Ej,M) ion energies being Ej,av=aR02 and Ej,M=(5a/3)R02, as well as for the ion energy distributions P(Ej)∝Ej1/2; Ej⩽Ej,M. These results for uniform Coulomb explosion serve as benchmark reference data for the assessment of the effects of nonuniform explosion, where the CVI scaling law for the energetics still holds, with deviations of the a coefficient, which increase with increasing η. Kinematic effects (for η>1) result in an isotope effect, predicting the enhancement (by 9%-11%) of EH,av for Coulomb explosion of (C4+H4+)η (η=3) relative to ED,av for Coulomb explosion of (C4+D4+)η (η=1.5), with the isotope effect being determined by the ratio of the kinematic parameters for the pair of Coulomb exploding clusters. Kinematic effects for nonuniform explosion also result in a narrow isotope dependent energy distribution (of width ΔE) of the light ions (with ΔE/EH,av≃0.3 and ΔE/ED,av≃0.4), with the distribution peaking at the high energy edge, in marked contrast with the uniform explosion case. Features of laser-heterocluster interactions were inferred from the analyses of the intensity dependent boundary radii (R0)I and the corresponding average D+ ion energies (ED,av)I, which provide a measure for optimization of the cluster size at intensity I for the neutron yield from dd nuclear fusion driven by Coulomb explosion (NFDCE) of these heteroclusters. We infer on the advantage of deuterium containing heteronuclear clusters, e.g., (CD4)n in comparison to homonuclear clusters, e.g., (D2)n/2, for dd NFDCE, where the highly charged heavy ions (e.g., C4+ or C6+) serve as energetic and kinematic triggers driving the D+ ions to a high (10-200 keV) energy domain.

Conservation laws, vertex corrections, and screening in Raman spectroscopy

NASA Astrophysics Data System (ADS)

Maiti, Saurabh; Chubukov, Andrey V.; Hirschfeld, P. J.

2017-07-01

We present a microscopic theory for the Raman response of a clean multiband superconductor, with emphasis on the effects of vertex corrections and long-range Coulomb interaction. The measured Raman intensity, R (Ω ) , is proportional to the imaginary part of the fully renormalized particle-hole correlator with Raman form factors γ (k ⃗) . In a BCS superconductor, a bare Raman bubble is nonzero for any γ (k ⃗) and diverges at Ω =2 Δmax , where Δmax is the largest gap along the Fermi surface. However, for γ (k ⃗) = constant, the full R (Ω ) is expected to vanish due to particle number conservation. It was sometimes stated that this vanishing is due to the singular screening by long-range Coulomb interaction. In our general approach, we show diagrammatically that this vanishing actually holds due to vertex corrections from the same short-range interaction that gives rise to superconductivity. We further argue that long-range Coulomb interaction does not affect the Raman signal for any γ (k ⃗) . We argue that vertex corrections eliminate the divergence at 2 Δmax . We also argue that vertex corrections give rise to sharp peaks in R (Ω ) at Ω <2 Δmin (the minimum gap along the Fermi surface), when Ω coincides with the frequency of one of the collective modes in a superconductor, e.g., Leggett and Bardasis-Schrieffer modes in the particle-particle channel, and an excitonic mode in the particle-hole channel.

Monte Carlo Calculations of F-region Incoherent Radar Spectra at High Latitudes: the Effect of O+-O+ Coulomb Collisions

NASA Astrophysics Data System (ADS)

Barghouthi, I.; Barakat, A.

We have used Monte Carlo simulations of O+ velocity distributions in the high latitude F-region to improve the calculation of incoherent radar spectra in auroral ionosphere. The Monte Carlo simulation includes ion-neutral O+ -- O resonant charge exchange and polarization interactions as well as Coulomb self-collisions O+ -- O+. At a few hundreds kilometers of altitude, atomic oxygen O and atomic oxygen ion O+ dominate the composition of the auroral ionosphere and, consequently, the influence of O+ -- O+ Coulomb collisions becomes significant. In this study we consider the effect of O+ -- O+ collisions on the incoherent radar spectra in the presence of large electric field (˜ 100 mVm-1). As altitude increases, (i.e. the role of O+ -- O+ becomes significant), the 1-D O+ ion velocity distribution function becomes more Maxwellian and the features of the radar spectrum corresponding to non-Maxwellian ion velocity distribution (e.g. baby bottle and triple hump shapes) evolve to Maxwellian ion velocity distribution (single and double hump shapes). Therefore, O+ -- O+ Coulomb collisions act to istropize the 1-D O+ velocity distribution, and modify the radar spectrum accordingly, by transferring thermal energy from the perpendicular direction to the parallel direction.

Gas-liquid phase coexistence and crossover behavior of binary ionic fluids with screened Coulomb interactions.

PubMed

Patsahan, O

2014-06-01

We study the effects of an interaction range on the gas-liquid phase diagram and the crossover behavior of a simple model of ionic fluids: an equimolar binary mixture of equisized hard spheres interacting through screened Coulomb potentials which are repulsive between particles of the same species and attractive between particles of different species. Using the collective variables theory, we find explicit expressions for the relevant coefficients of the effective φ{4} Ginzburg-Landau Hamiltonian in a one-loop approximation. Within the framework of this approximation, we calculate the critical parameters and gas-liquid phase diagrams for varying inverse screening length z. Both the critical temperature scaled by the Yukawa potential contact value and the critical density rapidly decrease with an increase of the interaction range (a decrease of z) and then for z<0.05 they slowly approach the values found for a restricted primitive model (RPM). We find that gas-liquid coexistence region reduces with an increase of z and completely vanishes at z≃2.78. Our results clearly show that an increase in the interaction range leads to a decrease of the crossover temperature. For z≃0.01, the crossover temperature is the same as for the RPM.

Topological resolution of gauge theory singularities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saracco, Fabio; Tomasiello, Alessandro; Torroba, Gonzalo

2013-08-21

Some gauge theories with Coulomb branches exhibit singularities in perturbation theory, which are usually resolved by nonperturbative physics. In string theory this corresponds to the resolution of timelike singularities near the core of orientifold planes by effects from F or M theory. We propose a new mechanism for resolving Coulomb branch singularities in three-dimensional gauge theories, based on Chern-Simons interactions. This is illustrated in a supersymmetric S U ( 2 ) Yang-Mills-Chern-Simons theory. We calculate the one-loop corrections to the Coulomb branch of this theory and find a result that interpolates smoothly between the high-energy metric (that would exhibit themore » singularity) and a regular singularity-free low-energy result. We suggest possible applications to singularity resolution in string theory and speculate a relationship to a similar phenomenon for the orientifold six-plane in massive IIA supergravity.« less

Dynamical approach to fusion-fission process in superheavy mass region

NASA Astrophysics Data System (ADS)

Aritomo, Y.; Hinde, D. J.; Wakhle, A.; du Rietz, R.; Dasgupta, M.; Hagino, K.; Chiba, S.; Nishio, K.

2012-10-01

In order to describe heavy-ion fusion reactions around the Coulomb barrier with an actinide target nucleus, we propose a model which combines the coupled-channels approach and a fluctuation-dissipation model for dynamical calculations. This model takes into account couplings to the collective states of the interacting nuclei in the penetration of the Coulomb barrier and the subsequent dynamical evolution of a nuclear shape from the contact configuration. In the fluctuation-dissipation model with a Langevin equation, the effect of nuclear orientation at the initial impact on the prolately deformed target nucleus is considered. Fusion-fission, quasifission and deep quasifission are separated as different Langevin trajectories on the potential energy surface. Using this model, we analyze the experimental data for the mass distribution of fission fragments (MDFF) in the reaction of 36S+238U at several incident energies around the Coulomb barrier.

Anomalous low-temperature Coulomb drag in graphene-GaAs heterostructures.

PubMed

Gamucci, A; Spirito, D; Carrega, M; Karmakar, B; Lombardo, A; Bruna, M; Pfeiffer, L N; West, K W; Ferrari, A C; Polini, M; Pellegrini, V

2014-12-19

Vertical heterostructures combining different layered materials offer novel opportunities for applications and fundamental studies. Here we report a new class of heterostructures comprising a single-layer (or bilayer) graphene in close proximity to a quantum well created in GaAs and supporting a high-mobility two-dimensional electron gas. In our devices, graphene is naturally hole-doped, thereby allowing for the investigation of electron-hole interactions. We focus on the Coulomb drag transport measurements, which are sensitive to many-body effects, and find that the Coulomb drag resistivity significantly increases for temperatures <5-10 K. The low-temperature data follow a logarithmic law, therefore displaying a notable departure from the ordinary quadratic temperature dependence expected in a weakly correlated Fermi-liquid. This anomalous behaviour is consistent with the onset of strong interlayer correlations. Our heterostructures represent a new platform for the creation of coherent circuits and topologically protected quantum bits.

Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.

PubMed

Seino, Junji; Nakai, Hiromi

2012-10-14

The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.

Stochastic acceleration of electrons. I - Effects of collisions in solar flares

NASA Technical Reports Server (NTRS)

Hamilton, Russell J.; Petrosian, Vahe

1992-01-01

Stochastic acceleration of thermal electrons to nonrelativistic energies is studied under solar flare conditions. We show that, in turbulent regions, electron-whistler wave interactions can result in the acceleration of electrons in times comparable to or shorter than the Coulomb collision time. The kinetic equation describing the evolution of the electron energy distribution including stochastic acceleration by whistlers and energy loss via Coulomb interactions is solved for an initial thermal electron energy spectrum. In general, the shape of the resulting electron distributions are characterized by the energy E(c) where systematic energy gain by turbulence equals energy loss due to Coulomb collisions. For energies less than E(c), the spectra are steep (quasi-thermal) whereas above E(c), the spectra are power laws. We find that hard X-ray spectra computed using the electron distributions obtained from our numerical simulations are able to explain the complex spectral shapes and variations observed in impulsive hard X-ray bursts. In particular, we show that the gradual steepening observed by Lin et al. (1981) could be due to a systematic increase in the density of the plasma (due to evaporation) and the increasing importance of collisions instead of the appearance of a superhot thermal component.

Control Mechanisms of the Electron Heat Flux in the Solar Wind: Observations in Comparison to Numerical Simulations

NASA Astrophysics Data System (ADS)

Stverak, S.; Hellinger, P.; Landi, S.; Travnicek, P. M.; Maksimovic, M.

2017-12-01

Recent understanding of the heat transport and dissipation in the expanding solar wind propose number of complex control mechanisms down to the electron kinetic scales. We investigate the evolution of electron heat flux properties and constraints along the expansion using in situ observations from Helios spacecraft in comparison to numerical kinetic simulations. In particular we focus on the roles of Coulomb collisions and wave-particle interactions in shaping the electron velocity distribution functions and thus controlling the heat transported by the electron heat flux. We show the general evolution of the electron heat flux to be driven namely by the Coulomb collisions. Locally we demonstrate the wave-particle interactions related to the kinetic plasma instabilities to be providing effective constraints in case of extreme heat flux levels.

First- and second-order metal-insulator phase transitions and topological aspects of a Hubbard-Rashba system

NASA Astrophysics Data System (ADS)

Marcelino, Edgar

2017-05-01

This paper considers a model consisting of a kinetic term, Rashba spin-orbit coupling and short-range Coulomb interaction at zero temperature. The Coulomb interaction is decoupled by a mean-field approximation in the spin channel using field theory methods. The results feature a first-order phase transition for any finite value of the chemical potential and quantum criticality for vanishing chemical potential. The Hall conductivity is also computed using the Kubo formula in a mean-field effective Hamiltonian. In the limit of infinite mass the kinetic term vanishes and all the phase transitions are of second order; in this case the spontaneous symmetry-breaking mechanism adds a ferromagnetic metallic phase to the system and features a zero-temperature quantization of the Hall conductivity in the insulating one.

Two dimensional graphene nanogenerator by coulomb dragging: Moving van der Waals heterostructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Huikai; Li, Xiaoqiang; Wu, Zhiqian

2015-06-15

Harvesting energy from environment is the current focus of scientific community. Here, we demonstrate a graphene nanogenerator, which is based on moving van der Waals heterostructure formed between graphene and two dimensional (2D) graphene oxide (GO). This nanogenerator can convert mechanical energy into electricity with a voltage output of around 10 mV. Systematic experiments reveal the generated electricity originates from the coulomb interaction induced momentum transfer between 2D GO and holes in graphene. 2D boron nitride was also demonstrated to be effective in the framework of moving van der Waals heterostructure nanogenerator. This investigation of nanogenerator based on the interaction betweenmore » 2D macromolecule materials will be important to understand the origin of the flow-induced potential in nanomaterials and may have great potential in practical applications.« less

Light-induced valley polarization in interacting and nonlinear Weyl semimetals

NASA Astrophysics Data System (ADS)

Bertrand, Simon; Garate, Ion; Côté, René

2017-08-01

It has been recently predicted that the interplay between Coulomb interactions and Berry curvature can produce interesting optical phenomena in topologically nontrivial two-dimensional insulators. Here, we present a theory of the interband optical absorption for three-dimensional, doped Weyl semimetals. We find that the Berry curvature, Coulomb interactions, and the nonlinearity in the single-particle energy spectrum can together enable a light-induced valley polarization. We support and supplement our numerical results with an analytical toy model calculation, which unveils topologically nontrivial Mahan excitons with nonzero vorticity.

Observation of an anisotropic Dirac cone reshaping and ferrimagnetic spin polarization in an organic conductor

PubMed Central

Hirata, Michihiro; Ishikawa, Kyohei; Miyagawa, Kazuya; Tamura, Masafumi; Berthier, Claude; Basko, Denis; Kobayashi, Akito; Matsuno, Genki; Kanoda, Kazushi

2016-01-01

The Coulomb interaction among massless Dirac fermions in graphene is unscreened around the isotropic Dirac points, causing a logarithmic velocity renormalization and a cone reshaping. In less symmetric Dirac materials possessing anisotropic cones with tilted axes, the Coulomb interaction can provide still more exotic phenomena, which have not been experimentally unveiled yet. Here, using site-selective nuclear magnetic resonance, we find a non-uniform cone reshaping accompanied by a bandwidth reduction and an emergent ferrimagnetism in tilted Dirac cones that appear on the verge of charge ordering in an organic compound. Our theoretical analyses based on the renormalization-group approach and the Hubbard model show that these observations are the direct consequences of the long-range and short-range parts of the Coulomb interaction, respectively. The cone reshaping and the bandwidth renormalization, as well as the magnetic behaviour revealed here, can be ubiquitous and vital for many Dirac materials. PMID:27578363

Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelley, Anne Myers

Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies formore » the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.« less

Coulomb stress interactions among M≥5.9 earthquakes in the Gorda deformation zone and on the Mendocino Fracture Zone, Cascadia megathrust, and northern San Andreas fault

USGS Publications Warehouse

Rollins, John C.; Stein, Ross S.

2010-01-01

The Gorda deformation zone, a 50,000 km2 area of diffuse shear and rotation offshore northernmost California, has been the site of 20 M ≥ 5.9 earthquakes on four different fault orientations since 1976, including four M ≥ 7 shocks. This is the highest rate of large earthquakes in the contiguous United States. We calculate that the source faults of six recent M ≥ 5.9 earthquakes had experienced ≥0.6 bar Coulomb stress increases imparted by earthquakes that struck less than 9 months beforehand. Control tests indicate that ≥0.6 bar Coulomb stress interactions between M ≥ 5.9 earthquakes separated by Mw = 7.3 Trinidad earthquake are consistent with the locations of M ≥ 5.9 earthquakes in the Gorda zone until at least 1995, as well as earthquakes on the Mendocino Fault Zone in 1994 and 2000. Coulomb stress changes imparted by the 1980 earthquake are also consistent with its distinct elbow-shaped aftershock pattern. From these observations, we derive generalized static stress interactions among right-lateral, left-lateral and thrust faults near triple junctions.

Alloy and heterostructure architectures as promising tools for controlling electronic properties of semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Vaxenburg, Roman; Lifshitz, Efrat

2012-02-01

Tunability of energy levels and wavefunctions of carriers in colloidal quantum dots (CQDs) has a marked effect on numerous physical aspects, such as Coulomb interactions and charge separation, which in turn has a direct impact on the functioning of CQD-based opto-electronic devices. The electronic properties of CQDs are conventionally controlled by variation of their size. Here we demonstrate a theoretical approach to engineer the electronic properties of IV-VI CQDs by introducing an alloy composition in core and core/shell heterostructures, having the general chemical formula PbSexS1-x/PbSeyS1-y (0 ≤ x ≤ 1, 0 ≤ y ≤ 1), while maintaining a constant size. The theoretical model considered an effective mass anisotropy and smooth potential step at the core/shell interface. The model revealed the influence induced by variation of chemical composition and core-to-shell division on the band-gap energy, remote states’ density, internal charge separation, electron-hole Coulomb interaction, and optical transition oscillator strength.

Role of hybridization in the superconducting properties of an extended d p Hubbard model: a detailed numerical study

NASA Astrophysics Data System (ADS)

Calegari, E. J.; Magalhães, S. G.; Gomes, A. A.

2005-04-01

The Roth's two-pole approximation has been used by the present authors to study the effects of the hybridization in the superconducting properties of a strongly correlated electron system. The model used is the extended Hubbard model which includes the d-p hybridization, the p-band and a narrow d-band. The present work is an extension of our previous work (J. Mod. Phys. B 18(2) (2004) 241). Nevertheless, some important correlation functions necessary to estimate the Roth's band shift, are included together with the temperature T and the Coulomb interaction U to describe the superconductivity. The superconducting order parameter of a cuprate system, is obtained following Beenen and Edwards formalism. Here, we investigate in detail the change of the order parameter associated to temperature, Coulomb interaction and Roth's band shift effects on superconductivity. The phase diagram with Tc versus the total occupation number nT, shows the difference respect to the previous work.

Coulomb Mediated Hybridization of Excitons in Coupled Quantum Dots.

PubMed

Ardelt, P-L; Gawarecki, K; Müller, K; Waeber, A M; Bechtold, A; Oberhofer, K; Daniels, J M; Klotz, F; Bichler, M; Kuhn, T; Krenner, H J; Machnikowski, P; Finley, J J

2016-02-19

We report Coulomb mediated hybridization of excitonic states in optically active InGaAs quantum dot molecules. By probing the optical response of an individual quantum dot molecule as a function of the static electric field applied along the molecular axis, we observe unexpected avoided level crossings that do not arise from the dominant single-particle tunnel coupling. We identify a new few-particle coupling mechanism stemming from Coulomb interactions between different neutral exciton states. Such Coulomb resonances hybridize the exciton wave function over four different electron and hole single-particle orbitals. Comparisons of experimental observations with microscopic eight-band k·p calculations taking into account a realistic quantum dot geometry show good agreement and reveal that the Coulomb resonances arise from broken symmetry in the artificial semiconductor molecule.

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model.

PubMed

Wahlberg, Nanna; Madsen, Anders Ø; Mikkelsen, Kurt V

2018-06-09

The nucleation processes of acetaminophen on poly(methyl methacrylate) and poly(vinyl acetate) have been investigated and the mechanisms of the processes are studied. This is achieved by a combination of theoretical models and computational investigations within the framework of a modified QM/MM method; a Coulomb-van der Waals model. We have combined quantum mechanical computations and electrostatic models at the atomistic level for investigating the stability of different orientations of acetaminophen on the polymer surfaces. Based on the Coulomb-van der Waals model, we have determined the most stable orientation to be a flat orientation, and the strongest interaction is seen between poly(vinyl acetate) and the molecule in a flat orientation in vacuum.

Rayleigh approximation to ground state of the Bose and Coulomb glasses

PubMed Central

Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.

2015-01-01

Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties. PMID:25592417

Nonequilibrium carrier dynamics in transition metal dichalcogenide semiconductors

NASA Astrophysics Data System (ADS)

Steinhoff, A.; Florian, M.; Rösner, M.; Lorke, M.; Wehling, T. O.; Gies, C.; Jahnke, F.

2016-09-01

When exploring new materials for their potential in (opto)electronic device applications, it is important to understand the role of various carrier interaction and scattering processes. In atomically thin transition metal dichalcogenide semiconductors, the Coulomb interaction is known to be much stronger than in quantum wells of conventional semiconductors like GaAs, as witnessed by the 50 times larger exciton binding energy. The question arises, whether this directly translates into equivalently faster carrier-carrier Coulomb scattering of excited carriers. Here we show that a combination of ab initio band-structure and many-body theory predicts Coulomb-mediated carrier relaxation on a sub-100 fs time scale for a wide range of excitation densities, which is less than an order of magnitude faster than in quantum wells.

Theory of domain patterns in systems with long-range interactions of Coulomb type.

PubMed

Muratov, C B

2002-12-01

We develop a theory of the domain patterns in systems with competing short-range attractive interactions and long-range repulsive Coulomb interactions. We take an energetic approach, in which patterns are considered as critical points of a mean-field free energy functional. Close to the microphase separation transition, this functional takes on a universal form, allowing us to treat a number of diverse physical situations within a unified framework. We use asymptotic analysis to study domain patterns with sharp interfaces. We derive an interfacial representation of the pattern's free energy which remains valid in the fluctuating system, with a suitable renormalization of the Coulomb interaction's coupling constant. We also derive integro-differential equations describing stationary domain patterns of arbitrary shapes and their thermodynamic stability, coming from the first and second variations of the interfacial free energy. We show that the length scale of a stable domain pattern must obey a certain scaling law with the strength of the Coulomb interaction. We analyzed the existence and stability of localized (spots, stripes, annuli) and periodic (lamellar, hexagonal) patterns in two dimensions. We show that these patterns are metastable in certain ranges of the parameters and that they can undergo morphological instabilities leading to the formation of more complex patterns. We discuss nucleation of the domain patterns by thermal fluctuations and pattern formation scenarios for various thermal quenches. We argue that self-induced disorder is an intrinsic property of the domain patterns in the systems under consideration.

Model-Mapped RPA for Determining the Effective Coulomb Interaction

NASA Astrophysics Data System (ADS)

Sakakibara, Hirofumi; Jang, Seung Woo; Kino, Hiori; Han, Myung Joon; Kuroki, Kazuhiko; Kotani, Takao

2017-04-01

We present a new method to obtain a model Hamiltonian from first-principles calculations. The effective interaction contained in the model is determined on the basis of random phase approximation (RPA). In contrast to previous methods such as projected RPA and constrained RPA (cRPA), the new method named "model-mapped RPA" takes into account the long-range part of the polarization effect to determine the effective interaction in the model. After discussing the problems of cRPA, we present the formulation of the model-mapped RPA, together with a numerical test for the single-band Hubbard model of HgBa2CuO4.

Effects of transverse photon exchange in helium Rydberg states - Corrections beyond the Coulomb-Breit interaction

NASA Technical Reports Server (NTRS)

Au, C. K.

1989-01-01

The Breit correction only accounts for part of the transverse photon exchange correction in the calculation of the energy levels in helium Rydberg states. The remaining leading corrections are identified and each is expressed in an effective potential form. The relevance to the Casimir correction potential in various limits is also discussed.

Particle simulation of Coulomb collisions: Comparing the methods of Takizuka and Abe and Nanbu

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Chiaming; Lin, Tungyou; Caflisch, Russel

2008-04-20

The interactions of charged particles in a plasma are governed by long-range Coulomb collision. We compare two widely used Monte Carlo models for Coulomb collisions. One was developed by Takizuka and Abe in 1977, the other was developed by Nanbu in 1997. We perform deterministic and statistical error analysis with respect to particle number and time step. The two models produce similar stochastic errors, but Nanbu's model gives smaller time step errors. Error comparisons between these two methods are presented.

On the Scattering of the Electron off the Hydrogen Atom and the Helium Ion Below and Above the Ionization Threshold: Temkin-Poet Model

NASA Astrophysics Data System (ADS)

Yarevsky, E.; Yakovlev, S. L.; Elander, N.; Volkov, M. V.

2014-08-01

We generalize here the splitting approach to the long range (Coulomb) interaction for the three body scattering problem. With this approach, the exterior complex rotation technique can be applied for systems with asymptotic Coulomb interaction. We illustrate the method with calculations of the electron scattering on the hydrogen atom and positive helium ion in the frame of the Temkin-Poet model.

Absorption, Transmission and Amplification in a Double-Cavity Optomechanical System with Coulomb-Interaction

NASA Astrophysics Data System (ADS)

Geng, H.; Liu, H. D.

2018-04-01

We explore three interesting phenomena in a double-cavity optomechanical system: coherent perfect absorption, coherent perfect transmission and output signal amplification, and find that these phenomena can be realized and controlled by the coulomb-interaction between the dissipative oscillator locates in the cavity and the gain oscillator locates outside. They originate from the efficient hybrid coupling of optical and mechanical modes, and can be used for realizing novel photonic devices in quantum information networks.

Physical interrelation between Fokker-Planck and random walk models with application to Coulomb interactions.

NASA Technical Reports Server (NTRS)

Englert, G. W.

1971-01-01

A model of the random walk is formulated to allow a simple computing procedure to replace the difficult problem of solution of the Fokker-Planck equation. The step sizes and probabilities of taking steps in the various directions are expressed in terms of Fokker-Planck coefficients. Application is made to many particle systems with Coulomb interactions. The relaxation of a highly peaked velocity distribution of particles to equilibrium conditions is illustrated.

Coulomb interaction rules timescales in potassium ion channel tunneling

NASA Astrophysics Data System (ADS)

De March, N.; Prado, S. D.; Brunnet, L. G.

2018-06-01

Assuming the selectivity filter of KcsA potassium ion channel may exhibit quantum coherence, we extend a previous model by Vaziri and Plenio (2010 New J. Phys. 12 085001) to take into account Coulomb repulsion between potassium ions. We show that typical ion transit timescales are determined by this interaction, which imposes optimal input/output parameter ranges. Also, as observed in other examples of quantum tunneling in biological systems, the addition of moderate noise helps coherent ion transport.

Determination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations

NASA Astrophysics Data System (ADS)

McConnell, J. D. C.; De Vita, A.; Kenny, S. D.; Heine, V.

Ab initio total energy calculations based on a new optimised oxygen pseudopotential has been used to determine the enthalpy of disorder for the exchange of Al and Si in tetrahedral coordination in simple derivative aluminosilicate structures based on the high temperature tridymite structure. The problem has been studied as a function of defect interaction, and defect concentration, and the results indicate that the energy for Al/Al neighbouring tetrahedra can be assigned primarily to two effects, the first, a coulombic effect, associated with the disturbed charge distribution, and the second associated with the strain related to misfit due to the very different dimensions of the Si and Al containing tetrahedra. In practice each of these effects contributes approximately 0.2 eV per Al-Al neighbour to the overal disorder enthalpy. These simple results were obtained after a careful study of possible chemical interaction between adjacent Al/Si containing tetrahedra which showed that chemical interaction was effectively absent. Since individual Al/Si tetrahedra proved to be discrete entities that are individually heavily screened by the shared oxygens it follows that coulombic and strain effects in disorder effectively account for the whole of the disorder enthalpy. The complete set of results have been used to establish new criteria for the structure and disorder enthalpies of the feldspar group of minerals and their long period derivatives.

Stress interaction between subduction earthquakes and forearc strike-slip faults: Modeling and application to the northern Caribbean plate boundary

USGS Publications Warehouse

ten Brink, Uri S.; Lin, J.

2004-01-01

Strike-slip faults in the forearc region of a subduction zone often present significant seismic hazard because of their proximity to population centers. We explore the interaction between thrust events on the subduction interface and strike-slip faults within the forearc region using three-dimensional models of static Coulomb stress change. Model results reveal that subduction earthquakes with slip vectors subparallel to the trench axis enhance the Coulomb stress on strike-slip faults adjacent to the trench but reduce the stress on faults farther back in the forearc region. In contrast, subduction events with slip vectors perpendicular to the trench axis enhance the Coulomb stress on strike-slip faults farther back in the forearc, while reducing the stress adjacent to the trench. A significant contribution to Coulomb stress increase on strike-slip faults in the back region of the forearc comes from "unclamping" of the fault, i.e., reduction in normal stress due to thrust motion on the subduction interface. We argue that although Coulomb stress changes from individual subduction earthquakes are ephemeral, their cumulative effects on the pattern of lithosphere deformation in the forearc region are significant. We use the Coulomb stress models to explain the contrasting deformation pattern between two adjacent segments of the Caribbean subduction zone. Subduction earthquakes with slip vectors nearly perpendicular to the Caribbean trench axis is dominant in the Hispaniola segment, where the strike-slip faults are more than 60 km inland from the trench. In contrast, subduction slip motion is nearly parallel to the Caribbean trench axis along the Puerto Rico segment, where the strike-slip fault is less than 15 km from the trench. This observed jump from a strike-slip fault close to the trench axis in the Puerto Rico segment to the inland faults in Hispaniola is explained by different distributions of Coulomb stress in the forearc region of the two segments, as a result of the change from the nearly trench parallel slip on the Puerto Rico subduction interface to the more perpendicular subduction slip beneath Hispaniola. The observations and modeling suggest that subduction-induced strike-slip seismic hazard to Puerto Rico may be smaller than previously assumed but the hazard to Hispaniola remains high. Copyright 2004 by the American Geophysical Union.

CubeSat Measurement and Demonstration of Coulomb Drag Effect for Deorbiting

NASA Astrophysics Data System (ADS)

2013-08-01

Deorbiting satellites by passive or active electrodynamic tether Lorentz force effect is well known. Probably less well known is that a charged conducting tether also interacts with the streaming ionospheric plasma by electrostatic Coulomb drag. Especially for the case of small satellites deorbited by thin tethers, the Coulomb drag effect can be larger than the Lorentz force effect. When a tether is optimised for Coulomb drag, the goal is only to keep it charged. The fact that the charged tether gathers current is then a side effect which can be minimised by using negative voltage and by making the tether very thin. Using negative voltage in most cases implies that one can use the satellite's conducting surface as the other electrode so that no electron or ion emitter is needed on the spacecraft for closing the circuit. Thinness of the tether is a large benefit not only from the mass saving and power consumption minimisation points of view, but also because a sufficiently thin tether (made e.g. four 25-50 micrometre thin aluminium wires) poses nearly no threat to other space assets in the even of an unwanted collision. ESTCube-1 is an Estonian 1U CubeSat which is scheduled for Vega launch in May 2013 to 680 km polar orbit. The payload of ESTCube-1 is a 10 m long Heytether made of 25-50 aluminium wires which can be charged to plus orminus 500 V by onboard voltage sources and electron gun. The mission of ESTCube-1 is to demonstrate deployment of very thin multiline (and thus micrometeoroid tolerant) tether and to measure the Coulomb drag effect on the charged tether by ionospheric plasma ram flow. The Coulomb drag has not been measured before and besides useful for deorbiting the effect can also be used to propel interplanetary spacecraft by the fast moving solar wind plasma stream. The measurement of the micronewton scale force is carried out by turning the voltage on and off in a synchronous way with the satellite's rotation and by measuring the cumulative change in the rotation rate over many spin periods. In the presentation we will give the latest update of the ESTCube-1 project as well as its follow-up Aalto-1 satellite mission.

Effects of sudden density changes in disordered superconductors and semiconductors

NASA Astrophysics Data System (ADS)

Assi, Hiba; Chaturvedi, Harshwardhan; Pleimling, Michel; Täuber, Uwe

Vortices in type-II superconductors in the presence of extended, linear defects display the strongly pinned Bose glass phase at low temperatures. This disorder-dominated thermodynamic state is characterized by suppressed lateral flux line fluctuations and very slow structural relaxation kinetics: The vortices migrate between different columnar pinning centers to minimize the mutual repulsive interactions and eventually optimize the system's pinning configuration. To monitor the flux lines' late-time structural relaxations, we employ a mapping between an effectively two-dimensional Bose glass system and a modified Coulomb glass model, originally developed to describe disordered semiconductors at low temperatures. By means of Monte Carlo simulations, we investigate the effects of the introduction of random bare site energies and sudden changes in the vortex or charge carrier density on the soft Coulomb gap that appears in the density of states due to the emerging spatial anticorrelations. The non-equilibrium relaxation properties of the Bose and Coulomb glass states and the ensuing aging kinetics are studied through the two-time density autocorrelation function and its various scaling forms. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-09ER46613.

Fast Electron Correlation Methods for Molecular Clusters without Basis Set Superposition Errors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamiya, Muneaki; Hirata, So; Valiev, Marat

2008-02-19

Two critical extensions to our fast, accurate, and easy-to-implement binary or ternary interaction method for weakly-interacting molecular clusters [Hirata et al. Mol. Phys. 103, 2255 (2005)] have been proposed, implemented, and applied to water hexamers, hydrogen fluoride chains and rings, and neutral and zwitterionic glycine–water clusters with an excellent result for an initial performance assessment. Our original method included up to two- or three-body Coulomb, exchange, and correlation energies exactly and higher-order Coulomb energies in the dipole–dipole approximation. In this work, the dipole moments are replaced by atom-centered point charges determined so that they reproduce the electrostatic potentials of themore » cluster subunits as closely as possible and also self-consistently with one another in the cluster environment. They have been shown to lead to dramatic improvement in the description of short-range electrostatic potentials not only of large, charge-separated subunits like zwitterionic glycine but also of small subunits. Furthermore, basis set superposition errors (BSSE) known to plague direct evaluation of weak interactions have been eliminated by com-bining the Valiron–Mayer function counterpoise (VMFC) correction with our binary or ternary interaction method in an economical fashion (quadratic scaling n2 with respect to the number of subunits n when n is small and linear scaling when n is large). A new variant of VMFC has also been proposed in which three-body and all higher-order Coulomb effects on BSSE are estimated approximately. The BSSE-corrected ternary interaction method with atom-centered point charges reproduces the VMFC-corrected results of conventional electron correlation calculations within 0.1 kcal/mol. The proposed method is significantly more accurate and also efficient than conventional correlation methods uncorrected of BSSE.« less

On the numerical treatment of Coulomb forces in scattering problems

NASA Astrophysics Data System (ADS)

Randazzo, J. M.; Ancarani, L. U.; Colavecchia, F. D.; Gasaneo, G.; Frapiccini, A. L.

2012-11-01

We investigate the limiting procedures to obtain Coulomb interactions from short-range potentials. The application of standard techniques used for the two-body case (exponential and sharp cutoff) to the three-body break-up problem is illustrated numerically by considering the Temkin-Poet (TP) model of e-H processes.

Sensitivity of electrospray molecular dynamics simulations to long-range Coulomb interaction models

NASA Astrophysics Data System (ADS)

Mehta, Neil A.; Levin, Deborah A.

2018-03-01

Molecular dynamics (MD) electrospray simulations of 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM-BF4) ion liquid were performed with the goal of evaluating the influence of long-range Coulomb models on ion emission characteristics. The direct Coulomb (DC), shifted force Coulomb sum (SFCS), and particle-particle particle-mesh (PPPM) long-range Coulomb models were considered in this work. The DC method with a sufficiently large cutoff radius was found to be the most accurate approach for modeling electrosprays, but, it is computationally expensive. The Coulomb potential energy modeled by the DC method in combination with the radial electric fields were found to be necessary to generate the Taylor cone. The differences observed between the SFCS and the DC in terms of predicting the total ion emission suggest that the former should not be used in MD electrospray simulations. Furthermore, the common assumption of domain periodicity was observed to be detrimental to the accuracy of the capillary-based electrospray simulations.

Sensitivity of electrospray molecular dynamics simulations to long-range Coulomb interaction models.

PubMed

Mehta, Neil A; Levin, Deborah A

2018-03-01

Molecular dynamics (MD) electrospray simulations of 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM-BF_{4}) ion liquid were performed with the goal of evaluating the influence of long-range Coulomb models on ion emission characteristics. The direct Coulomb (DC), shifted force Coulomb sum (SFCS), and particle-particle particle-mesh (PPPM) long-range Coulomb models were considered in this work. The DC method with a sufficiently large cutoff radius was found to be the most accurate approach for modeling electrosprays, but, it is computationally expensive. The Coulomb potential energy modeled by the DC method in combination with the radial electric fields were found to be necessary to generate the Taylor cone. The differences observed between the SFCS and the DC in terms of predicting the total ion emission suggest that the former should not be used in MD electrospray simulations. Furthermore, the common assumption of domain periodicity was observed to be detrimental to the accuracy of the capillary-based electrospray simulations.

Spin and Pseudospin Symmetries of Hellmann Potential with Three Tensor Interactions Using Nikiforov-Uvarov Method

NASA Astrophysics Data System (ADS)

Akpan, N. Ikot; Hassan, Hassanabadi; Tamunoimi, M. Abbey

2015-12-01

The Dirac equation with Hellmann potential is presented in the presence of Coulomb-like tensor (CLT), Yukawa-like tensor (YLT), and Hulthen-type tensor (HLT) interactions by using Nikiforov-Uvarov method. The bound state energy spectra and the radial wave functions are obtained approximately within the framework of spin and pseudospin symmetries limit. We have also reported some numerical results and figures to show the effects of the tensor interactions. Special cases of the potential are also discussed.

Rayleigh approximation to ground state of the Bose and Coulomb glasses

DOE PAGES

Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; ...

2015-01-16

Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Ourmore » findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.« less

Photoelectron wave function in photoionization: plane wave or Coulomb wave?

PubMed

Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

2015-11-19

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.

Light Bending by a Coulomb Field and the Aichelburg-Sexl Ultraboost

ERIC Educational Resources Information Center

Kozyulin, M. V.; Silagadze, Z. K.

2011-01-01

Gravitational light deflection, predicted by general relativity, is a fascinating phenomenon with numerous important applications in astronomy, astrophysics and cosmology. At first sight, there is no analogous effect in electrodynamics because Maxwell's equations are linear and, therefore, a photon does not interact with the electromagnetic field…

Interference effects on vibration-mediated tunneling through interacting degenerate molecular states.

PubMed

Zhong, X; Cao, J C

2009-07-22

We study the combined effects of quantum electronic interference and Coulomb interaction on electron transport through near-degenerate molecular states with strong electron-vibration interaction. It is found that quantum electronic interference strongly affects the current and its noise properties. In particular, destructive interference induces pronounced negative differential conductances (NDCs) accompanying the vibrational excited states, and such NDC characters are not related to asymmetric tunnel coupling and are robust to the damping of a thermal bath. In a certain transport regime, the non-equilibrium vibration distribution even shows a peculiar sub-Poissonian behavior, which is enhanced by quantum electronic interference.

On the lattice dynamics of metallic hydrogen and other Coulomb systems

NASA Technical Reports Server (NTRS)

Beck, H.; Straus, D.

1975-01-01

Numerical results for the phonon spectra of metallic hydrogen and other Coulomb systems in cubic lattices are presented. In second order in the electron-ion interaction, the behavior of the dielectric function of the interacting electron gas for arguments around the seond Fermi harmonic leads to drastic Kohn anomalies and even to imaginary phonon frequencies. Third-order band-structure corrections are also calculated. Properties of self-consistent phonons and the validity of the adiabatic approximation are discussed.

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

Plasma-screening effects on the electron-impact excitation of hydrogenic ions in dense plasmas

NASA Technical Reports Server (NTRS)

Jung, Young-Dae

1993-01-01

Plasma-screening effects are investigated on electron-impact excitation of hydrogenic ions in dense plasmas. Scaled cross sections Z(exp 4) sigma for 1s yields 2s and 1s yields 2p are obtained for a Debye-Hueckel model of the screened Coulomb interaction. Ground and excited bound wave functions are modified in the screened Coulomb potential (Debye-Hueckel model) using the Ritz variation method. The resulting atomic wave functions and their eigenenergies agree well with the numerical and high-order perturbation theory calculations for the interesting domain of the Debye length not less than 10. The Born approximation is used to describe the continuum states of the projectile electron. Plasma screening effects on the atomic electrons cannot be neglected in the high-density cases. Including these effects, the cross sections are appreciably increased for 1s yields 2s transitions and decreased for 1s yields 2p transitions.

Effects of interdot hopping and Coulomb blockade on the thermoelectric properties of serially coupled quantum dots

PubMed Central

2012-01-01

We have theoretically studied the thermoelectric properties of serially coupled quantum dots (SCQDs) embedded in an insulator connected to metallic electrodes. In the framework of Keldysh Green’s function technique, the Landauer formula of transmission factor is obtained using the equation of motion method. Based on such analytical expressions of charge and heat currents, we calculate the electrical conductance, Seebeck coefficient, electron thermal conductance, and figure of merit (ZT) of SCQDs in the linear response regime. The effects of interdot hopping and electron Coulomb interactions on ZT are analyzed. We demonstrate that ZT is not a monotonic increasing function of interdot electron hopping strength (tc). We also show that in the absence of phonon thermal conductance, SCQD can reach the Carnot efficiency as tcapproaches zero. PMID:22591807

Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, He; Luo, Li -Shi; Li, Rui

To compute the non-oscillating mutual interaction for a systems with N points, the fast multipole method (FMM) has an efficiency that scales linearly with the number of points. Specifically, for Coulomb interaction, FMM can be constructed using either the spherical harmonic functions or the totally symmetric Cartesian tensors. In this paper, we will present that the effciency of the Cartesian tensor-based FMM for the Coulomb interaction can be significantly improved by implementing the traces of the Cartesian tensors in calculation to reduce the independent elements of the n-th rank totally symmetric Cartesian tensor from (n + 1)(n + 2)=2 tomore » 2n + 1. The computation complexity for the operations in FMM are analyzed and expressed as polynomials of the highest rank of the Cartesian tensors. For most operations, the complexity is reduced by one order. Numerical examples regarding the convergence and the effciency of the new algorithm are demonstrated. As a result, a reduction of computation time up to 50% has been observed for a moderate number of points and rank of tensors.« less

Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

DOE PAGES

Huang, He; Luo, Li -Shi; Li, Rui; ...

2018-05-17

To compute the non-oscillating mutual interaction for a systems with N points, the fast multipole method (FMM) has an efficiency that scales linearly with the number of points. Specifically, for Coulomb interaction, FMM can be constructed using either the spherical harmonic functions or the totally symmetric Cartesian tensors. In this paper, we will present that the effciency of the Cartesian tensor-based FMM for the Coulomb interaction can be significantly improved by implementing the traces of the Cartesian tensors in calculation to reduce the independent elements of the n-th rank totally symmetric Cartesian tensor from (n + 1)(n + 2)=2 tomore » 2n + 1. The computation complexity for the operations in FMM are analyzed and expressed as polynomials of the highest rank of the Cartesian tensors. For most operations, the complexity is reduced by one order. Numerical examples regarding the convergence and the effciency of the new algorithm are demonstrated. As a result, a reduction of computation time up to 50% has been observed for a moderate number of points and rank of tensors.« less

Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

NASA Astrophysics Data System (ADS)

Rodgers, Jocelyn M.; Weeks, John D.

2009-12-01

Coulomb interactions are present in a wide variety of all-atom force fields. Spherical truncations of these interactions permit fast simulations but are problematic due to their incorrect thermodynamics. Herein we demonstrate that simple analytical corrections for the thermodynamics of uniform truncated systems are possible. In particular, results for the simple point charge/extended (SPC/E) water model treated with spherically truncated Coulomb interactions suggested by local molecular field theory [J. M. Rodgers and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 105, 19136 (2008)] are presented. We extend the results developed by Chandler [J. Chem. Phys. 65, 2925 (1976)] so that we may treat the thermodynamics of mixtures of flexible charged and uncharged molecules simulated with spherical truncations. We show that the energy and pressure of spherically truncated bulk SPC/E water are easily corrected using exact second-moment-like conditions on long-ranged structure. Furthermore, applying the pressure correction as an external pressure removes the density errors observed by other research groups in NPT simulations of spherically truncated bulk species.

Superconducting Polarons and Bipolarons

NASA Astrophysics Data System (ADS)

Alexandrov, A. S.

The seminal work by Bardeen, Cooper and Schrieffer (BCS) extended further by Eliashberg to the intermediate coupling regime solved one of the major scientific problems of Condensed Matter Physics in the last century. The BCS theory provides qualitative and in many cases quantitative descriptions of low-temperature superconducting metals and their alloys, and some novel high-temperature superconductors like magnesium diboride. The theory has been extended by us to the strong-coupling regime where carriers are small lattice polarons and bipolarons. Here I review the multi-polaron strong-coupling theory of superconductivity. Attractive electron correlations, prerequisite to any superconductivity, are caused by an almost unretarded electron-phonon (e-ph) interaction sufficient to overcome the direct Coulomb repulsion in this regime. Low energy physics is that of small polarons and bipolarons, which are real-space electron (hole) pairs dressed by phonons. They are itinerant quasiparticles existing in the Bloch states attemperatures below the characteristic phonon frequency. Since there is almost no retardation (i.e. no Tolmachev-Morel-Anderson logarithm) reducing the Coulomb repulsion, e-ph interactions should be relatively strong to overcome the direct Coulomb repulsion, so carriers mustbe polaronic to form pairs in novel superconductors. I identify the long-range Fröhlich electron-phonon interaction as the most essential for pairing in superconducting cuprates. A number of key observations have been predicted or explained with polarons and bipolarons including unusual isotope effects and upper critical fields, normal state (pseudo)gaps and kinetic properties, normal state diamagnetism, and giant proximity effects. These and many other observations provide strong evidence for a novel state of electronic matter in layered cuprates, which is a charged Bose-liquid of small mobile bipolarons.

The ‘non-Coulombic’ character of classical electrostatic interaction between charges near interfaces

NASA Astrophysics Data System (ADS)

Gabovich, A. M.; Voitenko, A. I.

2018-07-01

The textbook problem of classical electrostatics concerning the charge–charge interaction energy W in a two-layer system is revisited. In particular, the actual dependence of W on the horizontal distance L between the charges located at the same distance x from the interface is shown to substantially differ from the original Coulomb law due to image charges. The deviations are governed by the ratio L/x and the ratio between the dielectric constants of adjacent media. Thus, the dependence W(L) is never conventionally Coulombic (∼L ‑1) and may even be close to a dipole–dipole one (∼L ‑3). Although these results are implicitly contained in the well-known formulas, they are often overlooked while teaching electrostatics. The results are of interest not only from a purely academic viewpoint but are important for modern surface science, where the electrostatic contribution to the ion–ion interaction is often treated as Coulombic without any reservations.

Magnetic field manipulation of spin current in a single-molecule magnet tunnel junction with two-electron Coulomb interaction

NASA Astrophysics Data System (ADS)

Zhang, Chao; Yao, Hui; Nie, Yi-Hang; Liang, Jiu-Qing; Niu, Peng-Bin

2018-04-01

In this work, we study the generation of spin-current in a single-molecule magnet (SMM) tunnel junction with Coulomb interaction of transport electrons and external magnetic field. In the absence of field the spin-up and -down currents are symmetric with respect to the initial polarizations of molecule. The existence of magnetic field breaks the time-reversal symmetry, which leads to unsymmetrical spin currents of parallel and antiparallel polarizations. Both the amplitude and polarization direction of spin current can be controlled by the applied magnetic field. Particularly when the magnetic field increases to a certain value the spin-current with antiparallel polarization is reversed along with the magnetization reversal of the SMM. The two-electron occupation indeed enhances the transport current compared with the single-electron process. However the increase of Coulomb interaction results in the suppression of spin-current amplitude at the electron-hole symmetry point. We propose a scheme to compensate the suppression with the magnetic field.

Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. IV. Coulomb explosion of molecular heteroclusters.

PubMed

Last, Isidore; Jortner, Joshua

2004-11-01

In this paper we present a theoretical and computational study of the temporal dynamics and energetics of Coulomb explosion of (CD4)(n) and (CH4)(n) (n=55-4213) molecular heteroclusters in ultraintense (I=10(16)-10(19) W cm(-2)) laser fields, addressing the manifestation of electron dynamics, together with nuclear energetic and kinematic effects on the heterocluster Coulomb instability. The manifestations of the coupling between electron and nuclear dynamics were explored by molecular dynamics simulations for these heteroclusters coupled to Gaussian laser fields (pulse width tau=25 fs), elucidating outer ionization dynamics, nanoplasma screening effects (being significant for I< or =10(17) W cm(-2)), and the attainment of cluster vertical ionization (CVI) (at I=10(17) W cm(-2) for cluster radius R(0)< or =31 A). Nuclear kinematic effects on heterocluster Coulomb explosion are governed by the kinematic parameter eta=q(C)m(A)/q(A)m(C) for (CA(4))(n) clusters (A=H,D), where q(j) and m(j) (j=A,C) are the ionic charges and masses. Nonuniform heterocluster Coulomb explosion (eta >1) manifests an overrun effect of the light ions relative to the heavy ions, exhibiting the expansion of two spatially separated subclusters, with the light ions forming the outer subcluster at the outer edge of the spatial distribution. Important features of the energetics of heterocluster Coulomb explosion originate from energetic triggering effects of the driving of the light ions by the heavy ions (C(4+) for I=10(17)-10(18) W cm(-2) and C(6+) for I=10(19) W cm(-2)), as well as for kinematic effects. Based on the CVI assumption, scaling laws for the cluster size (radius R(0)) dependence of the energetics of uniform Coulomb explosion of heteroclusters (eta=1) were derived, with the size dependence of the average (E(j,av)) and maximal (E(j,M)) ion energies being E(j,av)=aR(0) (2) and E(j,M)=(5a/3)R(0) (2), as well as for the ion energy distributions P(E(j)) proportional to E(j) (1/2); E(j)< or =E(j,M). These results for uniform Coulomb explosion serve as benchmark reference data for the assessment of the effects of nonuniform explosion, where the CVI scaling law for the energetics still holds, with deviations of the a coefficient, which increase with increasing eta. Kinematic effects (for eta>1) result in an isotope effect, predicting the enhancement (by 9%-11%) of E(H,av) for Coulomb explosion of (C(4+)H(4) (+))(eta) (eta=3) relative to E(D,av) for Coulomb explosion of (C(4+)D(4) (+))(eta) (eta=1.5), with the isotope effect being determined by the ratio of the kinematic parameters for the pair of Coulomb exploding clusters. Kinematic effects for nonuniform explosion also result in a narrow isotope dependent energy distribution (of width DeltaE) of the light ions (with DeltaE/E(H,av) approximately 0.3 and DeltaE/E(D,av) approximately 0.4), with the distribution peaking at the high energy edge, in marked contrast with the uniform explosion case. Features of laser-heterocluster interactions were inferred from the analyses of the intensity dependent boundary radii (R(0))(I) and the corresponding average D+ ion energies (E(D,av))(I), which provide a measure for optimization of the cluster size at intensity I for the neutron yield from dd nuclear fusion driven by Coulomb explosion (NFDCE) of these heteroclusters. We infer on the advantage of deuterium containing heteronuclear clusters, e.g., (CD4)(n) in comparison to homonuclear clusters, e.g., (D2)(n/2), for dd NFDCE, where the highly charged heavy ions (e.g., C4+ or C6+) serve as energetic and kinematic triggers driving the D+ ions to a high (10-200 keV) energy domain. (c) 2004 American Institute of Physics.

Direct processes in 54-MeV Li-7 breakup reactions on C-12 and Au-197 targets, and the extraction of astrophysical cross sections

NASA Astrophysics Data System (ADS)

Gazes, S. B.; Mason, J. E.; Roberts, R. B.; Teichmann, S. G.

1992-01-01

Strong direct processes were observed for elastic breakup in 54-MeV Li-7 + C-12, Au-197 reactions. In the case of C-12, the observed Li-7 to alpha + t direct-breakup yield was significantly larger than predicted by a Coulomb-breakup calculation, indicating the importance of the nuclear field. For Au-197, final-state interactions produced a strong distortion in the fragment energy spectra, as well as a modulation of the coincidence efficiency for different detector geometries. Such Coulomb effects are found to severely complicate the extraction of radiative-capture cross sections from direct-breakup data.

Dressed ion theory of size-asymmetric electrolytes: effective ionic charges and the decay length of screened Coulomb potential and pair correlations.

PubMed

Forsberg, Björn; Ulander, Johan; Kjellander, Roland

2005-02-08

The effects of ionic size asymmetry on long-range electrostatic interactions in electrolyte solutions are investigated within the primitive model. Using the formalism of dressed ion theory we analyze correlation functions from Monte Carlo simulations and the hypernetted chain approximation for size asymmetric 1:1 electrolytes. We obtain decay lengths of the screened Coulomb potential, effective charges of ions, and effective permittivity of the solution. It is found that the variation of these quantities with the degree of size asymmetry depends in a quite intricate manner on the interplay between the electrostatic coupling and excluded volume effects. In most cases the magnitude of the effective charge of the small ion species is larger than that of the large species; the difference increases with increasing size asymmetry. The effective charges of both species are larger (in absolute value) than the bare ionic charge, except for high asymmetry where the effective charge of the large ions can become smaller than the bare charge.

Particle Simulation of Coulomb Collisions: Comparing the Methods of Takizuka & Abe and Nanbu

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, C; Lin, T; Caflisch, R

2007-05-22

The interactions of charged particles in a plasma are in a plasma is governed by the long-range Coulomb collision. We compare two widely used Monte Carlo models for Coulomb collisions. One was developed by Takizuka and Abe in 1977, the other was developed by Nanbu in 1997. We perform deterministic and stochastic error analysis with respect to particle number and time step. The two models produce similar stochastic errors, but Nanbu's model gives smaller time step errors. Error comparisons between these two methods are presented.

Low-lying electric-dipole strengths of Ca, Ni, and Sn isotopes imprinted on total reaction cross sections

NASA Astrophysics Data System (ADS)

Horiuchi, W.; Hatakeyama, S.; Ebata, S.; Suzuki, Y.

2017-08-01

Low-lying electric-dipole (E 1 ) strength of a neutron-rich nucleus contains information on neutron-skin thickness, deformation, and shell evolution. We discuss the possibility of making use of total reaction cross sections on 40Ca, 120Sn, and 208Pb targets to probe the E 1 strength of neutron-rich Ca, Ni, and Sn isotopes. They exhibit large enhancement of the E 1 strength at neutron number N >28 , 50, and 82, respectively, due to a change of the single-particle orbits near the Fermi surface participating in the transitions. The density distributions and the electric-multipole strength functions of those isotopes are calculated by the Hartree-Fock+BCS and the canonical-basis-time-dependent-Hartree-Fock-Bogoliubov methods, respectively, using three kinds of Skyrme-type effective interaction. The nuclear and Coulomb breakup processes are respectively described with the Glauber model and the equivalent photon method in which the effect of finite-charge distribution is taken into account. The three Skyrme interactions give different results for the total reaction cross sections because of different Coulomb breakup contributions. The contribution of the low-lying E 1 strength is amplified when the low-incident energy is chosen. With an appropriate choice of the incident energy and target nucleus, the total reaction cross section can be complementary to the Coulomb excitation for analyzing the low-lying E 1 strength of unstable nuclei.

Imaginary parts of coupled electron and phonon propagators

NASA Astrophysics Data System (ADS)

Schwartzman, K.; Lawrence, W. E.

1988-01-01

Quasiparticle and phonon damping rates due to the electron-phonon and Coulomb interactions are obtained directly from the self-energy formalism of strong-coupling theory. This accounts for all processes involving phonon or quasiparticle decay into a single particle-hole pair, or quasiparticle decay by emission or absorption of a single real phonon. The two quasiparticle decay modes are treated on a common footing, without ad hoc separation, by accounting fully for the dynamics of the phonon propagator and the Coulomb vertex-the latter by expansion of the four-point Coulomb vertex function. The results are shown to be expressible in terms of only the physical (i.e., fully renormalized) energies and coupling constants, and are written in terms of spectral functions such as α2F(ω) and its generalizations. Expansion of these in powers of a phonon linewidth parameter distinguishes (in lowest orders) between quasiparticle decay modes involving real and virtual phonons. However, the simplest prescription for calculating decay rates involves an effective scattering amplitude in which this distinction is not made.

Effect of Coulomb interaction on time of flight of cold antiprotons launched from an ion trap

NASA Technical Reports Server (NTRS)

Camp, J. B.; Witteborn, F. C.

1993-01-01

Time-of-flight spectra for Maxwell-Boltzman (MB) distributions of antiprotons initially held in an ion trap and detected after being launched through a 50-cm-long shielding drift tube have been calculated. The distributions used are of temperature 0.4-40 K, cubic length 0.003-3.0 cm, and number 10-100 particles. The mutual Coulomb repulsion of the particles causes a reduction in the number of late arrival particles expected from the MB velocity distribution. The Coulomb energy is not equally divided among the particles during the expansion. The energy is transferred preferentially to the outer particles so that the reduction in the number of slow particles is not necessarily large. The reduction factor is found to be greater than unity when the potential energy of the trapped ions is greater than about 5 percent of the ions' kinetic energy and is about 2 for the launch parameters of the Los Alamos antiproton gravity experiment.

DFMSPH14: A C-code for the double folding interaction potential of two spherical nuclei

NASA Astrophysics Data System (ADS)

Gontchar, I. I.; Chushnyakova, M. V.

2016-09-01

This is a new version of the DFMSPH code designed to obtain the nucleus-nucleus potential by using the double folding model (DFM) and in particular to find the Coulomb barrier. The new version uses the charge, proton, and neutron density distributions provided by the user. Also we added an option for fitting the DFM potential by the Gross-Kalinowski profile. The main functionalities of the original code (e.g. the nucleus-nucleus potential as a function of the distance between the centers of mass of colliding nuclei, the Coulomb barrier characteristics, etc.) have not been modified. Catalog identifier: AEFH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland. Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 7211 No. of bytes in distributed program, including test data, etc.: 114404 Distribution format: tar.gz Programming language: C Computer: PC and Mac Operation system: Windows XP and higher, MacOS, Unix/Linux Memory required to execute with typical data: below 10 Mbyte Classification: 17.9 Catalog identifier of previous version: AEFH_v1_0 Journal reference of previous version: Comp. Phys. Comm. 181 (2010) 168 Does the new version supersede the previous version?: Yes Nature of physical problem: The code calculates in a semimicroscopic way the bare interaction potential between two colliding spherical nuclei as a function of the center of mass distance. The height and the position of the Coulomb barrier are found. The calculated potential is approximated by an analytical profile (Woods-Saxon or Gross-Kalinowski) near the barrier. Dependence of the barrier parameters upon the characteristics of the effective NN forces (like, e.g. the range of the exchange part of the nuclear term) can be investigated. Method of solution: The nucleus-nucleus potential is calculated using the double folding model with the Coulomb and the effective M3Y NN interactions. For the direct parts of the Coulomb and the nuclear terms, the Fourier transform method is used. In order to calculate the exchange parts, the density matrix expansion method is applied. Typical running time: less than 1 minute. Reason for new version: Many users asked us how to implement their own density distributions in the DFMSPH. Now this option has been added. Also we found that the calculated Double-Folding Potential (DFP) is approximated more accurately by the Gross-Kalinowski (GK) profile. This option has been also added.

Cosmic ray radiography of the damaged cores of the Fukushima reactors

DOE PAGES

Borozdin, Konstantin; Greene, Steven; Lukić, Zarija; ...

2012-10-11

The passage of muons through matter is dominated by the Coulomb interaction with electrons and nuclei. The interaction with the electrons leads to continuous energy loss and stopping of the muons. The interaction with nuclei leads to angle “diffusion.” Two muon-imaging methods that use flux attenuation and multiple Coulomb scattering of cosmic-ray muons are being studied as tools for diagnosing the damaged cores of the Fukushima reactors. Here, we compare these two methods. We conclude that the scattering method can provide detailed information about the core. Lastly, attenuation has low contrast and little sensitivity to the core.

Calculation of the Coulomb Fission Cross Sections for Pb-Pb and Bi-Pb Interactions at 158 A GeV

NASA Technical Reports Server (NTRS)

Poyser, William J.; Ahern, Sean C.; Norbury, John W.; Tripathi, R. K.

2002-01-01

The Weizsacker-Williams (WW) method of virtual quanta is used to make approximate cross section calculations for peripheral relativistic heavy-ion collisions. We calculated the Coulomb fission cross sections for projectile ions of Pb-208 and Bi-209 with energies of 158 A GeV interacting with a Pb-208 target. We also calculated the electromagnetic absorption cross section for Pb-208 ion interacting as described. For comparison we use both the full WW method and a standard approximate WW method. The approximate WW method in larger cross sections compared to the more accurate full WW method.

Interplay of Coulomb interactions and disorder in three-dimensional quadratic band crossings without time-reversal symmetry and with unequal masses for conduction and valence bands

NASA Astrophysics Data System (ADS)

Mandal, Ipsita; Nandkishore, Rahul M.

2018-03-01

Coulomb interactions famously drive three-dimensional quadratic band crossing semimetals into a non-Fermi liquid phase of matter. In a previous work [Nandkishore and Parameswaran, Phys. Rev. B 95, 205106 (2017), 10.1103/PhysRevB.95.205106], the effect of disorder on this non-Fermi liquid phase was investigated, assuming that the band structure was isotropic, assuming that the conduction and valence bands had the same band mass, and assuming that the disorder preserved exact time-reversal symmetry and statistical isotropy. It was shown that the non-Fermi liquid fixed point is unstable to disorder and that a runaway flow to strong disorder occurs. In this paper, we extend that analysis by relaxing the assumption of time-reversal symmetry and allowing the electron and hole masses to differ (but continuing to assume isotropy of the low energy band structure). We first incorporate time-reversal symmetry breaking disorder and demonstrate that there do not appear any new fixed points. Moreover, while the system continues to flow to strong disorder, time-reversal-symmetry-breaking disorder grows asymptotically more slowly than time-reversal-symmetry-preserving disorder, which we therefore expect should dominate the strong-coupling phase. We then allow for unequal electron and hole masses. We show that whereas asymmetry in the two masses is irrelevant in the clean system, it is relevant in the presence of disorder, such that the `effective masses' of the conduction and valence bands should become sharply distinct in the low-energy limit. We calculate the RG flow equations for the disordered interacting system with unequal band masses and demonstrate that the problem exhibits a runaway flow to strong disorder. Along the runaway flow, time-reversal-symmetry-preserving disorder grows asymptotically more rapidly than both time-reversal-symmetry-breaking disorder and the Coulomb interaction.

Study of Electron Gas on a Neutron-Rich Nuclear Pasta

NASA Astrophysics Data System (ADS)

Ramirez-Homs, Enrique

This study used a classical molecular dynamics model to observe the role of electron gas on the formation of nuclear structures at subsaturation densities (rho < 0.015 fm-3) and low temperatures (T < 1MeV ). The simulations were performed by varying the Coulomb interaction strength on systems of isospin symmetric and asymmetric matter with periodic boundary conditions. The effect was quantified on the fragment size multiplicity, the inter-particle distance, the isospin content of the clusters, the nucleon mobility and cluster persistence, and on the nuclear structure shapes. The existence of the nuclear pasta structures was observed even with the absence of the Coulomb interaction but with a modication of the shapes formed. It was found that the presence of the electron gas tends to distribute matter more evenly, forms less compact objects, decreases the isospin content of clusters, modies the nucleon mobility, reduces the persistence and the fragment size multiplicity, but does not alter the inter-particle distance in clusters. The degree of these effects also varied on the nuclear structures and depended on their isospin content, temperature, and density.

Synthetic Superconductivity in Single-Layer Crystals

NASA Astrophysics Data System (ADS)

Levitov, Leonid; Borgnia, Dan; Lee, Patrick

2015-03-01

Electronic states in atomically thin 2D crystals are fully exposed and can couple to extrinsic degrees of freedom via long-range Coulomb interactions. Novel many-body effects in such systems can be engineered by embedding them in a polar environment. Superconducting pairing interaction induced in this way can enhance the intrinsic electron-phonon pairing mechanism. We take on this notion, which was around since the 60's (''excitonic superconductivity''), and consider synthetic superconductivity (SSC) induced in 2D crystals by a polar environment. One interesting aspect of this scenario is that Coulomb repulsion acts as superconductivity friend rather than a foe. Such repulsion-to-attraction transmutation allows to access strong-coupling superconductivity regime even when intrinsic pairing interaction is weak. We analyze pairing interaction in 2D crystals placed atop a highly polarizable dielectric with dispersive permittivity ɛ (ω) and predict that by optimizing system parameters a substantial enhancement can be achieved. We also argue that the SSC mechanism can be responsible, at least in part, for 100 K superconductivity recently observed in FeSe monolayers grown on SrTiO3 substrate, with Tc more than 10 times larger than in bulk 3D FeSe crystals, arxiv:1406.3435.

Accurate potentiometric determination of lipid membrane-water partition coefficients and apparent dissociation constants of ionizable drugs: electrostatic corrections.

PubMed

Elsayed, Mustafa M A; Vierl, Ulrich; Cevc, Gregor

2009-06-01

Potentiometric lipid membrane-water partition coefficient studies neglect electrostatic interactions to date; this leads to incorrect results. We herein show how to account properly for such interactions in potentiometric data analysis. We conducted potentiometric titration experiments to determine lipid membrane-water partition coefficients of four illustrative drugs, bupivacaine, diclofenac, ketoprofen and terbinafine. We then analyzed the results conventionally and with an improved analytical approach that considers Coulombic electrostatic interactions. The new analytical approach delivers robust partition coefficient values. In contrast, the conventional data analysis yields apparent partition coefficients of the ionized drug forms that depend on experimental conditions (mainly the lipid-drug ratio and the bulk ionic strength). This is due to changing electrostatic effects originating either from bound drug and/or lipid charges. A membrane comprising 10 mol-% mono-charged molecules in a 150 mM (monovalent) electrolyte solution yields results that differ by a factor of 4 from uncharged membranes results. Allowance for the Coulombic electrostatic interactions is a prerequisite for accurate and reliable determination of lipid membrane-water partition coefficients of ionizable drugs from potentiometric titration data. The same conclusion applies to all analytical methods involving drug binding to a surface.

Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

2010-03-01

Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

Instability of the sliding Luttinger liquid

NASA Astrophysics Data System (ADS)

Fleurov, V.; Kagalovsky, V.; Lerner, I. V.; Yurkevich, I. V.

2018-05-01

We revise a phase diagram for the sliding Luttinger liquid (SLL) of coupled one-dimensional quantum wires packed in two- or three-dimensional arrays in the absence of a magnetic field. We analyse whether physically justifiable (reasonable) inter-wire interactions, i.e. either the screened Coulomb or ‘Coulomb-blockade’ type interactions, stabilise the SLL phase. Calculating the scaling dimensions of the most relevant perturbations (the inter-wire single-particle hybridisation, charge-density wave, and superconducting inter-wire couplings), we find that their combination always destroys the SLL phase for the repulsive intra-wire interaction. However, suppressing the inter-wire tunnelling of repulsive fermions (when the charge-density wave is the only remaining perturbation), one can observe a stability region emerging due to the inter-wire forward scattering interaction.

Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse.

PubMed

Takanashi, Tsukasa; Nakamura, Kosuke; Kukk, Edwin; Motomura, Koji; Fukuzawa, Hironobu; Nagaya, Kiyonobu; Wada, Shin-Ichi; Kumagai, Yoshiaki; Iablonskyi, Denys; Ito, Yuta; Sakakibara, Yuta; You, Daehyun; Nishiyama, Toshiyuki; Asa, Kazuki; Sato, Yuhiro; Umemoto, Takayuki; Kariyazono, Kango; Ochiai, Kohei; Kanno, Manabu; Yamazaki, Kaoru; Kooser, Kuno; Nicolas, Christophe; Miron, Catalin; Asavei, Theodor; Neagu, Liviu; Schöffler, Markus; Kastirke, Gregor; Liu, Xiao-Jing; Rudenko, Artem; Owada, Shigeki; Katayama, Tetsuo; Togashi, Tadashi; Tono, Kensuke; Yabashi, Makina; Kono, Hirohiko; Ueda, Kiyoshi

2017-08-02

Coulomb explosion of diiodomethane CH 2 I 2 molecules irradiated by ultrashort and intense X-ray pulses from SACLA, the Japanese X-ray free electron laser facility, was investigated by multi-ion coincidence measurements and self-consistent charge density-functional-based tight-binding (SCC-DFTB) simulations. The diiodomethane molecule, containing two heavy-atom X-ray absorbing sites, exhibits a rather different charge generation and nuclear motion dynamics compared to iodomethane CH 3 I with only a single heavy atom, as studied earlier. We focus on charge creation and distribution in CH 2 I 2 in comparison to CH 3 I. The release of kinetic energy into atomic ion fragments is also studied by comparing SCC-DFTB simulations with the experiment. Compared to earlier simulations, several key enhancements are made, such as the introduction of a bond axis recoil model, where vibrational energy generated during charge creation processes induces only bond stretching or shrinking. We also propose an analytical Coulomb energy partition model to extract the essential mechanism of Coulomb explosion of molecules from the computed and the experimentally measured kinetic energies of fragment atomic ions by partitioning each pair Coulomb interaction energy into two ions of the pair under the constraint of momentum conservation. Effective internuclear distances assigned to individual fragment ions at the critical moment of the Coulomb explosion are then estimated from the average kinetic energies of the ions. We demonstrate, with good agreement between the experiment and the SCC-DFTB simulation, how the more heavily charged iodine fragments and their interplay define the characteristic features of the Coulomb explosion of CH 2 I 2 . The present study also confirms earlier findings concerning the magnitude of bond elongation in the ultrashort X-ray pulse duration, showing that structural damage to all but C-H bonds does not develop to a noticeable degree in the pulse length of ∼10 fs.

Correlated scattering states of N-body Coulomb systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berakdar, J.

1997-03-01

For N charged particles of equal masses moving in the field of a heavy residual charge, an approximate analytical solution of the many-body time-independent Schr{umlt o}dinger equation is derived at a total energy above the complete fragmentation threshold. All continuum particles are treated on equal footing. The proposed correlated wave function represents, to leading order, an exact solution of the many-body Schr{umlt o}dinger equation in the asymptotic region defined by large interparticle separations. Thus, in this asymptotic region the N-body Coulomb modifications to the plane-wave motion of free particles are rigorously estimated. It is shown that the Kato cusp conditionsmore » are satisfied by the derived wave function at all two-body coalescence points. An expression of the normalization of this wave function is also given. To render possible the calculations of scattering amplitudes for transitions leading to a four-body scattering state, an effective-charge method is suggested in which the correlations between the continuum particles are completely subsumed into effective interactions with the residual charge. Analytical expressions for these effective interactions are derived and discussed for physical situations. {copyright} {ital 1997} {ital The American Physical Society}« less

Quasiclassical treatment of the Auger effect in slow ion-atom collisions

NASA Astrophysics Data System (ADS)

Frémont, F.

2017-09-01

A quasiclassical model based on the resolution of Hamilton equations of motion is used to get evidence for Auger electron emission following double-electron capture in 150-keV N e10 ++He collisions. Electron-electron interaction is taken into account during the collision by using pure Coulombic potential. To make sure that the helium target is stable before the collision, phenomenological potentials for the electron-nucleus interactions that simulate the Heisenberg principle are included in addition to the Coulombic potential. First, single- and double-electron captures are determined and compared with previous experiments and theories. Then, integration time evolution is calculated for autoionizing and nonautoionizing double capture. In contrast with single capture, the number of electrons originating from autoionization slowly increases with integration time. A fit of the calculated cross sections by means of an exponential function indicates that the average lifetime is 4.4 ×10-3a .u . , in very good agreement with the average lifetime deduced from experiments and a classical model introduced to calculate individual angular momentum distributions. The present calculation demonstrates the ability of classical models to treat the Auger effect, which is a pure quantum effect.

Reorientation-effect measurement of the first 2+ state in 12C: Confirmation of oblate deformation

NASA Astrophysics Data System (ADS)

Kumar Raju, M.; Orce, J. N.; Navrátil, P.; Ball, G. C.; Drake, T. E.; Triambak, S.; Hackman, G.; Pearson, C. J.; Abrahams, K. J.; Akakpo, E. H.; Al Falou, H.; Churchman, R.; Cross, D. S.; Djongolov, M. K.; Erasmus, N.; Finlay, P.; Garnsworthy, A. B.; Garrett, P. E.; Jenkins, D. G.; Kshetri, R.; Leach, K. G.; Masango, S.; Mavela, D. L.; Mehl, C. V.; Mokgolobotho, M. J.; Ngwetsheni, C.; O'Neill, G. G.; Rand, E. T.; Sjue, S. K. L.; Sumithrarachchi, C. S.; Svensson, C. E.; Tardiff, E. R.; Williams, S. J.; Wong, J.

2018-02-01

A Coulomb-excitation reorientation-effect measurement using the TIGRESS γ-ray spectrometer at the TRIUMF/ISAC II facility has permitted the determination of the 〈 21+ ‖ E 2 ˆ ‖21+ 〉 diagonal matrix element in 12C from particle-γ coincidence data and state-of-the-art no-core shell model calculations of the nuclear polarizability. The nuclear polarizability for the ground and first-excited (21+) states in 12C have been calculated using chiral NN N4LO500 and NN+3NF350 interactions, which show convergence and agreement with photo-absorption cross-section data. Predictions show a change in the nuclear polarizability with a substantial increase between the ground state and first excited 21+ state at 4.439 MeV. The polarizability of the 21+ state is introduced into the current and previous Coulomb-excitation reorientation-effect analyses of 12C. Spectroscopic quadrupole moments of QS (21+) = + 0.053 (44) eb and QS (21+) = + 0.08 (3) eb are determined, respectively, yielding a weighted average of QS (21+) = + 0.071 (25) eb, in agreement with recent ab initio calculations. The present measurement confirms that the 21+ state of 12C is oblate and emphasizes the important role played by the nuclear polarizability in Coulomb-excitation studies of light nuclei.

Controlling coulomb interactions in infrared stereometamaterials for unity light absorption

NASA Astrophysics Data System (ADS)

Mudachathi, Renilkumar; Moritake, Yuto; Tanaka, Takuo

2018-05-01

We investigate the influence of near field interactions between the constituent 3D split ring resonators on the absorbance and resonance frequency of a stereo metamaterial based perfect light absorber. The experimental and theoretical analyses reveal that the magnetic resonance red shifts and broadens for both the decreasing vertical and lateral separations of the constituents within the metamaterial lattice, analogous to plasmon hybridization. The strong interparticle interactions for higher density reduce the effective cross-section per resonator, which results in weak light absorption observed in both experimental and theoretical analyses. The red shift of the magnetic resonance with increasing lattice density is an indication of the dominating electric dipole interactions and we analyzed the metamaterial system in an electrostatic point of view to explain the observed resonance shift and decreasing absorption peak. From these analyses, we found that the fill factor introduces two competing factors determining the absorption efficiency such as coulomb interactions between the constituent resonators and their number density in a given array structure. We predicted unity light absorption for a fill factor of 0.17 balancing these two opposing factors and demonstrate an experimental absorbance of 99.5% at resonance with our 3D device realized using residual stress induced bending of 2D patterns.

Equilibrium charge distribution on a finite straight one-dimensional wire

NASA Astrophysics Data System (ADS)

Batle, Josep; Ciftja, Orion; Abdalla, Soliman; Elhoseny, Mohamed; Alkhambashi, Majid; Farouk, Ahmed

2017-09-01

The electrostatic properties of uniformly charged regular bodies are prominently discussed on college-level electromagnetism courses. However, one of the most basic problems of electrostatics that deals with how a continuous charge distribution reaches equilibrium is rarely mentioned at this level. In this work we revisit the problem of equilibrium charge distribution on a straight one-dimensional (1D) wire with finite length. The majority of existing treatments in the literature deal with the 1D wire as a limiting case of a higher-dimensional structure that can be treated analytically for a Coulomb interaction potential between point charges. Surprisingly, different models (for instance, an ellipsoid or a cylinder model) may lead to different results, thus there is even some ambiguity on whether the problem is well-posed. In this work we adopt a different approach where we do not start with any higher-dimensional body that reduces to a 1D wire in the appropriate limit. Instead, our starting point is the obvious one, a finite straight 1D wire that contains charge. However, the new tweak in the model is the assumption that point charges interact with each other via a non-Coulomb power-law interaction potential. This potential is well-behaved, allows exact analytical results and approaches the standard Coulomb interaction potential as a limit. The results originating from this approach suggest that the equilibrium charge distribution for a finite straight 1D wire is a uniform charge density when the power-law interaction potential approaches the Coulomb interaction potential as a suitable limit. We contrast such a finding to results obtained using a different regularised logarithmic interaction potential which allows exact treatment in 1D. The present self-contained material may be of interest to instructors teaching electromagnetism as well as students who will discover that simple-looking problems may sometimes pose important scientific challenges.

Attractive electron-electron interactions within robust local fitting approximations.

PubMed

Merlot, Patrick; Kjærgaard, Thomas; Helgaker, Trygve; Lindh, Roland; Aquilante, Francesco; Reine, Simen; Pedersen, Thomas Bondo

2013-06-30

An analysis of Dunlap's robust fitting approach reveals that the resulting two-electron integral matrix is not manifestly positive semidefinite when local fitting domains or non-Coulomb fitting metrics are used. We present a highly local approximate method for evaluating four-center two-electron integrals based on the resolution-of-the-identity (RI) approximation and apply it to the construction of the Coulomb and exchange contributions to the Fock matrix. In this pair-atomic resolution-of-the-identity (PARI) approach, atomic-orbital (AO) products are expanded in auxiliary functions centered on the two atoms associated with each product. Numerical tests indicate that in 1% or less of all Hartree-Fock and Kohn-Sham calculations, the indefinite integral matrix causes nonconvergence in the self-consistent-field iterations. In these cases, the two-electron contribution to the total energy becomes negative, meaning that the electronic interaction is effectively attractive, and the total energy is dramatically lower than that obtained with exact integrals. In the vast majority of our test cases, however, the indefiniteness does not interfere with convergence. The total energy accuracy is comparable to that of the standard Coulomb-metric RI method. The speed-up compared with conventional algorithms is similar to the RI method for Coulomb contributions; exchange contributions are accelerated by a factor of up to eight with a triple-zeta quality basis set. A positive semidefinite integral matrix is recovered within PARI by introducing local auxiliary basis functions spanning the full AO product space, as may be achieved by using Cholesky-decomposition techniques. Local completion, however, slows down the algorithm to a level comparable with or below conventional calculations. Copyright © 2013 Wiley Periodicals, Inc.

Coulomb and CH-π interactions in (6-4) photolyase-DNA complex dominate DNA binding and repair abilities.

PubMed

Terai, Yuma; Sato, Ryuma; Yumiba, Takahiro; Harada, Ryuhei; Shimizu, Kohei; Toga, Tatsuya; Ishikawa-Fujiwara, Tomoko; Todo, Takeshi; Iwai, Shigenori; Shigeta, Yasuteru; Yamamoto, Junpei

2018-05-14

(6-4) Photolyases ((6-4)PLs) are flavoenzymes that repair the carcinogenic UV-induced DNA damage, pyrimidine(6-4)pyrimidone photoproducts ((6-4)PPs), in a light-dependent manner. Although the reaction mechanism of DNA photorepair by (6-4)PLs has been intensively investigated, the molecular mechanism of the lesion recognition remains obscure. We show that a well-conserved arginine residue in Xenopus laevis (6-4)PL (Xl64) participates in DNA binding, through Coulomb and CH-π interactions. Fragment molecular orbital calculations estimated attractive interaction energies of -80-100 kcal mol-1 for the Coulomb interaction and -6 kcal mol-1 for the CH-π interaction, and the loss of either of them significantly reduced the affinity for (6-4)PP-containing oligonucleotides, as well as the quantum yield of DNA photorepair. From experimental and theoretical observations, we formulated a DNA binding model of (6-4)PLs. Based on the binding model, we mutated this Arg in Xl64 to His, which is well conserved among the animal cryptochromes (CRYs), and found that the CRY-type mutant exhibited reduced affinity for the (6-4)PP-containing oligonucleotides, implying the possible molecular origin of the functional diversity of the photolyase/cryptochrome superfamily.

Theoretical assessment of the disparity in the electrostatic forces between two point charges and two conductive spheres of equal radii

NASA Astrophysics Data System (ADS)

Kolikov, Kiril

2016-11-01

The Coulomb's formula for the force FC of electrostatic interaction between two point charges is well known. In reality, however, interactions occur not between point charges, but between charged bodies of certain geometric form, size and physical structure. This leads to deviation of the estimated force FC from the real force F of electrostatic interaction, thus imposing the task to evaluate the disparity. In the present paper the problem is being solved theoretically for two charged conductive spheres of equal radii and arbitrary electric charges. Assessment of the deviation is given as a function of the ratio of the distance R between the spheres centers to the sum of their radii. For the purpose, relations between FC and F derived in a preceding work of ours, are employed to generalize the Coulomb's interactions. At relatively short distances between the spheres, the Coulomb force FC, as estimated to be induced by charges situated at the centers of the spheres, differ significantly from the real force F of interaction between the spheres. In the case of zero and non-zero charge we prove that with increasing the distance between the two spheres, the force F decrease rapidly, virtually to zero values, i.e. it appears to be short-acting force.

Static and dynamic properties of two-dimensional Coulomb clusters.

PubMed

Ash, Biswarup; Chakrabarti, J; Ghosal, Amit

2017-10-01

We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional confinements across the crossover from solid- to liquid-like behaviors. While static correlations that investigate the translational and bond orientational order in the confinements show the footprints of hexatic-like phase at low temperatures, dynamics of the particles slow down considerably in this phase, reminiscent of a supercooled liquid. Using density correlations, we probe long-lived heterogeneities arising from the interplay of the irregularity in the confinement and long-range Coulomb interactions. The relaxation at multiple time scales show stretched-exponential decay of spatial correlations in irregular traps. Temperature dependence of characteristic time scales, depicting the structural relaxation of the system, show striking similarities with those observed for the glassy systems, indicating that some of the key signatures of supercooled liquids emerge in confinements with lower spatial symmetries.

Dynamical recovery of SU(2) symmetry in the mass-quenched Hubbard model

NASA Astrophysics Data System (ADS)

Du, Liang; Fiete, Gregory A.

2018-02-01

We use nonequilibrium dynamical mean-field theory with iterative perturbation theory as an impurity solver to study the recovery of SU(2) symmetry in real time following a hopping integral parameter quench from a mass-imbalanced to a mass-balanced single-band Hubbard model at half filling. A dynamical order parameter γ (t ) is defined to characterize the evolution of the system towards SU(2) symmetry. By comparing the momentum-dependent occupation from an equilibrium calculation [with the SU(2) symmetric Hamiltonian after the quench at an effective temperature] with the data from our nonequilibrium calculation, we conclude that the SU(2) symmetry recovered state is a thermalized state. Further evidence from the evolution of the density of states supports this conclusion. We find the order parameter in the weak Coulomb interaction regime undergoes an approximate exponential decay. We numerically investigate the interplay of the relevant parameters (initial temperature, Coulomb interaction strength, initial mass-imbalance ratio) and their combined effect on the thermalization behavior. Finally, we study evolution of the order parameter as the hopping parameter is changed with either a linear ramp or a pulse. Our results can be useful in strategies to engineer the relaxation behavior of interacting quantum many-particle systems.

Transition metal ions in ZnO: Effects of intrashell coulomb repulsion on electronic properties

NASA Astrophysics Data System (ADS)

Ciechan, A.; Bogusławski, P.

2018-05-01

Electronic structure of the transition metal (TM) dopants in ZnO is calculated by first principles approach. Analysis of the results is focused on the properties determined by the intrashell Coulomb coupling. The role of both direct and exchange interaction channel is analyzed. The coupling is manifested in the strong charge state dependence of the TM gap levels, which leads to the metastability of photoexcited Mn, and determines the accessible equilibrium charge states of TM ions. The varying magnitude of the exchange coupling is reflected in the dependence of the spin splitting energy on the chemical identity across the 3d series, as well as the charge state dependence of spin-up spin-down exchange splitting.

Effective field theory description of halo nuclei

NASA Astrophysics Data System (ADS)

Hammer, H.-W.; Ji, C.; Phillips, D. R.

2017-10-01

Nuclear halos emerge as new degrees of freedom near the neutron and proton driplines. They consist of a core and one or a few nucleons which spend most of their time in the classically-forbidden region outside the range of the interaction. Individual nucleons inside the core are thus unresolved in the halo configuration, and the low-energy effective interactions are short-range forces between the core and the valence nucleons. Similar phenomena occur in clusters of 4He atoms, cold atomic gases near a Feshbach resonance, and some exotic hadrons. In these weakly-bound quantum systems universal scaling laws for s-wave binding emerge that are independent of the details of the interaction. Effective field theory (EFT) exposes these correlations and permits the calculation of non-universal corrections to them due to short-distance effects, as well as the extension of these ideas to systems involving the Coulomb interaction and/or binding in higher angular-momentum channels. Halo nuclei exhibit all these features. Halo EFT, the EFT for halo nuclei, has been used to compute the properties of single-neutron, two-neutron, and single-proton halos of s-wave and p-wave type. This review summarizes these results for halo binding energies, radii, Coulomb dissociation, and radiative capture, as well as the connection of these properties to scattering parameters, thereby elucidating the universal correlations between all these observables. We also discuss how Halo EFT's encoding of the long-distance physics of halo nuclei can be used to check and extend ab initio calculations that include detailed modeling of their short-distance dynamics.

Electrostatic effects in unfolded staphylococcal nuclease

PubMed Central

Fitzkee, Nicholas C.; García-Moreno E, Bertrand

2008-01-01

Structure-based calculations of pK a values and electrostatic free energies of proteins assume that electrostatic effects in the unfolded state are negligible. In light of experimental evidence showing that this assumption is invalid for many proteins, and with increasing awareness that the unfolded state is more structured and compact than previously thought, a detailed examination of electrostatic effects in unfolded proteins is warranted. Here we address this issue with structure-based calculations of electrostatic interactions in unfolded staphylococcal nuclease. The approach involves the generation of ensembles of structures representing the unfolded state, and calculation of Coulomb energies to Boltzmann weight the unfolded state ensembles. Four different structural models of the unfolded state were tested. Experimental proton binding data measured with a variant of nuclease that is unfolded under native conditions were used to establish the validity of the calculations. These calculations suggest that weak Coulomb interactions are an unavoidable property of unfolded proteins. At neutral pH, the interactions are too weak to organize the unfolded state; however, at extreme pH values, where the protein has a significant net charge, the combined action of a large number of weak repulsive interactions can lead to the expansion of the unfolded state. The calculated pK a values of ionizable groups in the unfolded state are similar but not identical to the values in small peptides in water. These studies suggest that the accuracy of structure-based calculations of electrostatic contributions to stability cannot be improved unless electrostatic effects in the unfolded state are calculated explicitly. PMID:18227429

Antiferromagnetism, charge density wave, and d-wave superconductivity in the extended t-J-U model: role of intersite Coulomb interaction and a critical overview of renormalized mean field theory.

PubMed

Abram, M; Zegrodnik, M; Spałek, J

2017-09-13

In the first part of the paper, we study the stability of antiferromagnetic (AF), charge density wave (CDW), and superconducting (SC) states within the t-J-U-V model of strongly correlated electrons by using the statistically consistent Gutzwiller approximation (SGA). We concentrate on the role of the intersite Coulomb interaction term V in stabilizing the CDW phase. In particular, we show that the charge ordering appears only above a critical value of V in a limited hole-doping range δ. The effect of the V term on SC and AF phases is that a strong interaction suppresses SC, whereas the AF order is not significantly influenced by its presence. In the second part, separate calculations for the case of a pure SC phase have been carried out within an extended approach (the diagrammatic expansion for the Gutzwiller wave function, DE-GWF) in order to analyze the influence of the intersite Coulomb repulsion on the SC phase with the higher-order corrections included beyond the SGA method. The upper concentration for the SC disappearance decreases with increasing V, bringing the results closer to experiment. In appendices A and B we discuss the ambiguity connected with the choice of the Gutzwiller renormalization factors within the renormalized mean filed theory when either AF or CDW orders are considered. At the end, we overview briefly the possible extensions of the current models to put descriptions of the SC, AF, and CDW states on equal footing.

Laser-modified Coulomb scattering states of an electron in the parabolic quasi-Sturmian-Floquet approach

NASA Astrophysics Data System (ADS)

Zaytsev, A. S.; Zaytsev, S. A.; Ancarani, L. U.; Kouzakov, K. A.

2018-04-01

Electron scattering states in combined Coulomb and laser fields are investigated with a nonperturbative approach based on the Hermitian Floquet theory. Taking into account the Coulomb-specific asymptotic behavior of the electron wave functions at large distances, a Lippmann-Schwinger-Floquet equation is derived in the Kramers-Henneberger frame. Such a scattering-state equation is solved numerically employing a set of parabolic quasi-Sturmian functions which have the great advantage of possessing, by construction, adequately chosen incoming or outgoing Coulomb asymptotic behaviors. Our quasi-Sturmian-Floquet approach is tested with a calculation of triple differential cross sections for a laser-assisted (e ,2 e ) process on atomic hydrogen within a first-order Born treatment of the projectile-atom interaction. Convergence with respect to the number of Floquet-Fourier expansion terms is numerically demonstrated. The illustration shows that the developed method is very efficient for the computation of light-dressed states of an electron moving in a Coulomb potential in the presence of laser radiation.

Enabling valley selective exciton scattering in monolayer WSe2 through upconversion

PubMed Central

Manca, M.; Glazov, M. M.; Robert, C.; Cadiz, F.; Taniguchi, T.; Watanabe, K.; Courtade, E.; Amand, T.; Renucci, P.; Marie, X.; Wang, G.; Urbaszek, B.

2017-01-01

Excitons, Coulomb bound electron–hole pairs, are composite bosons and their interactions in traditional semiconductors lead to condensation and light amplification. The much stronger Coulomb interaction in transition metal dichalcogenides such as WSe2 monolayers combined with the presence of the valley degree of freedom is expected to provide new opportunities for controlling excitonic effects. But so far the bosonic character of exciton scattering processes remains largely unexplored in these two-dimensional materials. Here we show that scattering between B-excitons and A-excitons preferably happens within the same valley in momentum space. This leads to power dependent, negative polarization of the hot B-exciton emission. We use a selective upconversion technique for efficient generation of B-excitons in the presence of resonantly excited A-excitons at lower energy; we also observe the excited A-excitons state 2s. Detuning of the continuous wave, low-power laser excitation outside the A-exciton resonance (with a full width at half maximum of 4 meV) results in vanishing upconversion signal. PMID:28367962

Teaching Ion-Ion, Ion-Dipole, and Dipole-Dipole Interactions

ERIC Educational Resources Information Center

Yoder, Claude H.

1977-01-01

Discusses how electrostatic interactions can be taught quantitatively through Coulomb's Law at a variety of points in a chemistry curriculum. Each type of interaction is shown at both the intramolecular and the inter-"molecular" levels. (MR)

Relativistic calculation of correlational energy for a helium-like atom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Palchikov, V.G.

This paper presents an analytical method for calculating the firstorder correlational energy from the electron interaction, taking account of lag effects. Explicit analytical expressions are obtained for radial matrix elements. The nonrelativistic limit is investigated. The given method may be used to calculate correlation effects in higher orders of perturbation theory (second and higher orders with respect to 1/z) using the Strum expansion for the Coulomb Green's functions.

Violation of the Wiedemann-Franz law in a single-electron transistor.

PubMed

Kubala, Björn; König, Jürgen; Pekola, Jukka

2008-02-15

We study the influence of Coulomb interaction on the thermoelectric transport coefficients for a metallic single-electron transistor. By performing a perturbation expansion up to second order in the tunnel-barrier conductance, we include sequential and cotunneling processes as well as quantum fluctuations that renormalize the charging energy and the tunnel conductance. We find that Coulomb interaction leads to a strong violation of the Wiedemann-Franz law: the Lorenz ratio becomes gate-voltage dependent for sequential tunneling, and is increased by a factor 9/5 in the cotunneling regime. Finally, we suggest a measurement scheme for an experimental realization.

HZEFRG1: An energy-dependent semiempirical nuclear fragmentation model

NASA Technical Reports Server (NTRS)

Townsend, Lawrence W.; Wilson, John W.; Tripathi, Ram K.; Norbury, John W.; Badavi, Francis F.; Khan, Ferdous

1993-01-01

Methods for calculating cross sections for the breakup of high-energy heavy ions by the combined nuclear and coulomb fields of the interacting nuclei are presented. The nuclear breakup contributions are estimated with an abrasion-ablation model of heavy ion fragmentation that includes an energy-dependent, mean free path. The electromagnetic dissociation contributions arising from the interacting coulomb fields are estimated by using Weizsacker-Williams theory extended to include electric dipole and electric quadrupole contributions. The complete computer code that implements the model is included as an appendix. Extensive comparisons of cross section predictions with available experimental data are made.

Thomas-Fermi simulations of dense plasmas without pseudopotentials

NASA Astrophysics Data System (ADS)

Starrett, C. E.

2017-07-01

The Thomas-Fermi model for warm and hot dense matter is widely used to predict material properties such as the equation of state. However, for practical reasons current implementations use pseudopotentials for the electron-nucleus interaction instead of the bare Coulomb potential. This complicates the calculation and quantities such as free energy cannot be converged with respect to the pseudopotential parameters. We present a method that retains the bare Coulomb potential for the electron-nucleus interaction and does not use pseudopotentials. We demonstrate that accurate free energies are obtained by checking variational consistency. Examples for aluminum and iron plasmas are presented.

Effects of Coulomb collisions on cyclotron maser and plasma wave growth in magnetic loops

NASA Technical Reports Server (NTRS)

Hamilton, Russell J.; Petrosian, Vahe

1990-01-01

The evolution of nonthermal electrons accelerated in magnetic loops is determined by solving the kinetic equation, including magnetic field convergence and Coulomb collisions in order to determine the effects of these interactions on the induced cyclotron maser and plasma wave growth. It is found that the growth rates are larger and the possibility of cyclotron maser action is stronger for smaller loop column density, for larger magnetic field convergence, for a more isotropic injected electron pitch angle distribution, and for more impulsive acceleration. For modest values of the column density in the coronal portion of a flaring loop, the growth rates of instabilities are significantly reduced, and the reduction is much larger for the cyclotron modes than for the plasma wave modes. The rapid decrease in the growth rates with increasing loop column density suggests that, in flare loops when such phenomena occur, the densities are lower than commonly accepted.

Disordered hyperuniformity in two-component nonadditive hard-disk plasmas

NASA Astrophysics Data System (ADS)

Lomba, Enrique; Weis, Jean-Jacques; Torquato, Salvatore

2017-12-01

We study the behavior of a classical two-component ionic plasma made up of nonadditive hard disks with additional logarithmic Coulomb interactions between them. Due to the Coulomb repulsion, long-wavelength total density fluctuations are suppressed and the system is globally hyperuniform. Short-range volume effects lead to phase separation or to heterocoordination for positive or negative nonadditivities, respectively. These effects compete with the hidden long-range order imposed by hyperuniformity. As a result, the critical behavior of the mixture is modified, with long-wavelength concentration fluctuations partially damped when the system is charged. It is also shown that the decrease of configurational entropy due to hyperuniformity originates from contributions beyond the two-particle level. Finally, despite global hyperuniformity, we show that in our system the spatial configuration associated with each component separately is not hyperuniform, i.e., the system is not "multihyperuniform."

Cavity-photon contribution to the effective interaction of electrons in parallel quantum dots

NASA Astrophysics Data System (ADS)

Gudmundsson, Vidar; Sitek, Anna; Abdullah, Nzar Rauf; Tang, Chi-Shung; Manolescu, Andrei

2016-05-01

A single cavity photon mode is expected to modify the Coulomb interaction of an electron system in the cavity. Here we investigate this phenomena in a parallel double quantum dot system. We explore properties of the closed system and the system after it has been opened up for electron transport. We show how results for both cases support the idea that the effective electron-electron interaction becomes more repulsive in the presence of a cavity photon field. This can be understood in terms of the cavity photons dressing the polarization terms in the effective mutual electron interaction leading to nontrivial delocalization or polarization of the charge in the double parallel dot potential. In addition, we find that the effective repulsion of the electrons can be reduced by quadrupolar collective oscillations excited by an external classical dipole electric field.

Heat Coulomb blockade of one ballistic channel

NASA Astrophysics Data System (ADS)

Sivre, E.; Anthore, A.; Parmentier, F. D.; Cavanna, A.; Gennser, U.; Ouerghi, A.; Jin, Y.; Pierre, F.

2018-02-01

Quantum mechanics and Coulomb interaction dictate the behaviour of small circuits. The thermal implications cover fundamental topics from quantum control of heat to quantum thermodynamics, with prospects of novel thermal machines and an ineluctably growing influence on nanocircuit engineering. Experimentally, the rare observations thus far include the universal thermal conductance quantum and heat interferometry. However, evidence for many-body thermal effects paving the way to markedly different heat and electrical behaviours in quantum circuits remains wanting. Here we report on the observation of the Coulomb blockade of electronic heat flow from a small metallic circuit node, beyond the widespread Wiedemann-Franz law paradigm. We demonstrate this thermal many-body phenomenon for perfect (ballistic) conduction channels to the node, where it amounts to the universal suppression of precisely one quantum of conductance for the transport of heat, but none for electricity. The inter-channel correlations that give rise to such selective heat current reduction emerge from local charge conservation, in the floating node over the full thermal frequency range (<~temperature × kB/h). This observation establishes the different nature of the quantum laws for thermal transport in nanocircuits.

Experimental detection of long-distance interactions between biomolecules through their diffusion behavior: numerical study.

PubMed

Nardecchia, Ilaria; Spinelli, Lionel; Preto, Jordane; Gori, Matteo; Floriani, Elena; Jaeger, Sebastien; Ferrier, Pierre; Pettini, Marco

2014-08-01

The dynamical properties and diffusive behavior of a collection of mutually interacting particles are numerically investigated for two types of long-range interparticle interactions: Coulomb-electrostatic and dipole-electrodynamic. It is shown that when the particles are uniformly distributed throughout the accessible space, the self-diffusion coefficient is always lowered by the considered interparticle interactions, irrespective of their attractive or repulsive character. This fact is also confirmed by a simple model to compute the correction to the Brownian diffusion coefficient due to the interactions among the particles. These interactions are also responsible for the onset of dynamical chaos and an associated chaotic diffusion which still follows an Einstein-Fick-like law for the mean-square displacement as a function of time. Transitional phenomena are observed for Coulomb-electrostatic (repulsive) and dipole-electrodynamic (attractive) interactions considered both separately and in competition. The outcomes reported in this paper clearly indicate a feasible experimental method to probe the activation of resonant electrodynamic interactions among biomolecules.

Superconducting state parameters of monovalent and polyvalent amorphous

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sonvane, Y. A., E-mail: yas@ashd.svnit.ac.in; Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakor@rediffmail.com

2015-08-28

In the present study deals, we have calculated superconducting state parameter (SSP) like electron-phonon coupling strength λ, coulomb pseudo potential, μ*, transition temperature Tc, isotope effect exponent α and effective interaction strength N{sub 0}V of monovalent (Li), divalent (Zn), trivalent (In) and tetravalent (Pb) amorphous. To carry out this work we have used our newly constructed model pseudo potential to describe electron ion interaction along with three different local field correction functions like Hartree, Taylor and Sarkar et al. The present results are found in good agreement with other available theoretical as well as experimental data.

Superconducting state parameters of monovalent and polyvalent amorphous

NASA Astrophysics Data System (ADS)

Sonvane, Y. A.; Patel, H. P.; Thakor, P. B.

2015-08-01

In the present study deals, we have calculated superconducting state parameter (SSP) like electron-phonon coupling strength λ, coulomb pseudo potential, μ*, transition temperature Tc, isotope effect exponent α and effective interaction strength N0V of monovalent (Li), divalent (Zn), trivalent (In) and tetravalent (Pb) amorphous. To carry out this work we have used our newly constructed model pseudo potential to describe electron ion interaction along with three different local field correction functions like Hartree, Taylor and Sarkar et al. The present results are found in good agreement with other available theoretical as well as experimental data.

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

PubMed

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

Coulomb-coupled quantum-dot thermal transistors

NASA Astrophysics Data System (ADS)

Zhang, Yanchao; Yang, Zhimin; Zhang, Xin; Lin, Bihong; Lin, Guoxing; Chen, Jincan

2018-04-01

A quantum-dot thermal transistor consisting of three Coulomb-coupled quantum dots coupled to the respective electronic reservoirs by tunnel contacts is established. The heat flows through the collector and emitter can be controlled by the temperature of the base. It is found that a small change in the base heat flow can induce a large heat flow change in the collector and emitter. The huge amplification factor can be obtained by optimizing the Coulomb interaction between the collector and the emitter or by decreasing the tunneling rate at the base. The proposed quantum-dot thermal transistor may open up potential applications in low-temperature solid-state thermal circuits at the nanoscale.

Structural and elastic properties of InX (X = P, As, Sb) at pressure and room temperature

NASA Astrophysics Data System (ADS)

Pawar, Pooja; Singh, Sadhna

2018-06-01

We have investigated the pressure-induced phase transition of InX (X = P, As, Sb) from Zinc-Blende (ZB) to NaCl structure by using realistic interaction potential model involving the effect of temperature. This model consists of Coulomb interaction, three-body interaction and short-range overlap repulsive interaction upto the second nearest neighbor involving temperature. Phase-transition pressure is associated with a sudden collapse in volume, showing the incidence of first-order phase transition. The phase-transition pressure is associated with volume collapses, and the elastic constants obtained from the present model indicate good agreement with the available experimental and theoretical data.

Stress Interactions Between the 1976 Magnitude 7.8 Tangshan Earthquake and Adjacent Fault Systems in Northern China

NASA Astrophysics Data System (ADS)

Zhang, Z.; Lin, J.; Chen, Y. J.

2004-12-01

The 28 July 1976 ML = 7.8 Tangshan earthquake struck a highly populated metropolitan center in northern China and was one of the most devastating earthquakes in modern history. Its occurrence has significantly changed the Coulomb stresses on a complex network of strike-slip, normal, and thrust faults in the region, potentially heightened the odds of future earthquakes on some of these fault segments. We have conducted a detailed analysis of the 3D stress effects of the Tangshan earthquake on its neighboring faults, the relationship between stress transfer and aftershock locations, and the implications for future seismic hazard in the region. Available seismic and geodetic data, although limited, indicate that the Tangshan main shock sequence is composed of complex rupture on 2-3 fault segments. The dominant rupture mode is right-lateral strike-slip on two adjoining sub-segments that strike N5¡aE and N35¡aE, respectively. We calculated that the Tangshan main shock sequence has increased the Coulomb failure stress by more than 1 bar in the vicinity of the Lunanxian district to the east, where the largest aftershock (ML = 7.1) occurred 15 hours after the Tangshan main event. The second largest aftershock (ML = 6.8) occurred on the Ninghe fault to the southwest of the main rupture, in a transitional region between the calculated Coulomb stress increase and decrease. The majority of the ML > 5.0 aftershocks also occurred in areas of calculated Coulomb stress increase. Our analyses further indicate that the Coulomb stress on portions of other fault segments, including the Leting and Lulong fault to the east and Yejito fault to the north, may also have been increased. Thus it is critical to obtain estimates of earthquake repeat times on these and other tectonic faults and to acquire continuous GPS and space geodetic measurements. Investigation of stress interaction and earthquake triggering in northern China is not only highly societal relevant but also important for advancing our understanding of the fundamental characteristics of earthquakes in regions of diffuse continental deformation.

Electron-Electron and Electron-Phonon interactions effects on the tunnel electronic spectrum of PbS quantum dots

NASA Astrophysics Data System (ADS)

Wang, Hongyue; Lhuillier, Emmanuel; Yu, Qian; Mottaghizadeh, Alireza; Ulysse, Christian; Zimmers, Alexandre; Dubertret, Benoit; Aubin, Herve

2015-03-01

We present a tunnel spectroscopy study of the electronic spectrum of single PbS Quantum Dots (QDs) trapped between nanometer-spaced electrodes, measured at low temperature T=5 K. The carrier filling of the QD can be controlled either by the drain voltage in the shell filling regime or by a gate voltage. In the empty QD, the tunnel spectrum presents the expected signature of the 8x degenerated excited levels. In the drain controlled shell filling regime, the levels degeneracies are lifted by the global electrostatic Coulomb energy of the QD; in the gate controlled shell filling regime, the levels degeneracies are lifted by the intra-Coulomb interactions. In the charged quantum dot, electron-phonons interactions lead to the apparition of Franck-Condon side bands on the single excited levels and possibly Franck Condon blockade at low energy. The sharpening of excited levels at higher gate voltage suggests that the magnitude of electron-phonon interactions is decreased upon increasing the electron filling in the quantum dot. This work was supported by the French ANR Grants 10-BLAN-0409-01, 09-BLAN-0388-01, by the Region Ile-de-France in the framework of DIM Nano-K and by China Scholarship Council.

Nuclear annihilation by antinucleons

DOE PAGES

Lee, Teck-Ghee; Wong, Cheuk-Yin

2016-01-25

We examine the momentum dependence ofmore » $$\\bar{p}$$p and $$\\bar{n}$$p annihilation cross sections by considering the transmission through a nuclear potential and the $$\\bar {p}$$p Coulomb interaction. Compared to the $$\\bar{n}$$p annihilation cross section, the $$\\bar{p}$$p annihilation cross section is significantly enhanced by the Coulomb interaction for projectile momenta below p lab < 500 MeV/c, and the two annihilation cross sections approach the Pomeranchuk's equality limit [JETP 30, 423 (1956)] at p lab ~500 MeV/c. Using these elementary cross sections as the basic input data, the extended Glauber model is employed to evaluate the annihilation cross sections for $$\\bar{n}$$ and $$\\bar{p}$$ interaction with nuclei and the results compare well with experimental data.« less

Truncated disks - advective tori solutions around BHs. I. The effects of conduction and enhanced Coulomb coupling

NASA Astrophysics Data System (ADS)

Hujeirat, A.; Camenzind, M.

2000-10-01

We present the first 2D quasi-stationary radiative hydrodynamical calculations of accretion flows onto BHs taking into account cooling via Bremsstrahlung, Compton, Synchrotron and conduction. The effect of enhanced Coulomb coupling is investigated also. Based on the numerical results obtained, we find that two-temperature (2T) accretion flows are best suited to describe hard states, and one-temperature (1T) in the soft states, with transition possibly depending on the accretion rate. In the 2T case, the ion-conduction enlarges the disk-truncation-radius from 5 to 9 Schwarzschild radii (RS). The ion-pressure powers outflows, hence substantially decreasing the accretion rate with decreasing radius. The spectrum is partially modified BB with hard photons emitted from the inner region and showing a cutoff at 100 keV. In the 1T case, conduction decreases the truncation radius from 7 to 5 RS and lowers the maximum gas temperature. The outflows are weaker, the spectrum is pre-dominantly modified BB and the emitted photons from the inner region are much harder (up to 175 keV). In both cases, the unsaturated Comptonization region coincides with the transition region between the disk and the advective torus. When gradually enhancing the Coulomb coupling, we find that the ion-temperature Ti decreases and the electron temperature Te increases, asymptotically converging to 1T flows. However, once the dissipated energy goes into heating the ions, ion-electron thermal decoupling is inevitable within the last stable orbit (RMS) even when the Coulomb interaction is enhanced by an additional two orders of magnitude.

Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model.

PubMed

Butlitsky, M A; Zelener, B B; Zelener, B V

2014-07-14

A two-component plasma model, which we called a "shelf Coulomb" model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The "shelf Coulomb" model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ɛ parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ɛ and γ = βe(2)n(1/3) (where β = 1/kBT, n is the particle's density, kB is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ɛ and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ɛ(crit) ≈ 13(T(*)(crit) ≈ 0.076), γ(crit) ≈ 1.8(v(*)(crit) ≈ 0.17), P(*)(crit) ≈ 0.39, where specific volume v* = 1/γ(3) and reduced temperature T(*) = ɛ(-1).

Relativistic Many-Body Calculations of n=2 States for the Beryllium Isoelectronic Sequence

NASA Astrophysics Data System (ADS)

Safronova, M. S.; Johnson, W. R.; Safronova, U. I.

1996-05-01

Energies of the ten (2l2l') states of ions of the beryllium isoelectronic sequence are determined to second-order in relativistic many-body perturbation theory. Both the second-order Coulomb interaction and the second-order Breit-Coulomb interaction are included. Corrections for the frequency-dependent Breit interaction are taken in account in lowest order only. The effect of the Lamb shift is also estimated and included. Comparisons with other calculations and with experiment are made. Our theoretical results for the 2s-2p_3/2 transitions in U^88+ and Th^86+ (4501.60 eV and 4069.02 eV, resp.) differ only by 0.12 eV for U^88+ and 0.55 eV for Th^86+ from experimental data obtained at the SUPER-EBIT in LLNL.(P. Beiersdorfer, D. Knapp, R.E. Marrs, S.R. Elliot and M.H. Chen, Phys. Rev. Lett. 71), 3939 (1993); P. Beiersdorfer, A. Osterheld, S.R. Elliot, M.H. Chen, D. Knapp, and K. Reed, Phys. Rev. A52, 2693 (1995). Excellent agreement with experimental results for the splitting of ^3 P terms is found.

On some limitations on temporal resolution in imaging subpicosecond photoelectronics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shchelev, M Ya; Andreev, S V; Degtyareva, V P

2015-05-31

Numerical modelling is used to analyse some effects restricting the enhancement of temporal resolution into the area better than 100 fs in streak image tubes and photoelectron guns. A particular attention is paid to broadening of an electron bunch as a result of Coulomb interaction. Possible ways to overcome the limitations under consideration are discussed. (extreme light fields and their applications)

Electromagnetic dissociation effects in galactic heavy-ion fragmentation

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Townsend, L. W.

1986-01-01

Methods for calculating cross sections for the breakup of galactic heavy ions by the Coulomb fields of the interacting nuclei are presented. By using the Weizsacker-Williams method of virtual quanta, estimates of electromagnetic dissociation cross sections for a variety of reactions applicable to galactic cosmic ray shielding studies are presented and compared with other predictions and with available experimental data.

Dynamics of atoms in strong laser fields I: A quasi analytical model in momentum space based on a Sturmian expansion of the interacting nonlocal Coulomb potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ongonwou, F., E-mail: fred.ongonwou@gmail.com; Tetchou Nganso, H.M., E-mail: htetchou@yahoo.com; Ekogo, T.B., E-mail: tekogo@yahoo.fr

In this study we present a model that we have formulated in the momentum space to describe atoms interacting with intense laser fields. As a further step, it follows our recent theoretical approach in which the kernel of the reciprocal-space time-dependent Schrödinger equation (TDSE) is replaced by a finite sum of separable potentials, each of them supporting one bound state of atomic hydrogen (Tetchou Nganso et al. 2013). The key point of the model is that the nonlocal interacting Coulomb potential is expanded in a Coulomb Sturmian basis set derived itself from a Sturmian representation of Bessel functions of the firstmore » kind in the position space. As a result, this decomposition allows a simple spectral treatment of the TDSE in the momentum space. In order to illustrate the credibility of the model, we have considered the test case of atomic hydrogen driven by a linearly polarized laser pulse, and have evaluated analytically matrix elements of the atomic Hamiltonian and dipole coupling interaction. For various regimes of the laser parameters used in computations our results are in very good agreement with data obtained from other time-dependent calculations.« less

Directly calculated electrical conductivity of hot dense hydrogen from molecular dynamics simulation beyond Kubo-Greenwood formula

NASA Astrophysics Data System (ADS)

Ma, Qian; Kang, Dongdong; Zhao, Zengxiu; Dai, Jiayu

2018-01-01

Electrical conductivity of hot dense hydrogen is directly calculated by molecular dynamics simulation with a reduced electron force field method, in which the electrons are represented as Gaussian wave packets with fixed sizes. Here, the temperature is higher than electron Fermi temperature ( T > 300 eV , ρ = 40 g / cc ). The present method can avoid the Coulomb catastrophe and give the limit of electrical conductivity based on the Coulomb interaction. We investigate the effect of ion-electron coupled movements, which is lost in the static method such as density functional theory based Kubo-Greenwood framework. It is found that the ionic dynamics, which contributes to the dynamical electrical microfield and electron-ion collisions, will reduce the conductivity significantly compared with the fixed ion configuration calculations.

Optimization of the neutron yield in fusion plasmas produced by Coulomb explosions of deuterium clusters irradiated by a petawatt laser.

PubMed

Bang, W; Dyer, G; Quevedo, H J; Bernstein, A C; Gaul, E; Donovan, M; Ditmire, T

2013-02-01

The kinetic energy of hot (multi-keV) ions from the laser-driven Coulomb explosion of deuterium clusters and the resulting fusion yield in plasmas formed from these exploding clusters has been investigated under a variety of conditions using the Texas Petawatt laser. An optimum laser intensity was found for producing neutrons in these cluster fusion plasmas with corresponding average ion energies of 14 keV. The substantial volume (1-10 mm(3)) of the laser-cluster interaction produced by the petawatt peak power laser pulse led to a fusion yield of 1.6×10(7) neutrons in a single shot with a 120 J, 170 fs laser pulse. Possible effects of prepulses are discussed.

Enhancement of the thermoelectric efficiency in a T-shaped quantum dot system in the linear and nonlinear regimes

NASA Astrophysics Data System (ADS)

Gómez-Silva, G.; Orellana, P. A.; Anda, E. V.

2018-02-01

In the present work, we investigate the thermoelectric properties of a T-shaped double quantum dot system coupled to two metallic leads incorporating the intra-dot Coulomb interaction. We explore the role of the interference effects and Coulomb blockade on the thermoelectric efficiency of the system in the linear and nonlinear regimes. We studied as well the effect of a Van-Hove singularity of the leads density of states (DOS) at the neighborhood of the Fermi energy, a situation that can be obtained using a carbon nanotube, a graphene nano-ribbon or other contacts with one-dimensional properties. The system is studied above the Kondo temperature. The Coulomb blockade of the electronic charges is studied using the Hubbard III approximation, which properly describes the transport properties of this regime. In the linear response, our results show an enhancement of the thermopower and the figure of merit of the system. For a nonlinear situation, we calculate the thermoelectric efficiency and power output, concluding that the T-shaped double quantum dot is an efficient thermoelectric device. Moreover, we demonstrate the great importance of the DOS Van-Hove singularity at the neighborhood of the Fermi energy to obtain a very significant increase in the thermoelectric efficiency of the system.

Coulomb correlations in 4d and 5d oxides from first principles—or how spin-orbit materials choose their effective orbital degeneracies

NASA Astrophysics Data System (ADS)

Martins, C.; Aichhorn, M.; Biermann, S.

2017-07-01

The interplay of spin-orbit coupling and Coulomb correlations has become a hot topic in condensed matter theory and is especially important in 4d and 5d transition metal oxides, like iridates or rhodates. Here, we review recent advances in dynamical mean-field theory (DMFT)-based electronic structure calculations for treating such compounds, introducing all necessary implementation details. We also discuss the evaluation of Hubbard interactions in spin-orbit materials. As an example, we perform DMFT calculations on insulating strontium iridate (Sr2IrO4) and its 4d metallic counterpart, strontium rhodate (Sr2RhO4). While a Mott-insulating state is obtained for Sr2IrO4 in its paramagnetic phase, the spectral properties and Fermi surfaces obtained for Sr2RhO4 show excellent agreement with available experimental data. Finally, we discuss the electronic structure of these two compounds by introducing the notion of effective spin-orbital degeneracy as the key quantity that determines the correlation strength. We stress that effective spin-orbital degeneracy introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth, analogous to the degeneracy-controlled Mott transition in d1 perovskites.

Coulomb correlations in 4d and 5d oxides from first principles-or how spin-orbit materials choose their effective orbital degeneracies.

PubMed

Martins, C; Aichhorn, M; Biermann, S

2017-07-05

The interplay of spin-orbit coupling and Coulomb correlations has become a hot topic in condensed matter theory and is especially important in 4d and 5d transition metal oxides, like iridates or rhodates. Here, we review recent advances in dynamical mean-field theory (DMFT)-based electronic structure calculations for treating such compounds, introducing all necessary implementation details. We also discuss the evaluation of Hubbard interactions in spin-orbit materials. As an example, we perform DMFT calculations on insulating strontium iridate (Sr 2 IrO 4 ) and its 4d metallic counterpart, strontium rhodate (Sr 2 RhO 4 ). While a Mott-insulating state is obtained for Sr 2 IrO 4 in its paramagnetic phase, the spectral properties and Fermi surfaces obtained for Sr 2 RhO 4 show excellent agreement with available experimental data. Finally, we discuss the electronic structure of these two compounds by introducing the notion of effective spin-orbital degeneracy as the key quantity that determines the correlation strength. We stress that effective spin-orbital degeneracy introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth, analogous to the degeneracy-controlled Mott transition in d 1 perovskites.

INTERACTIONS OF RAPIDLY MOVING BODIES IN TERRESTRIAL ATMOSPHERE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chopra, K.P.

1960-03-31

The drag of a moving body or satellite in the upper atmosphere where the molecular mean free paths are large is studied with special reference to interactions with magnetic fields. The various models for aerodynamic drag are reviewed, and some theoretical expectations for cone and cylindrical satellites (Sputnik III and Explorer IV) are tabulated, tumbling effects included. Gyration of charged particles in a magnetic field is studied; at the altitudes of interest, electrons but not ions are free to spiral. Satellites will become charged because of their contact with charged particles; they usually become negatively charged and, since their velocitymore » is greater than that of ions, they behave like enormous ions with large charges. There is also drag due to Coulomb interaction of the satellite with charged particles, which describe hyperbolic orbits around the satellite. Present theories of Coulomb drag are critically reviewed. According to the Chopra-Singer theory, Coulomb drag contributes significantly to the total drag at 350 km, becomes comparable to the neutral drag at 500 km, and is predominant above 650 km. The next kind of drag considered is induction drag, caused by electric currents induced by the motion through the magnetic field. Induction drag tends to damp out rotational as well as translational motion and is negligible compared to neutral drag at 250 km but becomes large at 500 km. A sphere in strong magnetic fields does not affect the magnetic fields if the Reynolds number of flow is large and the magnetic Reynolds number is small, and a cylinder of fInid with radius equal to that of the sphere is pushed out in front of the sphere. Large magnetic Reynolds numbers are also considered. Another kind of drag is that caused by generation of electromagnetic waves from the satellite; they propagate along the direction of the magnetic field at a velocity slightly less than that of the satellite. The contribution of this drag is negligible at 250 km but is comparable to the Coulomb drag at 800 kin. Experimental apparatus for the simulation of electron and ion bombardment and aerodynamical testing of a satellite are described. A bibliography of 103 references is given. (D.L.C.)« less

The electrostatic interaction between interfacial colloidal particles

NASA Astrophysics Data System (ADS)

Hurd, A. J.

1985-11-01

The electrostatic interaction between charged, colloidal particles trapped at an air-water interface is considered using linearised Poisson-Boltzmann results for point particles. In addition to the expected screened-Coulomb contribution, which decays exponentially, an algebraic dipole-dipole interaction occurs that may account for long-range interactions in interfacial colloidal systems.

Gaplessness and the Coulomb anomaly in the strongly disordered films of molybdenum carbide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kulkarni, P., E-mail: prasanna1609@gmail.com; Szabo, P.; Zemlicka, M.

2016-05-23

Gaplessness was observed in the disordered films of MoC close to the superconductor to insulator transition. The transition temperature decreases and the superconducting gap tends to close as the film thickness is reduced to 3 nm from 20 nm. The gaplessness is attributed to the enhanced Coulomb interactions due to the loss of screening in the presence of strong disorder in the films.

Manipulating quantum coherence of charge states in interacting double-dot Aharonov–Bohm interferometers

NASA Astrophysics Data System (ADS)

Jin, Jinshuang; Wang, Shikuan; Zhou, Jiahuan; Zhang, Wei-Min; Yan, YiJing

2018-04-01

We investigate the dynamics of charge-state coherence in a degenerate double-dot Aharonov–Bohm interferometer with finite inter-dot Coulomb interactions. The quantum coherence of the charge states is found to be sensitive to the transport setup configurations, involving both the single-electron impurity channels and the Coulomb-assisted ones. We numerically demonstrate the emergence of a complete coherence between the two charge states, with the relative phase being continuously controllable through the magnetic flux. Interestingly, a fully coherent charge qubit arises at the double-dots electron pair tunneling resonance condition, where the chemical potential of one electrode is tuned at the center between a single-electron impurity channel and the related Coulomb-assisted channel. This pure quantum state of charge qubit could be experimentally realized at the current–voltage characteristic turnover position, where differential conductance sign changes. We further elaborate the underlying mechanism for both the real-time and the stationary charge-states coherence in the double-dot systems of study.

Revealing the Coulomb interaction strength in a cuprate superconductor

DOE PAGES

Yang, S. -L.; Sobota, J. A.; He, Y.; ...

2017-12-08

Here, we study optimally doped Bi 2 Sr 2 Ca 0.92 Y 0.08 Cu 2 O 8 + δ (Bi2212) using angle-resolved two-photon photoemission spectroscopy. Three spectral features are resolved near 1.5, 2.7, and 3.6 eV above the Fermi level. By tuning the photon energy, we determine that the 2.7-eV feature arises predominantly from unoccupied states. The 1.5- and 3.6-eV features reflect unoccupied states whose spectral intensities are strongly modulated by the corresponding occupied states. These unoccupied states are thus consistent with the prediction from a cluster perturbation theory based on the single-band Hubbard model. Through this comparison, amore » Coulomb interaction strength U of 2.7 eV is extracted. Our study complements equilibrium photoemission spectroscopy and provides a direct spectroscopic measurement of the unoccupied states in cuprates. The determined Coulomb U indicates that the charge-transfer gap of optimally doped Bi2212 is 1.1 eV.« less

Model Hamiltonian Calculations of the Nonlinear Polarizabilities of Conjugated Molecules.

NASA Astrophysics Data System (ADS)

Risser, Steven Michael

This dissertation advances the theoretical knowledge of the nonlinear polarizabilities of conjugated molecules. The unifying feature of these molecules is an extended delocalized pi electron structure. The pi electrons dominate the electronic properties of the molecules, allowing prediction of molecular properties based on the treatment of just the pi electrons. Two separate pi electron Hamiltonians are used in the research. The principal Hamiltonian used is the non-interacting single-particle Huckel Hamiltonian, which replaces the Coulomb interaction among the pi electrons with a mean field interaction. The simplification allows for exact solution of the Hamiltonian for large molecules. The second Hamiltonian used for this research is the interacting multi-particle Pariser-Parr-Pople (PPP) Hamiltonian, which retains explicit Coulomb interactions. This limits exact solutions to molecules containing at most eight electrons. The molecular properties being investigated are the linear polarizability, and the second and third order hyperpolarizabilities. The hyperpolarizabilities determine the nonlinear optical response of materials. These molecular parameters are determined by two independent approaches. The results from the Huckel Hamiltonian are obtained through first, second and third order perturbation theory. The results from the PPP Hamiltonian are obtained by including the applied field directly in the Hamiltonian and determining the ground state energy at a series of field strengths. By fitting the energy to a polynomial in field strength, the polarizability and hyperpolarizabilities are determined. The Huckel Hamiltonian is used to calculate the third order hyperpolarizability of polyenes. These calculations were the first to show the average hyperpolarizability of the polyenes to be positive, and also to show the saturation of the hyperpolarizability. Comparison of these Huckel results to those from the PPP Hamiltonian shows the lack of explicit Coulomb interactions in the Huckel Hamiltonian results in calculated hyperpolarizabilities that are much larger than the experimentally determined values. Comparison of hyperpolarizabilities calculated for small benzene derivatives using both the Huckel and PPP Hamiltonians shows that inclusion of explicit Coulomb interactions is not as significant for aromatic molecules. This assertion is supported by comparison of the calculated results to the experimentally determined values. This allows for predictions of the hyperpolarizability of various liquid crystal molecules to be made.

The mechanism and high-free-energy transition state of lac repressor–lac operator interaction

PubMed Central

Sengupta, Rituparna; Capp, Michael W.; Shkel, Irina A.

2017-01-01

Abstract Significant, otherwise-unavailable information about mechanisms and transition states (TS) of protein folding and binding is obtained from solute effects on rate constants. Here we characterize TS for lac repressor(R)–lac operator(O) binding by analyzing effects of RO-stabilizing and RO-destabilizing solutes on association (ka) and dissociation (kd) rate constants. RO-destabilizing solutes (urea, KCl) reduce ka comparably (urea) or more than (KCl) they increase kd, demonstrating that they destabilize TS relative to reactants and RO, and that TS exhibits most of the Coulombic interactions between R and O. Strikingly, three solutes which stabilize RO by favoring burial/dehydration of amide oxygens and anionic phosphate oxygens all reduce kd without affecting ka significantly. The lack of stabilization of TS by these solutes indicates that O phosphates remain hydrated in TS and that TS preferentially buries aromatic carbons and amide nitrogens while leaving amide oxygens exposed. In our proposed mechanism, DNA-binding-domains (DBD) of R insert in major grooves of O pre-TS, forming most Coulombic interactions of RO and burying aromatic carbons. Nucleation of hinge helices creates TS, burying sidechain amide nitrogens. Post-TS, hinge helices assemble and the DBD-hinge helix-O-DNA module docks on core repressor, partially dehydrating phosphate oxygens and tightening all interfaces to form RO. PMID:29036376

Coupling optical and electrical gating for electronic readout of quantum dot dynamics

NASA Astrophysics Data System (ADS)

Vasudevan, Smitha; Walczak, Kamil; Ghosh, Avik W.

2010-08-01

We explore the coherent transfer of electronic signatures from a strongly correlated, optically gated nanoscale quantum dot to a weakly interacting, electrically backgated microscale channel. In this unique side-coupled “ T ” geometry for transport, we predict a mechanism for detecting Rabi oscillations induced in the dot through quantum, rather than electrostatic means. This detection shows up directly in the dc conductance-voltage spectrum as a field-tunable split in the Fano lineshape arising due to interference between the dipole coupled dot states and the channel continuum. The split is further modified by the Coulomb interactions within the dot that influence the detuning of the Rabi oscillations. Furthermore, time resolving the signal we see clear beats when the Rabi frequencies approach the intrinsic Bohr frequencies in the dot. Capturing these coupled dynamics requires attention to memory effects and quantum interference in the channel as well as many-body effects in the dot. We accomplish this coupling by combining a Fock-space master equation for the dot dynamics with the phase-coherent, non-Markovian time-dependent nonequilibrium Green’s function transport formalism in the channel through a properly evaluated self-energy and a Coulomb integral. The strength of the interactions can further be modulated using a backgate that controls the degree of hybridization and charge polarization at the transistor surface.

On coagulation mechanisms of charged nanoparticles produced by combustion of hydrocarbon and metallized fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Savel'ev, A. M.; Starik, A. M.

2009-02-15

The contributions of van der Waals, Coulomb, and polarization interactions between nanometersized particles to the particle coagulation rate in both free-molecular and continuum regimes are analyzed for particle charges of various magnitudes and signs. Analytical expressions are obtained for the coagulation rate constant between particles whose interaction in the free-molecular regime is described by a singular potential. It is shown that van der Waals and polarization forces significantly increase the coagulation rate between a neutral and a charged particle (by a factor of up to 10) and can even suppress the Coulomb repulsion between like-charged particles of widely different sizes.

Dyon proliferation in interacting quantum spin Hall edges

NASA Astrophysics Data System (ADS)

Lee, Shu-Ping; Maciejko, Joseph

We show that a quantum spin Hall system with intra-edge multiparticle backscattering and inter-edge exchange interactions exhibits a modular invariant zero-temperature phase diagram. We establish this through mapping to a classical 2D Coulomb gas with electrically and magnetically charged particles; strong coupling phases in the quantum edge problem correspond to the proliferation of various dyons in the Coulomb gas. Distinct dyon proliferated phases can be accessed by tuning the edge Luttinger parameters, for example using a split gate geometry. This research was supported by NSERC Grant #RGPIN-2014-4608, the Canada Research Chair Program (CRC) and the Canadian Institute for Advanced Research (CIFAR).

[On Two Opposing (Bio)surfaces as Comprehended in Terms of an Extension of the Coulomb-Amontons Law of Friction, with Its Virtual Usefulness for Biotribology in Nanoscale].

PubMed

Gadomski, A; Hladyszowski, J

2015-01-01

An extension of the Coulomb-Amontons law is proposed in terms of an interaction-detail involving renormalization (simplified) n-th level scheme. The coefficient of friction is obtained in a general exponential (nonlinear) form, characteristic of virtually infinite (or, many body) level of the interaction map. Yet, its application for a hydration repulsion bilayered system, prone to facilitated lubrication, is taken as linearly confined, albeit with an inclusion of a decisive repelling force/pressure factor. Some perspectives toward related systems, fairly outside biotribological issues, have been also addressed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Junkel, G. C.; Gunderson, M. A.; Hooper, C. F.

Recently, there has been growing experimental evidence for redshifts in line spectra from highly ionized, high-Z radiators immersed in hot, dense plasmas [O. Renner , J. Quant. Spectrosc. Radiat. Transf. 58, 851 (1997); C. F. Hooper , in Strongly Coupled Coulomb Systems (Plenum, New York, 1998); N. C. Woolsey , J. Quant. Spectrosc. Radiat. Transf. 65, 573 (2000); A. Saemann , Phys. Rev. Lett. 82, 4843 (1999)]. A full Coulomb, multielectron formalism of line broadening due to perturbation by plasma electrons will be presented. A red line shift and asymmetries arise naturally from employing a full Coulomb expression for themore » perturber-radiator interaction, rather than applying the dipole approximation. This formalism can now be applied to arbitrary multielectron radiating ions.« less

Long-Range Repulsion Between Spatially Confined van der Waals Dimers

NASA Astrophysics Data System (ADS)

Sadhukhan, Mainak; Tkatchenko, Alexandre

2017-05-01

It is an undisputed textbook fact that nonretarded van der Waals (vdW) interactions between isotropic dimers are attractive, regardless of the polarizability of the interacting systems or spatial dimensionality. The universality of vdW attraction is attributed to the dipolar coupling between fluctuating electron charge densities. Here, we demonstrate that the long-range interaction between spatially confined vdW dimers becomes repulsive when accounting for the full Coulomb interaction between charge fluctuations. Our analytic results are obtained by using the Coulomb potential as a perturbation over dipole-correlated states for two quantum harmonic oscillators embedded in spaces with reduced dimensionality; however, the long-range repulsion is expected to be a general phenomenon for spatially confined quantum systems. We suggest optical experiments to test our predictions, analyze their relevance in the context of intermolecular interactions in nanoscale environments, and rationalize the recent observation of anomalously strong screening of the lateral vdW interactions between aromatic hydrocarbons adsorbed on metal surfaces.

Nonlocal gradient corrections to the exchange free energy of an inhomogeneous many-fermion system at finite temperature

NASA Astrophysics Data System (ADS)

Geldart, D. J. W.; Dunlap, E.; Glasser, M. L.; Shegelski, Mark R. A.

1993-10-01

A general exact result is derived for the coefficient B x( n; T) which determines the first gradient correction to the leading exchange contribution to the free energy at finite temperature of a weakly inhomogeneous extended many fermion system having arbitrary two-body interactions. Explicit analytical results are given in the case of bare Coulomb interactions, and the case of statically screened Coulomb interactions is studied numerically. It is shown that nonanalytical structure leads to different limiting values of B x( n; T) when the inverse screening length and the temperature are both small. Some implications for physical many-electron systems are discussed, including the reasons for discrepancies between the first principles and semiempirical gradient coefficients for atomic exchange energies.

Effects of gas interparticle interaction on dissipative wake-mediated forces.

PubMed

Kliushnychenko, O V; Lukyanets, S P

2017-01-01

We examine how the short-range repulsive interaction in a gas of Brownian particles affects behavior of the nonequilibrium depletion forces between obstacles embedded into the gas flow. It is shown that for an ensemble of small and widely separated obstacles the dissipative wake-mediated interaction belongs to the type of induced dipole-dipole interaction governed by an anisotropic screened Coulomb-like potential. For closely located obstacles, formation of a common density perturbation "coat" around them leads to enhancement of dissipative interaction, manifested by characteristic peaks in its dependence on both the bath fraction and the external driving field. Moreover, additional screening of the gas flow due to nonlinear blockade effect gives rise to generation of a pronounced step-like profile of gas density distribution around the obstacles. This can lead to additional enhancement of dissipative interaction between obstacles. The possibility of the dissipative pairing effect and dissipative interaction switching provoked by wake inversion is briefly discussed. All the results are obtained within the classical lattice-gas model.

Spontaneous time reversal symmetry breaking in atomically confined two-dimensional impurity bands in silicon and germanium

NASA Astrophysics Data System (ADS)

Ghosh, Arindam

Three-dimensional bulk-doped semiconductors, in particular phosphorus (P)-doped silicon (Si) and germanium (Ge), are among the best studied systems for many fundamental concepts in solid state physics, ranging from the Anderson metal-insulator transition to the many-body Coulomb interaction effects on quantum transport. Recent advances in material engineering have led to vertically confined doping of phosphorus (P) atoms inside bulk crystalline silicon and germanium, where the electron transport occurs through one or very few atomic layers, constituting a new and unique platform to investigate many of these phenomena at reduced dimensions. In this talk I shall present results of extensive quantum transport experiments in delta-doped silicon and germanium epilayers, over a wide range of doping density that allow independent tuning of the on-site Coulomb interaction and hopping energy scales. We find that low-frequency flicker noise, or the 1 / f noise, in the electrical conductance of these systems is exceptionally low, and in fact among the lowest when compared with other low-dimensional materials. This is attributed to the physical separation of the conduction electrons, embedded inside the crystalline semiconductor matrix, from the charged fluctuators at the surface. Most importantly, we find a remarkable suppression of weak localization effects, including the quantum correction to conductivity and universal conductance fluctuations, with decreasing doping density or, equivalently, increasing effective on-site Coulomb interaction. In-plane magneto-transport measurements indicate the presence of intrinsic local spin fluctuations at low doping although no signatures of long range magnetic order could be identified. We argue that these results indicate a spontaneous breakdown of time reversal symmetry, which is one of the most fundamental and robust symmetries of nonmagnetic quantum systems. While the microscopic origin of this spontaneous time reversal symmetry breaking remains unknown, we believe this indicates a new many-body electronic phase in two-dimensionally doped silicon and germanium with a half-filled impurity band. We acknowledge financial support from Department of Science and Technology, Government of India, and Australia-India Strategic Research Fund (AISRF).

"Coulombic Viscosity" In Granular Materials: Planetary and Astrophysical Implications

NASA Astrophysics Data System (ADS)

Marshall, J. R.

1999-09-01

The term "Coulombic viscosity" is introduced here to define an empirically observed phenomenon from experiments conducted in both microgravity, and in ground-based 1-g conditions. In the latter case, a sand attrition device was employed to test the longevity of aeolian materials by creating two intersecting grain-circulation paths or cells that would lead to most of the grain energy being expended on grain-to-grain collisions (simulating dune systems). In the areas in the device where gravitationally-driven grain-slurries recycled the sand, the slurries moved with a boundary-layer impeded motion down the chamber walls. Excessive electrostatic charging of the grains during these experiments was prevented by the use of an a.c. corona (created by a Tesla coil) through which the grains passed on every cycle. This created both positive and negative ions which neutralized the triboelectrically-generated grain charges. When the corona was switched on, the velocity of the wall-attached slurries increased by a factor of two as approximately determined by direct observation. What appeared to be a freely-flowing slurry of grains impeded only by intergranular mechanical friction, had obviously been significantly retarded in its motion by electrostatic forces between the grains; with the charging reduced, the grains were able to move past one another without a flow "viscosity" imposed by the Coulombic intergranular forces. A similar phenomenon was observed during microgravity experiments aboard Space Shuttle in USML-1 & USML-2 spacelabs where freely-suspended clouds of sand were being investigated for their potential to for-m aggregates. In this environment, the grains were also charged electrostatically (by natural processes prior to flight), but were free from the intervention of gravity in their interactions. The grains were dispersed into dense clouds by bursts of air turbulence and allowed to form aggregates as the ballistic and turbulent motions damped out. During this very brief (30-60 sec) damping period, motion of the grains was observed to be retarded by the electrostatic interactions. The fact that the grains almost instantly formed aggregates was evidence that their ballistic motions had been constrained and redirected by the dipole-dipole interactions that led to filamentary aggregate development. Undoubtedly, the "Coulombic viscosity" of the cloud assisted in damping grain motion so rapidly. The electrostatically-induced grain-cloud viscosity or drag exerted on grain motion, is a complex function of three major parameters: charge magnitude, charge sign, and mean intergranular distance. The above experiments illustrate one particular type of granular behavior. The discussion here will therefore be restricted to drag relationships: (a) between grains that are naturally charged triboelectrically and thus exhibit dipole-dipole attractions between one another even if there are slight net charges present (which can be overwhelmed by dipole coupling at short distances), and (b) between grains that are densely spaced where the intergranular distance varies between zero and some value (usually tens or hundreds of grain diameters) that permits each grain to detect the dipole moment of another grain -- the distance is not so great that other grains appears as neutral electrical "singularities. I. Aeolian transport: During motion of grains in a saltation cloud (on Earth, Mars, or Venus), triboelectric charging must occur as a result of multiple grain contacts, and by friction with the entraining air. A situation might develop that is similar to the one described above in the attrition device: grain motion becoming significantly retarded (reduced flux) as grains find it increasingly difficult to either separate from the surface, or to pass one another without Coulombic retarding forces. A "Coulombic drag" will exist at flux initiation and increase with time to work in direct opposition to the aerodynamic drag that drives the grain motion. It is predicted that this will lead to an increase with time of both the aerodynamic and bed-dilatancy thresholds (3). Because of Paschen discharge effects in the martian atmosphere, the electrostatic charging in a saltation cloud may be partially abated, but this will lead to greater grain mobility, more charging, and thus to a charge-discharge steady state mediated by mechanical interactions. II. Dry colluvial systems: Sand avalanches on dunes, dry debris flows, talus flows, avalanches, and pyroclastic surges are examples of gravity-driven, dense granular flows where rock/grain fragmentation and grain-to-grain interactions cause triboelectrification (sometimes augmented by other electrical charging processes), and where the grain densities of the systems are such that strong dipole-dipole interactions between grains might be expected to be present. Because it is expected that the Coulombic forces between grains will cause a sluggishness or enhanced granular-flow viscosity, the motion of a grain mass will be retarded or damped so that this will assist, ultimately, in terminating the flow. The greatest Coulombic viscosity will be created in the most highly charged systems, which will also be the most energetic. Thus, grain flows have some tendency to be self-limiting by internal energy partitioning; gravitational potential is converted to Coulombic potential, which manifests itself as a drag force between the grains. III. Volcanic eruption plumes and impact ejecta curtains: The violence of these systems leads to powerful electrical charging of particulates. Lightning storms emanating from volcanic plumes are a testimony to the levels of charging. As pyroclastic grains interact forcefully and frequently within eruption plumes, it is reasonable to predict that the internal turbulent motions of the plume will be significantly damped by the Coulombic viscosity exerted by grain charges. Additional information is contained in the original.

"Coulombic Viscosity" In Granular Materials: Planetary and Astrophysical Implications

NASA Technical Reports Server (NTRS)

Marshall, J. R.

1999-01-01

The term "Coulombic viscosity" is introduced here to define an empirically observed phenomenon from experiments conducted in both microgravity, and in ground-based 1-g conditions. In the latter case, a sand attrition device was employed to test the longevity of aeolian materials by creating two intersecting grain-circulation paths or cells that would lead to most of the grain energy being expended on grain-to-grain collisions (simulating dune systems). In the areas in the device where gravitationally-driven grain-slurries recycled the sand, the slurries moved with a boundary-layer impeded motion down the chamber walls. Excessive electrostatic charging of the grains during these experiments was prevented by the use of an a.c. corona (created by a Tesla coil) through which the grains passed on every cycle. This created both positive and negative ions which neutralized the triboelectrically-generated grain charges. When the corona was switched on, the velocity of the wall-attached slurries increased by a factor of two as approximately determined by direct observation. What appeared to be a freely-flowing slurry of grains impeded only by intergranular mechanical friction, had obviously been significantly retarded in its motion by electrostatic forces between the grains; with the charging reduced, the grains were able to move past one another without a flow "viscosity" imposed by the Coulombic intergranular forces. A similar phenomenon was observed during microgravity experiments aboard Space Shuttle in USML-1 & USML-2 spacelabs where freely-suspended clouds of sand were being investigated for their potential to for-m aggregates. In this environment, the grains were also charged electrostatically (by natural processes prior to flight), but were free from the intervention of gravity in their interactions. The grains were dispersed into dense clouds by bursts of air turbulence and allowed to form aggregates as the ballistic and turbulent motions damped out. During this very brief (30-60 sec) damping period, motion of the grains was observed to be retarded by the electrostatic interactions. The fact that the grains almost instantly formed aggregates was evidence that their ballistic motions had been constrained and redirected by the dipole-dipole interactions that led to filamentary aggregate development. Undoubtedly, the "Coulombic viscosity" of the cloud assisted in damping grain motion so rapidly. The electrostatically-induced grain-cloud viscosity or drag exerted on grain motion, is a complex function of three major parameters: charge magnitude, charge sign, and mean intergranular distance. The above experiments illustrate one particular type of granular behavior. The discussion here will therefore be restricted to drag relationships: (a) between grains that are naturally charged triboelectrically and thus exhibit dipole-dipole attractions between one another even if there are slight net charges present (which can be overwhelmed by dipole coupling at short distances), and (b) between grains that are densely spaced where the intergranular distance varies between zero and some value (usually tens or hundreds of grain diameters) that permits each grain to detect the dipole moment of another grain -- the distance is not so great that other grains appears as neutral electrical "singularities. I. Aeolian transport: During motion of grains in a saltation cloud (on Earth, Mars, or Venus), triboelectric charging must occur as a result of multiple grain contacts, and by friction with the entraining air. A situation might develop that is similar to the one described above in the attrition device: grain motion becoming significantly retarded (reduced flux) as grains find it increasingly difficult to either separate from the surface, or to pass one another without Coulombic retarding forces. A "Coulombic drag" will exist at flux initiation and increase with time to work in direct opposition to the aerodynamic drag that drives the grain motion. It is predicted that this will lead to an increase with time of both the aerodynamic and bed-dilatancy thresholds (3). Because of Paschen discharge effects in the martian atmosphere, the electrostatic charging in a saltation cloud may be partially abated, but this will lead to greater grain mobility, more charging, and thus to a charge-discharge steady state mediated by mechanical interactions. II. Dry colluvial systems: Sand avalanches on dunes, dry debris flows, talus flows, avalanches, and pyroclastic surges are examples of gravity-driven, dense granular flows where rock/grain fragmentation and grain-to-grain interactions cause triboelectrification (sometimes augmented by other electrical charging processes), and where the grain densities of the systems are such that strong dipole-dipole interactions between grains might be expected to be present. Because it is expected that the Coulombic forces between grains will cause a sluggishness or enhanced granular-flow viscosity, the motion of a grain mass will be retarded or damped so that this will assist, ultimately, in terminating the flow. The greatest Coulombic viscosity will be created in the most highly charged systems, which will also be the most energetic. Thus, grain flows have some tendency to be self-limiting by internal energy partitioning; gravitational potential is converted to Coulombic potential, which manifests itself as a drag force between the grains. III. Volcanic eruption plumes and impact ejecta curtains: The violence of these systems leads to powerful electrical charging of particulates. Lightning storms emanating from volcanic plumes are a testimony to the levels of charging. As pyroclastic grains interact forcefully and frequently within eruption plumes, it is reasonable to predict that the internal turbulent motions of the plume will be significantly damped by the Coulombic viscosity exerted by grain charges. Additional information is contained in the original.

Massive Photons: An Infrared Regularization Scheme for Lattice QCD+QED.

PubMed

Endres, Michael G; Shindler, Andrea; Tiburzi, Brian C; Walker-Loud, André

2016-08-12

Standard methods for including electromagnetic interactions in lattice quantum chromodynamics calculations result in power-law finite-volume corrections to physical quantities. Removing these by extrapolation requires costly computations at multiple volumes. We introduce a photon mass to alternatively regulate the infrared, and rely on effective field theory to remove its unphysical effects. Electromagnetic modifications to the hadron spectrum are reliably estimated with a precision and cost comparable to conventional approaches that utilize multiple larger volumes. A significant overall cost advantage emerges when accounting for ensemble generation. The proposed method may benefit lattice calculations involving multiple charged hadrons, as well as quantum many-body computations with long-range Coulomb interactions.

Interatomic Coulombic Decay Effects in Theoretical DNA Recombination Systems Involving Protein Interaction Sites

NASA Astrophysics Data System (ADS)

Vargas, E. L.; Rivas, D. A.; Duot, A. C.; Hovey, R. T.; Andrianarijaona, V. M.

2015-03-01

DNA replication is the basis for all biological reproduction. A strand of DNA will ``unzip'' and bind with a complimentary strand, creating two identical strands. In this study, we are considering how this process is affected by Interatomic Coulombic Decay (ICD), specifically how ICD affects the individual coding proteins' ability to hold together. ICD mainly deals with how the electron returns to its original state after excitation and how this affects its immediate atomic environment, sometimes affecting the connectivity between interaction sites on proteins involved in the DNA coding process. Biological heredity is fundamentally controlled by DNA and its replication therefore it affects every living thing. The small nature of the proteins (within the range of nanometers) makes it a good candidate for research of this scale. Understanding how ICD affects DNA molecules can give us invaluable insight into the human genetic code and the processes behind cell mutations that can lead to cancer. Authors wish to give special thanks to Pacific Union College Student Senate in Angwin, California, for their financial support.

Multi-excitonic (N=1,2 and 3) quantum dots in magnetic field: Analytical mapping of correlations (exchange) by multipole expansion

NASA Astrophysics Data System (ADS)

Singh, Sunny; Kaur, Harsimran; Sharma, Shivalika; Aggarwal, Priyanka; Hazra, Ram Kuntal

2017-04-01

The understanding of the physics of exciton, bi-exciton, tri-exciton and the subsequent insight into controlling the properties of mesoscopic systems holds the key to various exotic optical, electrical and magnetic phenomena like superconductivity, Mott insulation, Quantum Hall effect etc. Many of exciton properties are similar to atomic hydrogen that attracts researchers to explore electronic structure of exciton in quantum dots, but nontriviality arises due to coulombic interactions among electrons and holes. We propose an exact integral of coulomb (exchange) correlation in terms of finitely summed Lauricella functions to examine 3-D exciton of harmonic dots confined in zero and non-zero arbitrary magnetic field. The highlight of our work is the use of exact variational solution for coloumbic interaction between the hole and the electron and evaluation of the cross terms arising out of the coupling among centre-of-mass and relative coordinates. We also have extended the size of the system to generalized N-body problem with N=3,4 for tri-exciton (e-e-h/e-h-h)

Electrostatic interactions guide the active site face of a structure-specific ribonuclease to its RNA substrate.

PubMed

Plantinga, Matthew J; Korennykh, Alexei V; Piccirilli, Joseph A; Correll, Carl C

2008-08-26

Restrictocin, a member of the alpha-sarcin family of site-specific endoribonucleases, uses electrostatic interactions to bind to the ribosome and to RNA oligonucleotides, including the minimal specific substrate, the sarcin/ricin loop (SRL) of 23S-28S rRNA. Restrictocin binds to the SRL by forming a ground-state E:S complex that is stabilized predominantly by Coulomb interactions and depends on neither the sequence nor structure of the RNA, suggesting a nonspecific complex. The 22 cationic residues of restrictocin are dispersed throughout this protein surface, complicating a priori identification of a Coulomb interacting surface. Structural studies have identified an enzyme-substrate interface, which is expected to overlap with the electrostatic E:S interface. Here, we identified restrictocin residues that contribute to binding in the E:S complex by determining the salt dependence [partial differential log(k 2/ K 1/2)/ partial differential log[KCl

Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

NASA Astrophysics Data System (ADS)

Azadi, Sam; Kühne, T. D.

2018-05-01

The magnitude of finite-size effects and Coulomb interactions in quantum Monte Carlo simulations of van der Waals interactions between weakly bonded benzene molecules are investigated. To that extent, two trial wave functions of the Slater-Jastrow and Backflow-Slater-Jastrow types are employed to calculate the energy-volume equation of state. We assess the impact of the backflow coordinate transformation on the nonlocal correlation energy. We found that the effect of finite-size errors in quantum Monte Carlo calculations on energy differences is particularly large and may even be more important than the employed trial wave function. In addition to the cohesive energy, the singlet excitonic energy gap and the energy gap renormalization of crystalline benzene at different densities are computed.

Fidelity study of superconductivity in extended Hubbard models

NASA Astrophysics Data System (ADS)

Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

2015-07-01

The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

Remote Spacecraft Attitude Control by Coulomb Charging

NASA Astrophysics Data System (ADS)

Stevenson, Daan

The possibility of inter-spacecraft collisions is a serious concern at Geosynchronous altitudes, where many high-value assets operate in proximity to countless debris objects whose orbits experience no natural means of decay. The ability to rendezvous with these derelict satellites would enable active debris removal by servicing or repositioning missions, but docking procedures are generally inhibited by the large rotational momenta of uncontrolled satellites. Therefore, a contactless means of reducing the rotation rate of objects in the space environment is desired. This dissertation investigates the viability of Coulomb charging to achieve such remote spacecraft attitude control. If a servicing craft imposes absolute electric potentials on a nearby nonspherical debris object, it will impart electrostatic torques that can be used to gradually arrest the object's rotation. In order to simulate the relative motion of charged spacecraft with complex geometries, accurate but rapid knowledge of the Coulomb interactions is required. To this end, a new electrostatic force model called the Multi-Sphere Method (MSM) is developed. All aspects of the Coulomb de-spin concept are extensively analyzed and simulated using a system with simplified geometries and one dimensional rotation. First, appropriate control algorithms are developed to ensure that the nonlinear Coulomb torques arrest the rotation with guaranteed stability. Moreover, the complex interaction of the spacecraft with the plasma environment and charge control beams is modeled to determine what hardware requirements are necessary to achieve the desired electric potential levels. Lastly, the attitude dynamics and feedback control development is validated experimentally using a scaled down terrestrial testbed. High voltage power supplies control the potential on two nearby conductors, a stationary sphere and a freely rotating cylinder. The nonlinear feedback control algorithms developed above are implemented to achieve rotation rate and absolute attitude control. Collectively, these studies decisively validate the feasibility of Coulomb charging for remote spacecraft attitude control.

Photodetachment of Zwitterions: Probing Intramolecular Coulomb Repulsion and Attraction in the Gas Phase Using Pyridinium Dicarboxylate Anions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Xue B.; Dacres, J E.; Yang, Xin

2003-10-23

Zwitterions are critically important in many biological transformations and are used in numerous chemical processes. The consequences of electrostatic effects on reactivity and physical properties, however, are largely unknown. In this work, we report the results of negative ion photoelectron spectra of nine isomeric pyridinium dicarboxylate zwitterions and three nonzwitterionic methoxycarbonylpyridine carboxylate isomers (-O(2)CPyrCO(2)CH(3)). Information about the intramolecular electrostatic interactions was directly obtained from the photoelectron spectra. The adiabatic and vertical detachment energies were measured and understood in terms of intramolecular Coulombic forces. Calculations at the B3LYP and CCSD(T) level were performed and compared to the experimental electron binding energies.more » Structures, relative stabilities, and the electron detachment sites also were obtained from the calculations.« less

Negative quantum capacitance induced by midgap states in single-layer graphene.

PubMed

Wang, Lin; Wang, Yang; Chen, Xiaolong; Zhu, Wei; Zhu, Chao; Wu, Zefei; Han, Yu; Zhang, Mingwei; Li, Wei; He, Yuheng; Xiong, Wei; Law, Kam Tuen; Su, Dangsheng; Wang, Ning

2013-01-01

We demonstrate that single-layer graphene (SLG) decorated with a high density of Ag adatoms displays the unconventional phenomenon of negative quantum capacitance. The Ag adatoms act as resonant impurities and form nearly dispersionless resonant impurity bands near the charge neutrality point (CNP). Resonant impurities quench the kinetic energy and drive the electrons to the Coulomb energy dominated regime with negative compressibility. In the absence of a magnetic field, negative quantum capacitance is observed near the CNP. In the quantum Hall regime, negative quantum capacitance behavior at several Landau level positions is displayed, which is associated with the quenching of kinetic energy by the formation of Landau levels. The negative quantum capacitance effect near the CNP is further enhanced in the presence of Landau levels due to the magnetic-field-enhanced Coulomb interactions.

Negative Quantum Capacitance Induced by Midgap States in Single-layer Graphene

PubMed Central

Wang, Lin; Wang, Yang; Chen, Xiaolong; Zhu, Wei; Zhu, Chao; Wu, Zefei; Han, Yu; Zhang, Mingwei; Li, Wei; He, Yuheng; Xiong, Wei; Law, Kam Tuen; Su, Dangsheng; Wang, Ning

2013-01-01

We demonstrate that single-layer graphene (SLG) decorated with a high density of Ag adatoms displays the unconventional phenomenon of negative quantum capacitance. The Ag adatoms act as resonant impurities and form nearly dispersionless resonant impurity bands near the charge neutrality point (CNP). Resonant impurities quench the kinetic energy and drive the electrons to the Coulomb energy dominated regime with negative compressibility. In the absence of a magnetic field, negative quantum capacitance is observed near the CNP. In the quantum Hall regime, negative quantum capacitance behavior at several Landau level positions is displayed, which is associated with the quenching of kinetic energy by the formation of Landau levels. The negative quantum capacitance effect near the CNP is further enhanced in the presence of Landau levels due to the magnetic-field-enhanced Coulomb interactions. PMID:23784258

Effect of cutoff radius, long range interaction and temperature controller on thermodynamic properties of fluids: Methanol as an example

NASA Astrophysics Data System (ADS)

Obeidat, Abdalla; Jaradat, Adnan; Hamdan, Bushra; Abu-Ghazleh, Hind

2018-04-01

The best spherical cutoff radius, long range interaction and temperature controller were determined using surface tension, density, and diffusion coefficients of van Leeuwen and Smit methanol. A quite good range of cutoff radii from 0.75 to 1.45 nm has been studied on Coulomb cut-off and particle mesh Ewald (PME) long range interaction to determine the best cutoff radius and best long range interaction as well for four sets of temperature: 200, 230, 270 and 300 K. To determine the best temperature controller, the cutoff radius of 1.25 nm was fixed using PME long range interaction on calculating the above properties at low temperature range: 200-300 K.

Isospin dependence of fragment spectra in heavy/super-heavy colliding nuclei at intermediate energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chugh, Rajiv, E-mail: rajivchug@gmail.com; Kumar, Rohit, E-mail: rohitksharma.pu@gmail.com; Vinayak, Karan Singh, E-mail: drksvinayak@gmail.com

2016-05-06

Using isospin-dependent quantum molecular dynamics (IQMD) approach, we performed a theoretical investigation of the evolution of various kinds of fragments in heavy and superheavy-ion reactions in the intermediate/medium energy domain. We demonstrated direct impact of symmetry energy and Coulomb interactions on the evolution of fragments. Final fragment spectra (yields) obtained from the analysis of various heavy/super-heavy ion reactions at different reaction conditions show high sensitivity towards Coulomb interactions and less significant sensitivity to symmetry energy forms. No inconsistent pattern of fragment structure is obtained in case of super-heavy ion involved reactions for all the parameterizations of density dependence of symmetrymore » energy.« less

Thermal algebraic-decay charge liquid driven by competing short-range Coulomb repulsion

NASA Astrophysics Data System (ADS)

Kaneko, Ryui; Nonomura, Yoshihiko; Kohno, Masanori

2018-05-01

We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a Z6 anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newton, Marshall D.

Extension of the Förster analogue for the ET rate constant (based on virtual intermediate electron detachment or attachment states) with inclusion of site–site correlation due to coulomb terms associated with solvent reorganization energy and the driving force, has been developed and illustrated for a simple three-state, two-mode model. Furthermore, the model is applicable to charge separation (CS), recombination (CR), and shift (CSh) ET processes, with or without an intervening bridge. The model provides a unified perspective on the role of virtual intermediate states in accounting for the thermal Franck–Condon weighted density of states (FCWD), the gaps controlling superexchange coupling, andmore » mean absolute redox potentials, with full accommodation of site–site coulomb interactions. We analyzed two types of correlation: aside from the site–site correlation due to coulomb interactions, we have emphasized the intrinsic “nonorthogonality” which generally pertains to reaction coordinates (RCs) for different ET processes involving multiple electronic states, as may be expressed by suitably defined direction cosines (cos(θ)). A pair of RCs may be nonorthogonal even when the site–site coulomb correlations are absent. While different RCs are linearly independent in the mathematical sense for all θ ≠ 0°, they are independent in the sense of being “uncorrelated” only in the limit of orthogonality (θ = 90°). There is application to more than two coordinates is straightforward and may include both discrete and continuum contributions.« less

First-principles investigation of quantum transport through an endohedral N@C60 in the Coulomb blockade regime.

PubMed

Yu, Zhizhou; Chen, Jian; Zhang, Lei; Wang, Jian

2013-12-11

We report an investigation of Coulomb blockade transport through an endohedral N@C60 weakly coupled with aluminum leads, employing the first-principles method combined with the Keldysh non-equilibrium Green's function derived from the equation of motion beyond the Hartree-Fock approximation. The differential conductance characteristics of the molecular device are calculated within the Coulomb blockade regime, which shows the Coulomb diamond as observed experimentally. When the gate voltage is less than that of the degeneracy point, there are two peaks in the differential conductance with an excited state induced by the change of the exchange interaction between the spin of C60 and the encapsulated nitrogen atom due to the transition from N@C(1-)(60) to N@C(2-)(60), while for a gate voltage larger than that of the degeneracy point, no excited state is available due to the quenching of exchange energy. As a result, there is only one Coulomb blockade peak in the differential conductance from the electron tunneling through the highest energy level below the Fermi level. Our first-principles results are in good agreement with experimental data obtained by an endohedral N@C60 molecular device.

Below-threshold harmonic generation from strong non-uniform fields

NASA Astrophysics Data System (ADS)

Yavuz, I.

2017-10-01

Strong-field photoemission below the ionization threshold is a rich/complex region where atomic emission and harmonic generation may coexist. We studied the mechanism of below-threshold harmonics (BTH) from spatially non-uniform local fields near the metallic nanostructures. Discrete harmonics are generated due to the broken inversion symmetry, suggesting enriched coherent emission in the vuv frequency range. Through the numerical solution of the time-dependent Schrödinger equation, we investigate wavelength and intensity dependence of BTH. Wavelength dependence identifies counter-regular resonances; individual contributions from the multi-photon emission and channel-closing effects due to quantum path interferences. In order to understand the underlying mechanism of BTH, we devised a generalized semi-classical model, including the influence of Coulomb and non-uniform field interactions. As in uniform fields, Coulomb potential in non-uniform fields is the determinant of BTH; we observed that the generation of BTH are due to returning trajectories with negative energies. Due to large distance effectiveness of the non-uniformity, only long trajectories are noticeably affected.

Investigations of Few-Nucleon System Dynamics in Medium Energy Domain

NASA Astrophysics Data System (ADS)

Ciepał, I.; Kłos, B.; Kistryn, St.; Stephan, E.; Biegun, A.; Bodek, K.; Deltuva, A.; Epelbaum, E.; Eslami-Kalantari, M.; Fonseca, A. C.; Golak, J.; Jha, V.; Kalantar-Nayestanaki, N.; Kamada, H.; Khatri, G.; Kirillov, Da.; Kirillov, Di.; Kliczewski, St.; Kozela, A.; Kravcikova, M.; Machner, H.; Magiera, A.; Martinska, G.; Messchendorp, J.; Nogga, A.; Parol, W.; Ramazani-Moghaddam-Arani, A.; Roy, B. J.; Sakai, H.; Sekiguchi, K.; Sitnik, I.; Siudak, R.; Skibiński, R.; Sworst, R.; Urban, J.; Witała, H.; Wrońska, A.; Zejma, J.

2013-08-01

Precise and large set of cross sections, vector A x , A y and tensor A xx , A xy , A yy analyzing powers for the 1 H( d, pp) n breakup reactions were measured at 100 and 130 MeV deuteron beam energies with the use of the SALAD and BINA detectors at KVI and Germanium Wall setup at FZ-Jülich. Results are compared with various theoretical approaches which model the three-nucleon (3N) system dynamics. The calculations are based on different two-nucleon (2N) potentials which can be combined with models of the three-nucleon force (3NF) and other pieces of the dynamics can also be included like the Coulomb interaction and relativistic effects. The cross sections data reveal seizable 3NF and Coulomb force influence. In case of analyzing powers very low sensitivity to the effects was found and the data are well describe by 2N models only. At 130 MeV for A xy serious disagreements appear when 3NF models are included into calculations.

Theoretical study of (e, 2e) process of atomic and molecular targets*

NASA Astrophysics Data System (ADS)

Houamer, Salim; Chinoune, Mehdi; Cappello, Claude Dal

2017-01-01

Triple differential ionization cross sections (TDCSs) by electron impact are calculated for some atomic and molecular targets by using several models where Post Collisional Interaction (PCI) is taken in account. We also investigate the effect of the short range potential and describe the ejected electron either by a Coulomb wave or by a distorted wave. Significant differences are observed between these models. A better agreement with experimental data is achieved when the short range potential and distortion effects are included.

Coulomb fission in dielectric dication clusters: experiment and theory on steps that may underpin the electrospray mechanism.

PubMed

Chen, Xiaojing; Bichoutskaia, Elena; Stace, Anthony J

2013-05-16

A series of five molecular dication clusters, (H2O)n(2+), (NH3)n(2+), (CH3CN)n(2+), (C5H5N)n(2+), and (C6H6)n(2+), have been studied for the purpose of identifying patterns of behavior close to the Rayleigh instability limit where the clusters might be expected to exhibit Coulomb fission. Experiments show that the instability limit for each dication covers a range of sizes and that on a time scale of 10(-4) s ions close to the limit can undergo either Coulomb fission or neutral evaporation. The observed fission pathways exhibit considerable asymmetry in the sizes of the charged fragments, and are associated with kinetic (ejection) energies of ~0.9 eV. Coulomb fission has been modeled using a theory recently formulated to describe how charged particles of dielectric materials interact with one another (Bichoutskaia et al. J. Chem. Phys. 2010, 133, 024105). The calculated electrostatic interaction energy between separating fragments accounts for the observed asymmetric fragmentation and for the magnitudes of the measured ejection energies. The close match between theory and experiment suggests that a significant fraction of excess charge resides on the surfaces of the fragment ions. The experiments provided support for a fundamental step in the electrospray ionization (ESI) mechanism, namely the ejection from droplets of small solvated charge carriers. At the same time, the theory shows how water and acetonitrile may behave slightly differently as ESI solvents. However, the theory also reveals deficiencies in the point-charge image-charge model that has previously been used to quantify Coulomb fission in the electrospray process.

Numerical Study of Charged Inertial Particles in Turbulence using a Coupled Fluid-P3M Approach

NASA Astrophysics Data System (ADS)

Yao, Yuan; Capecelatro, Jesse

2017-11-01

Non-trivial interactions between charged particles and turbulence play an important role in many engineering and environmental flows, including clouds, fluidized bed reactors, charged hydrocarbon sprays and dusty plasmas. Due to the long-range nature of electrostatic forces, Coulomb interactions in systems with many particles must be handled carefully to avoid O(N2) computations. The particle-mesh (PM) method is typically employed in Eulerian-Lagrangian (EL) simulations as it avoids computing direct pairwise sums, but it fails to capture short-range interactions that are anticipated to be important when particles cluster. In this presentation, the particle-particle-particle-mesh (P3M) method that scales with O(NlogN) is implemented within a EL framework to simulate charged particles accurately in a tractable manner. The EL-P3M method is used to assess the competition between drag and Coulomb forces for a range of Stokes numbers and charges. Simulations of like- and oppositely-charged particles suspended in a two-dimensional Taylor-Green vortex and three-dimensional homogeneous isotropic turbulence are reported. One-point and two-point statistics obtained using PM and P3M are compared to assess the effect of added accuracy on collision rate and clustering.

Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation

NASA Astrophysics Data System (ADS)

Zhao, Yanxiang; Kwan, Yuen-Yick; Che, Jianwei; Li, Bo; McCammon, J. Andrew

2013-07-01

A phase-field variational implicit-solvent approach is developed for the solvation of charged molecules. The starting point of such an approach is the representation of a solute-solvent interface by a phase field that takes one value in the solute region and another in the solvent region, with a smooth transition from one to the other on a small transition layer. The minimization of an effective free-energy functional of all possible phase fields determines the equilibrium conformations and free energies of an underlying molecular system. All the surface energy, the solute-solvent van der Waals interaction, and the electrostatic interaction are coupled together self-consistently through a phase field. The surface energy results from the minimization of a double-well potential and the gradient of a field. The electrostatic interaction is described by the Coulomb-field approximation. Accurate and efficient methods are designed and implemented to numerically relax an underlying charged molecular system. Applications to single ions, a two-plate system, and a two-domain protein reveal that the new theory and methods can capture capillary evaporation in hydrophobic confinement and corresponding multiple equilibrium states as found in molecular dynamics simulations. Comparisons of the phase-field and the original sharp-interface variational approaches are discussed.

Shakeoff Ionization near the Coulomb Barrier Energy.

PubMed

Sharma, Prashant; Nandi, T

2017-11-17

We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (∼10^{-21}  sec) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.

Shakeoff Ionization near the Coulomb Barrier Energy

NASA Astrophysics Data System (ADS)

Sharma, Prashant; Nandi, T.

2017-11-01

We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (˜10-21 sec ) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.

Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions.

PubMed

Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

2015-05-07

We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to the (equal) mean charges on the two surfaces and the osmotic pressure of monovalent ions residing between them. These effects can be quite significant even with a small degree of surface charge disorder relative to the mean surface charge. The strong coupling, disorder-induced attraction is typically much stronger than the van der Waals interaction between the surfaces, especially within a range of several nanometers for the inter-surface separation, where such effects are predicted to be most pronounced.

Elliptic flow from Coulomb interaction and low density elastic scattering

NASA Astrophysics Data System (ADS)

Sun, Yuliang; Li, Qingfeng; Wang, Fuqiang

2018-04-01

In high energy heavy ion collisions and interacting cold atom systems, large elliptic flow anisotropies have been observed. For the large opacity (ρ σ L ˜103 ) of the latter hydrodynamics is a natural consequence, but for the small opacity (ρ σ L ˜1 ) of the former the hydrodynamic description is questionable. To shed light onto the situation, we simulate the expansion of a low density argon ion (or atom) system, initially trapped in an elliptical region, under the Coulomb interaction (or elastic scattering). Significant elliptic anisotropy is found in both cases, and the anisotropy depends on the initial spatial eccentricity and the density of the system. The results may provide insights into the physics of anisotropic flow in high energy heavy ion collisions and its role in the study of quantum chromodynamics.

Excitons in Core-Shell Nanowires with Polygonal Cross Sections.

PubMed

Sitek, Anna; Urbaneja Torres, Miguel; Torfason, Kristinn; Gudmundsson, Vidar; Bertoni, Andrea; Manolescu, Andrei

2018-04-11

The distinctive prismatic geometry of semiconductor core-shell nanowires leads to complex localization patterns of carriers. Here, we describe the formation of optically active in-gap excitonic states induced by the interplay between localization of carriers in the corners and their mutual Coulomb interaction. To compute the energy spectra and configurations of excitons created in the conductive shell, we use a multielectron numerical approach based on the exact solution of the multiparticle Hamiltonian for electrons in the valence and conduction bands, which includes the Coulomb interaction in a nonperturbative manner. We expose the formation of well-separated quasidegenerate levels, and focus on the implications of the electron localization in the corners or on the sides of triangular, square, and hexagonal cross sections. We obtain excitonic in-gap states associated with symmetrically distributed electrons in the spin singlet configuration. They acquire large contributions due to Coulomb interaction, and thus are shifted to much higher energies than other states corresponding to the conduction electron and the vacancy localized in the same corner. We compare the results of the multielectron method with those of an electron-hole model, and we show that the latter does not reproduce the singlet excitonic states. We also obtain the exciton lifetime and explain selection rules which govern the recombination process.

Measuring the effects of Coulomb repulsion via signal decay in an atmospheric pressure laser ionization ion mobility spectrometer.

PubMed

Ihlenborg, Marvin; Schuster, Ann-Kathrin; Grotemeyer, Juergen; Gunzer, Frank

2018-01-01

Using lasers in ion mobility spectrometry offers a lot of advantages compared to standard ionization sources. Especially, the ion yield can be drastically increased. It can, however, reach levels where the Coulomb repulsion leads to unwanted side effects. Here, we investigate how the Coulomb repulsion can be detected apart from the typical signal broadening by measuring effects created already in the reaction region and comparing them with corresponding finite element method simulations.

Slow Noncollinear Coulomb Scattering in the Vicinity of the Dirac Point in Graphene.

PubMed

König-Otto, J C; Mittendorff, M; Winzer, T; Kadi, F; Malic, E; Knorr, A; Berger, C; de Heer, W A; Pashkin, A; Schneider, H; Helm, M; Winnerl, S

2016-08-19

The Coulomb scattering dynamics in graphene in energetic proximity to the Dirac point is investigated by polarization resolved pump-probe spectroscopy and microscopic theory. Collinear Coulomb scattering rapidly thermalizes the carrier distribution in k directions pointing radially away from the Dirac point. Our study reveals, however, that, in almost intrinsic graphene, full thermalization in all directions relying on noncollinear scattering is much slower. For low photon energies, carrier-optical-phonon processes are strongly suppressed and Coulomb mediated noncollinear scattering is remarkably slow, namely on a ps time scale. This effect is very promising for infrared and THz devices based on hot carrier effects.

Enhanced Bulk-Edge Coulomb Coupling in Fractional Fabry-Perot Interferometers.

PubMed

von Keyserlingk, C W; Simon, S H; Rosenow, Bernd

2015-09-18

Recent experiments use Fabry-Perot (FP) interferometry to claim that the ν=5/2 quantum Hall state exhibits non-Abelian topological order. We note that the experiments appear inconsistent with a model neglecting bulk-edge Coulomb coupling and Majorana tunneling, so we reexamine the theory of FP devices. Even a moderate Coulomb coupling may strongly affect some fractional plateaus, but very weakly affect others, allowing us to model the data over a wide range of plateaus. While experiments are consistent with the ν=5/2 state harboring Moore-Read topological order, they may have measured Coulomb effects rather than an "even-odd effect" due to non-Abelian braiding.

Understanding the masses of elementary particles: a step towards understanding the massless photon?

NASA Astrophysics Data System (ADS)

Greulich, K. O.

2011-09-01

A so far unnoticed simple explanation of elementary particle masses is given by m = N * melectron/α, where alpha (=1/137) is the fine structure constant. On the other hand photons can be described by two oppositely oscillating clouds of e / √α elementary charges. Such a model describes a number of features of the photon in a quantitatively correct manner. For example, the energy of the oscillating clouds is E = h ν, the spin is 1 and the spatial dimension is λ / 2 π. When the charge e / √α is assigned to the Planck mass mPl, the resulting charge density is e / (mPl√α) = 8,62 * 10-11 Cb / kg. This is identical to √ (G / ko) where G is the gravitational constant and ko the Coulomb constant. When one assigns this very small charge density to any matter, gravitation can be completely described as Coulomb interaction between such charges of the corresponding masses. Thus, there is a tight quantitative connection between the photon, nonzero rest masses and gravitation / Coulomb interaction.

Coulombic charge ice

NASA Astrophysics Data System (ADS)

McClarty, P. A.; O'Brien, A.; Pollmann, F.

2014-05-01

We consider a classical model of charges ±q on a pyrochlore lattice in the presence of long-range Coulomb interactions. This model first appeared in the early literature on charge order in magnetite [P. W. Anderson, Phys. Rev. 102, 1008 (1956), 10.1103/PhysRev.102.1008]. In the limit where the interactions become short ranged, the model has a ground state with an extensive entropy and dipolar charge-charge correlations. When long-range interactions are introduced, the exact degeneracy is broken. We study the thermodynamics of the model and show the presence of a correlated charge liquid within a temperature window in which the physics is well described as a liquid of screened charged defects. The structure factor in this phase, which has smeared pinch points at the reciprocal lattice points, may be used to detect charge ice experimentally. In addition, the model exhibits fractionally charged excitations ±q/2 which are shown to interact via a 1/r potential. At lower temperatures, the model exhibits a transition to a long-range ordered phase. We are able to treat the Coulombic charge ice model and the dipolar spin ice model on an equal footing by mapping both to a constrained charge model on the diamond lattice. We find that states of the two ice models are related by a staggering field which is reflected in the energetics of these two models. From this perspective, we can understand the origin of the spin ice and charge ice ground states as coming from a dipolar model on a diamond lattice. We study the properties of charge ice in an external electric field, finding that the correlated liquid is robust to the presence of a field in contrast to the case of spin ice in a magnetic field. Finally, we comment on the transport properties of Coulombic charge ice in the correlated liquid phase.

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters

NASA Astrophysics Data System (ADS)

Guedes-Sobrinho, Diego; Chaves, Anderson S.; Piotrowski, Maurício J.; Da Silva, Juarez L. F.

2017-04-01

Although several studies have been reported for Pt55 and Au55 nanoclusters, our atomistic understanding of the interplay between the adsorbate-surface interactions and the mechanisms that lead to the formation of the distorted reduced core (DRC) structures, instead of the icosahedron (ICO) structure in gas phase, is still far from satisfactory. Here, we report a density functional theory (DFT) investigation of the role of the adsorption effects of PH3 (one lone pair of electrons) and SH2 (two lone pairs) on the relative stability of the Pt55 and Au55 nanoclusters. In gas phase, we found that the DRC structures with 7 and 9 atoms in the core region are about 5.34 eV (Pt55) and 2.20 eV (Au55) lower in energy than the ICO model with Ih symmetry and 13 atoms in the core region. However, the stability of the ICO structure increases by increasing the number of adsorbed molecules from 1 to 18, in which both DRC and ICO structures are nearly degenerate in energy at the limit of 18 ligands, which can be explained as follows. In gas phase, there is a strong compression of the cationic core region by the anionic surface atoms induced by the attractive Coulomb interactions (core+-surface-), and hence, the strain release is obtained by reducing the number of atoms in the cationic core region, which leads to the 55 atoms distorted reduced core structures. Thus, the Coulomb interactions between the core+ and surface- contribute to break the symmetry in the ICO55 structure. On the other hand, the addition of ligands on the anionic surface reduces the charge transfer between the core and surface, which contributes to decrease the Coulomb interactions and the strain on the core region of the ICO structure, and hence, it stabilizes a compact ICO structure. The same conclusion is obtained by adding van der Waals corrections to the plain DFT calculations. Similar results are obtained by the addition of steric effects, which are considered through the adsorption of triphenylphosphine (PPh3) molecules on Au55, in which the relative stability between ICO and DRC is the same as for PH3 and SH2. However, for Pt55, we found an inversion of stability due to the PPh3 ligand effects, where ICO has higher stability than DRC by 2.40 eV. Our insights are supported by several structural, electronic, and energetic analyses.

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters.

PubMed

Guedes-Sobrinho, Diego; Chaves, Anderson S; Piotrowski, Maurício J; Da Silva, Juarez L F

2017-04-28

Although several studies have been reported for Pt 55 and Au 55 nanoclusters, our atomistic understanding of the interplay between the adsorbate-surface interactions and the mechanisms that lead to the formation of the distorted reduced core (DRC) structures, instead of the icosahedron (ICO) structure in gas phase, is still far from satisfactory. Here, we report a density functional theory (DFT) investigation of the role of the adsorption effects of PH 3 (one lone pair of electrons) and SH 2 (two lone pairs) on the relative stability of the Pt 55 and Au 55 nanoclusters. In gas phase, we found that the DRC structures with 7 and 9 atoms in the core region are about 5.34 eV (Pt 55 ) and 2.20 eV (Au 55 ) lower in energy than the ICO model with I h symmetry and 13 atoms in the core region. However, the stability of the ICO structure increases by increasing the number of adsorbed molecules from 1 to 18, in which both DRC and ICO structures are nearly degenerate in energy at the limit of 18 ligands, which can be explained as follows. In gas phase, there is a strong compression of the cationic core region by the anionic surface atoms induced by the attractive Coulomb interactions (core + -surface - ), and hence, the strain release is obtained by reducing the number of atoms in the cationic core region, which leads to the 55 atoms distorted reduced core structures. Thus, the Coulomb interactions between the core + and surface - contribute to break the symmetry in the ICO 55 structure. On the other hand, the addition of ligands on the anionic surface reduces the charge transfer between the core and surface, which contributes to decrease the Coulomb interactions and the strain on the core region of the ICO structure, and hence, it stabilizes a compact ICO structure. The same conclusion is obtained by adding van der Waals corrections to the plain DFT calculations. Similar results are obtained by the addition of steric effects, which are considered through the adsorption of triphenylphosphine (PPh 3 ) molecules on Au 55 , in which the relative stability between ICO and DRC is the same as for PH 3 and SH 2 . However, for Pt 55 , we found an inversion of stability due to the PPh 3 ligand effects, where ICO has higher stability than DRC by 2.40 eV. Our insights are supported by several structural, electronic, and energetic analyses.

Effective charges and virial pressure of concentrated macroion solutions

DOE PAGES

Boon, Niels; Guerrero-García, Guillermo Ivan; van Roij, René; ...

2015-07-13

The stability of colloidal suspensions is crucial in a wide variety of processes, including the fabrication of photonic materials and scaffolds for biological assemblies. The ionic strength of the electrolyte that suspends charged colloids is widely used to control the physical properties of colloidal suspensions. The extensively used two-body Derjaguin-Landau-Verwey-Overbeek (DLVO) approach allows for a quantitative analysis of the effective electrostatic forces between colloidal particles. DLVO relates the ionic double layers, which enclose the particles, to their effective electrostatic repulsion. Nevertheless, the double layer is distorted at high macroion volume fractions. Therefore, DLVO cannot describe the many-body effects that arisemore » in concentrated suspensions. In this paper, we show that this problem can be largely resolved by identifying effective point charges for the macroions using cell theory. This extrapolated point charge (EPC) method assigns effective point charges in a consistent way, taking into account the excluded volume of highly charged macroions at any concentration, and thereby naturally accounting for high volume fractions in both salt-free and added-salt conditions. We provide an analytical expression for the effective pair potential and validate the EPC method by comparing molecular dynamics simulations of macroions and monovalent microions that interact via Coulombic potentials to simulations of macroions interacting via the derived EPC effective potential. The simulations reproduce the macroion-macroion spatial correlation and the virial pressure obtained with the EPC model. Finally, our findings provide a route to relate the physical properties such as pressure in systems of screened Coulomb particles to experimental measurements.« less

The challenge of spin–orbit-tuned ground states in iridates: a key issues review

NASA Astrophysics Data System (ADS)

Cao, Gang; Schlottmann, Pedro

2018-04-01

Effects of spin–orbit interactions in condensed matter are an important and rapidly evolving topic. Strong competition between spin–orbit, on-site Coulomb and crystalline electric field interactions in iridates drives exotic quantum states that are unique to this group of materials. In particular, the ‘J eff  =  ½’ Mott state served as an early signal that the combined effect of strong spin–orbit and Coulomb interactions in iridates has unique, intriguing consequences. In this Key Issues Review, we survey some current experimental studies of iridates. In essence, these materials tend to defy conventional wisdom: absence of conventional correlations between magnetic and insulating states, avoidance of metallization at high pressures, ‘S-shaped’ I–V characteristic, emergence of an odd-parity hidden order, etc. It is particularly intriguing that there exist conspicuous discrepancies between current experimental results and theoretical proposals that address superconducting, topological and quantum spin liquid phases. This class of materials, in which the lattice degrees of freedom play a critical role seldom seen in other materials, evidently presents some profound intellectual challenges that call for more investigations both experimentally and theoretically. Physical properties unique to these materials may help unlock a world of possibilities for functional materials and devices. We emphasize that, given the rapidly developing nature of this field, this Key Issues Review is by no means an exhaustive report of the current state of experimental studies of iridates.

Self-energy effect and Coulomb potential modulation of the exciton in monolayer MoS2 on polar substrate

NASA Astrophysics Data System (ADS)

Wang, Zi-Wu; Xiao, Yao; Li, Run-Ze; Li, Wei-Ping; Li, Zhi-Qing

2017-11-01

We theoretically investigate the correction of exciton binding energy in monolayer MoS2 resulting from the exciton couples with surface optical (SO) phonons induced by polar substrate. The total correction of binding energy can be divided into the self-energy effect and modification of Coulomb potential using the unitary transformation method. We find that both the self-energy and Coulomb potential vary from tens of meV to several hundreds of meV depending on the cut-off wave vector of SO phonon modes, polarizability of substrate materials and internal distance between the monolayer MoS2 and polar substrate. An effective Coulomb potential is obtained by combining the modified term into the Coulomb potential. This potentially could be widely used in various two-dimensional materials. Our theoretical results not only propose the ways to externally control the exciton binding energy in experiment, but also enrich the understanding of the exciton properties in the dielectric environment.

Vibronic coupling effect on circular dichroism spectrum: Carotenoid-retinal interaction in xanthorhodopsin

NASA Astrophysics Data System (ADS)

Fujimoto, Kazuhiro J.; Balashov, Sergei P.

2017-03-01

The role of vibronic coupling of antenna carotenoid and retinal in xanthorhodopsin (XR) in its circular dichroism (CD) spectrum is examined computationally. A vibronic exciton model combined with a transition-density-fragment interaction (TDFI) method is developed, and applied to absorption and CD spectral calculations of XR. The TDFI method is based on the electronic Coulomb and exchange interactions between transition densities for individual chromophores [K. J. Fujimoto, J. Chem. Phys. 137, 034101 (2012)], which provides a quantitative description of electronic coupling energy. The TDFI calculation reveals a dominant contribution of the Coulomb interaction to the electronic coupling energy and a negligible contribution of the exchange interaction, indicating that the antenna function of carotenoid results from the Förster type of excitation-energy transfer, not from the Dexter one. The calculated absorption and CD spectra successfully reproduce the main features of the experimental results, which allow us to investigate the mechanism of biphasic CD spectrum observed in XR. The results indicate that vibronic coupling between carotenoid and retinal plays a significant role in the shape of the CD spectrum. Further analysis reveals that the negative value of electronic coupling directly contributes to the biphasic shape of CD spectrum. This study also reveals that the C6—C7 bond rotation of salinixanthin is not the main factor for the biphasic CD spectrum although it gives a non-negligible contribution to the spectral shift. The present method is useful for analyzing the molecular mechanisms underlying the chromophore-chromophore interactions in biological systems.

Controlling Laser Plasma Instabilities Using Temporal Bandwidths Under Shock Ignition Relevant Conditions

NASA Astrophysics Data System (ADS)

Tsung, Frank; Weaver, J.; Lehmberg, R.

2017-10-01

We are performing particle-in-cell simulations using the code OSIRIS to study the effects of laser plasma interactions in the presence of temporal bandwidth under plasma conditions relevant to experiments on the Nike laser with induced spatial incoherence (ISI). With ISI, the instantaneous laser intensity can be 3-4 times larger than the average intensity, leading to the excitation of additional TPD modes and producing electrons with larger angular spread. In our simulations, we observe that although ISI can increase the interaction regions for short bursts of time, time-averaged (over many pico-seconds) laser plasma interactions can be reduced by a factor of 2 in systems with sufficiently large bandwidths (where the inverse bandwidth is comparable with the linear growth time). We will quantify these effects and investigate higher dimensional effects such as laser speckles and the effects of Coulomb collisions. Work supported by NRL, NNSA, and NSF.

Fidelity study of superconductivity in extended Hubbard models

DOE PAGES

Plonka, N.; Jia, C. J.; Wang, Y.; ...

2015-07-08

The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. Finally, we find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they aremore » attractive or repulsive, seemingly due to competing charge fluctuations.« less

Theory of High-T{sub c} Superconducting Cuprates Based on Experimental Evidence

DOE R&D Accomplishments Database

Abrikosov, A. A.

1999-12-10

A model of superconductivity in layered high-temperature superconducting cuprates is proposed, based on the extended saddle point singularities in the electron spectrum, weak screening of the Coulomb interaction and phonon-mediated interaction between electrons plus a small short-range repulsion of Hund's, or spin-fluctuation, origin. This permits to explain the large values of T{sub c}, features of the isotope effect on oxygen and copper, the existence of two types of the order parameter, the peak in the inelastic neutron scattering, the positive curvature of the upper critical field, as function of temperature etc.

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Magnetic-field-modulated resonant tunneling in ferromagnetic-insulator-nonmagnetic junctions.

PubMed

Song, Yang; Dery, Hanan

2014-07-25

We present a theory for resonance-tunneling magnetoresistance (MR) in ferromagnetic-insulator-nonmagnetic junctions. The theory sheds light on many of the recent electrical spin injection experiments, suggesting that this MR effect rather than spin accumulation in the nonmagnetic channel corresponds to the electrically detected signal. We quantify the dependence of the tunnel current on the magnetic field by quantum rate equations derived from the Anderson impurity model, with the important addition of impurity spin interactions. Considering the on-site Coulomb correlation, the MR effect is caused by competition between the field, spin interactions, and coupling to the magnetic lead. By extending the theory, we present a basis for operation of novel nanometer-size memories.

Investigation of electric charge on inertial particle dynamics in turbulence

NASA Astrophysics Data System (ADS)

Lu, Jiang; Shaw, Raymond

2014-11-01

The behavior of electrically charged, inertial particles in homogeneous, isotropic turbulence is investigated. Both like-charged and oppositely-charged particle interactions are considered. Direct numerical simulations (DNS) of turbulence in a periodic box using the pseudospectral numerical method are performed, with Lagrangian tracking of the particles. We study effects of mutual electrostatic repulsion and attraction on the particle dynamics, as quantified by the radial distribution function (RDF) and the radial relative velocity. For the like-charged particle case, the Coulomb force leads to a short range repulsion behavior and an RDF reminiscent of that for a dilute gas. For the oppositely-charged particle case, the Coulomb force increases the RDF beyond that already occurring for neutral inertial particles. For both cases, the relative velocities are calculated as a function of particle separation distance and show distinct deviations from the expected scaling within the dissipation range. This research was supported by NASA Grant NNX113AF90G.

Phase diagram and re-entrant fermionic entanglement in a hybrid Ising-Hubbard ladder

NASA Astrophysics Data System (ADS)

Sousa, H. S.; Pereira, M. S. S.; de Oliveira, I. N.; Strečka, J.; Lyra, M. L.

2018-05-01

The degree of fermionic entanglement is examined in an exactly solvable Ising-Hubbard ladder, which involves interacting electrons on the ladder's rungs described by Hubbard dimers at half-filling on each rung, accounting for intrarung hopping and Coulomb terms. The coupling between neighboring Hubbard dimers is assumed to have an Ising-like nature. The ground-state phase diagram consists of four distinct regions corresponding to the saturated paramagnetic, the classical antiferromagnetic, the quantum antiferromagnetic, and the mixed classical-quantum phase. We have exactly computed the fermionic concurrence, which measures the degree of quantum entanglement between the pair of electrons on the ladder rungs. The effects of the hopping amplitude, the Coulomb term, temperature, and magnetic fields on the fermionic entanglement are explored in detail. It is shown that the fermionic concurrence displays a re-entrant behavior when quantum entanglement is being generated at moderate temperatures above the classical saturated paramagnetic ground state.

Coulomb crystals in neutron star crust

NASA Astrophysics Data System (ADS)

Baiko, D. A.

2014-03-01

It is well known that neutron star crust in a wide range of mass densities and temperatures is in a crystal state. At a given density, the crystal is made of fully ionized atomic nuclei of a single species immersed in a nearly incompressible (i.e., constant and uniform) charge compensating background of electrons. This model is known as the Coulomb crystal model. In this talk we analyze thermodynamic and elastic properties of the Coulomb crystals and discuss various deviations from the ideal model. In particular, we study the Coulomb crystal behavior in the presence of a strong magnetic field, consider the effect of the electron gas polarizability, outline the main properties of binary Coulomb crystals, and touch the subject of quasi-free neutrons permeating the Coulomb crystal of ions in deeper layers of neutron star crust.

Basis convergence of range-separated density-functional theory.

PubMed

Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

Quasi-particle spectrum in trilayer graphene: Role of onsite coulomb interaction and interlayer coupling

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.

Study of the effect of static/dynamic Coulomb friction variation at the tape-head interface of a spacecraft tape recorder by non-linear time response simulation

NASA Technical Reports Server (NTRS)

Mukhopadhyay, A. K.

1978-01-01

A description is presented of six simulation cases investigating the effect of the variation of static-dynamic Coulomb friction on servo system stability/performance. The upper and lower levels of dynamic Coulomb friction which allowed operation within requirements were determined roughly to be three times and 50% respectively of nominal values considered in a table. A useful application for the nonlinear time response simulation is the sensitivity analysis of final hardware design with respect to such system parameters as cannot be varied realistically or easily in the actual hardware. Parameters of the static/dynamic Coulomb friction fall in this category.

Human Robotic Swarm Interaction Using an Artificial Physics Approach

DTIC Science & Technology

2014-12-01

calculates virtual forces that are summed and translated into velocity commands. The virtual forces are modeled after real physical forces such as...results from the physical experiments show that an artificial physics-based framework is an effective way to allow multiple agents to follow a human... modeled after real physical forces such as gravitational and Coulomb, forces but are not restricted to them, for example, the force magnitude may not be

Double Quantum Dots in Carbon Nanotubes

DTIC Science & Technology

2010-06-02

occupation of one dot is favored by increasing the detuning between the dots, the Coulomb interaction causes strong correlation effects realized by...al- low the measurement and manipulation of the spin de - gree of freedom of the confined electrons1. Such con- trol is at the heart of semiconductor...of an additional val- ley degree of freedom, the two-electron eigenstates can be separated in an orbital part and a spin-valley part that are, to a

Charge ordering in two-dimensional ionic liquids

NASA Astrophysics Data System (ADS)

Perera, Aurélien; Urbic, Tomaz

2018-04-01

The structural properties of model two-dimensional (2D) ionic liquids are examined, with a particular focus on the charge ordering process, with the use of computer simulation and integral equation theories. The influence of the logarithmic form of the Coulomb interaction, versus that of a 3D screened interaction form, is analysed. Charge order is found to hold and to be analogous for both interaction models, despite their very different form. The influence of charge ordering in the low density regime is discussed in relation to well known properties of 2D Coulomb fluids, such as the Kosterlitz-Thouless transition and criticality. The present study suggests the existence of a stable thermodynamic labile cluster phase, implying the existence of a liquid-liquid "transition" above the liquid-gas binodal. The liquid-gas and Kosterlitz-Thouless transitions would then take place inside the predicted cluster phase.

Structural distortions in monolayers of binary semiconductors

NASA Astrophysics Data System (ADS)

Kumari, Poonam; Debnath, Saikat; Mahadevan, Priya

2018-01-01

We examine the structural properties of free-standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A nonpolar buckled structure was found to be favored over a polar buckled structure. While an obvious reason for this may be traced to the contribution from dipole-dipole interactions present in the polar structure which would destabilize it with respect to the nonpolar structure, Coulomb interactions between electrons on the cations and anions are found to be the reason for the nonpolar structure to be favoured. A route to tune the Coulomb interaction between the electrons on the cations and anions is through biaxial tensile strain. This allows for a planar graphitic phase in CdS to be stabilized at just 2% tensile strain. Strain also shifts the valence band maximum from the Γ point to the K point, opening up opportunities for exploring spin-valley physics in these materials.

Spectral properties of excitons in the bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-01-01

In this paper, we consider the spectral properties of the bilayer graphene with the local excitonic pairing interaction between the electrons and holes. We consider the generalized Hubbard model, which includes both intralayer and interlayer Coulomb interaction parameters. The solution of the excitonic gap parameter is used to calculate the electronic band structure, single-particle spectral functions, the hybridization gap, and the excitonic coherence length in the bilayer graphene. We show that the local interlayer Coulomb interaction is responsible for the semimetal-semiconductor transition in the double layer system, and we calculate the hybridization gap in the band structure above the critical interaction value. The formation of the excitonic band gap is reported as the threshold process and the momentum distribution functions have been calculated numerically. We show that in the weak coupling limit the system is governed by the Bardeen-Cooper-Schrieffer (BCS)-like pairing state. Contrary, in the strong coupling limit the excitonic condensate states appear in the semiconducting phase, by forming the Dirac's pockets in the reciprocal space.

Extension of Hopfield’s Electron Transfer Model To Accommodate Site–Site Correlation

DOE PAGES

Newton, Marshall D.

2015-10-26

Extension of the Förster analogue for the ET rate constant (based on virtual intermediate electron detachment or attachment states) with inclusion of site–site correlation due to coulomb terms associated with solvent reorganization energy and the driving force, has been developed and illustrated for a simple three-state, two-mode model. Furthermore, the model is applicable to charge separation (CS), recombination (CR), and shift (CSh) ET processes, with or without an intervening bridge. The model provides a unified perspective on the role of virtual intermediate states in accounting for the thermal Franck–Condon weighted density of states (FCWD), the gaps controlling superexchange coupling, andmore » mean absolute redox potentials, with full accommodation of site–site coulomb interactions. We analyzed two types of correlation: aside from the site–site correlation due to coulomb interactions, we have emphasized the intrinsic “nonorthogonality” which generally pertains to reaction coordinates (RCs) for different ET processes involving multiple electronic states, as may be expressed by suitably defined direction cosines (cos(θ)). A pair of RCs may be nonorthogonal even when the site–site coulomb correlations are absent. While different RCs are linearly independent in the mathematical sense for all θ ≠ 0°, they are independent in the sense of being “uncorrelated” only in the limit of orthogonality (θ = 90°). There is application to more than two coordinates is straightforward and may include both discrete and continuum contributions.« less

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

NASA Astrophysics Data System (ADS)

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.; Petrie, C.; Carlson, J.; Schmidt, K. E.; Schwenk, A.

2018-04-01

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this work, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei with 3 ≤A ≤16 . Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. The outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to 16O, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.

Intra- and inter-shell Kondo effects in carbon nanotube quantum dots

NASA Astrophysics Data System (ADS)

Krychowski, Damian; Lipiński, Stanisław

2018-01-01

The linear response transport properties of carbon nanotube quantum dot in the strongly correlated regime are discussed. The finite-U mean field slave boson approach is used to study many-body effects. Magnetic field can rebuilt Kondo correlations, which are destroyed by the effect of spin-orbit interaction or valley mixing. Apart from the field induced revivals of SU(2) Kondo effects of different types: spin, valley or spin-valley, also more exotic phenomena appear, such as SU(3) Kondo effect. Threefold degeneracy occurs due to the effective intervalley exchange induced by short-range part of Coulomb interaction or due to the intershell mixing. In narrow gap nanotubes the full spin-orbital degeneracy might be recovered in the absence of magnetic field opening the condition for a formation of SU(4) Kondo resonance.

Semiclassical theory of the tunneling anomaly in partially spin-polarized compressible quantum Hall states

NASA Astrophysics Data System (ADS)

Chowdhury, Debanjan; Skinner, Brian; Lee, Patrick A.

2018-05-01

Electron tunneling into a system with strong interactions is known to exhibit an anomaly, in which the tunneling conductance vanishes continuously at low energy due to many-body interactions. Recent measurements have probed this anomaly in a quantum Hall bilayer of the half-filled Landau level, and shown that the anomaly apparently gets stronger as the half-filled Landau level is increasingly spin polarized. Motivated by this result, we construct a semiclassical hydrodynamic theory of the tunneling anomaly in terms of the charge-spreading action associated with tunneling between two copies of the Halperin-Lee-Read state with partial spin polarization. This theory is complementary to our recent work (D. Chowdhury, B. Skinner, and P. A. Lee, arXiv:1709.06091) where the electron spectral function was computed directly using an instanton-based approach. Our results show that the experimental observation cannot be understood within conventional theories of the tunneling anomaly, in which the spreading of the injected charge is driven by the mean-field Coulomb energy. However, we identify a qualitatively new regime, in which the mean-field Coulomb energy is effectively quenched and the tunneling anomaly is dominated by the finite compressibility of the composite Fermion liquid.

Effective Hamiltonian approach to bright and dark excitons in single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Choi, Sangkook; Deslippe, Jack; Louie, Steven G.

2009-03-01

Recently, excitons in single-walled carbon nanotubes (SWCNTs) have generated great research interest due to the large binding energies and unique screening properties associated with one-dimensional (1D) materials. Considerable progress in their theoretical understanding has been achieved by studies employing the ab initio GW-Bethe-Salpeter equation methodology. For example, the presence of bright and dark excitons with binding energies of a large fraction of an eV has been predicted and subsequently verified by experiment. Some of these results have also been quantitatively reproduced by recent model calculations using a spatially dependent screened Coulomb interaction between the excited electron and hole, an approach that would be useful for studying large diameter and chiral nanotubes with many atoms per unit cell. However, this previous model neglects the degeneracy of the band states and hence the dark excitons. We present an extension of this exciton model for the SWCNT, incorporating the screened Coulomb interaction as well as state degeneracy, to understand and compute the characteristics of the bright and dark excitons, such as the bright and dark level splittings. Supported by NSF #DMR07-05941, DOE #De-AC02-05CH11231 and computational resources from Teragrid and NERSC.

A simple model of solvent-induced symmetry-breaking charge transfer in excited quadrupolar molecules

NASA Astrophysics Data System (ADS)

Ivanov, Anatoly I.; Dereka, Bogdan; Vauthey, Eric

2017-04-01

A simple model has been developed to describe the symmetry-breaking of the electronic distribution of AL-D-AR type molecules in the excited state, where D is an electron donor and AL and AR are identical acceptors. The origin of this process is usually associated with the interaction between the molecule and the solvent polarization that stabilizes an asymmetric and dipolar state, with a larger charge transfer on one side than on the other. An additional symmetry-breaking mechanism involving the direct Coulomb interaction of the charges on the acceptors is proposed. At the same time, the electronic coupling between the two degenerate states, which correspond to the transferred charge being localised either on AL or AR, favours a quadrupolar excited state with equal amount of charge-transfer on both sides. Because of these counteracting effects, symmetry breaking is only feasible when the electronic coupling remains below a threshold value, which depends on the solvation energy and the Coulomb repulsion energy between the charges located on AL and AR. This model allows reproducing the solvent polarity dependence of the symmetry-breaking reported recently using time-resolved infrared spectroscopy.

The effective fine-structure constant of freestanding graphene measured in graphite.

PubMed

Reed, James P; Uchoa, Bruno; Joe, Young Il; Gan, Yu; Casa, Diego; Fradkin, Eduardo; Abbamonte, Peter

2010-11-05

Electrons in graphene behave like Dirac fermions, permitting phenomena from high-energy physics to be studied in a solid-state setting. A key question is whether or not these fermions are critically influenced by Coulomb correlations. We performed inelastic x-ray scattering experiments on crystals of graphite and applied reconstruction algorithms to image the dynamical screening of charge in a freestanding graphene sheet. We found that the polarizability of the Dirac fermions is amplified by excitonic effects, improving screening of interactions between quasiparticles. The strength of interactions is characterized by a scale-dependent, effective fine-structure constant, α(g)* (k,ω), the value of which approaches 0.14 ± 0.092 ~ 1/7 at low energy and large distances. This value is substantially smaller than the nominal α(g) = 2.2, suggesting that, on the whole, graphene is more weakly interacting than previously believed.

Interaction phenomena at topological transitions in strongly anisotropic Dirac materials

NASA Astrophysics Data System (ADS)

Kotov, Valeri

2014-03-01

It is known that a topological (Lifshitz) transition can take place in graphene, strained uniaxially in the zig-zag direction. At such a transition the spectrum becomes semi-Dirac like, with linear, ultrarelativistic dispersion in one direction, and quadratic momentum dependence in the other. This type of transition also occurs in other materials as well as in artificial graphene lattices. We have found that long-range Coulomb interactions can lead to profound effects at such topological transitions. In particular, an unusually strong log squared renormalization behavior was found in the effective fermion mass, ultimately leading to very strong changes in the shape of the critical fermion spectrum. We also study the stability of such exotic spectrum towards spontaneous gap formation (excitonic transition). Ultimately we find that the interaction effects are much stronger at topological transitions in strongly anisotropic Dirac materials, compared to ``conventional'' isotropic graphene. Supported in part by DOE grant DE-FG02-08ER46512.

An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

NASA Astrophysics Data System (ADS)

Kilcrease, D. P.; Colgan, J.; Hakel, P.; Fontes, C. J.; Sherrill, M. E.

2015-09-01

We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. The corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.

Renormalization of effective interactions in a negative charge transfer insulator

NASA Astrophysics Data System (ADS)

Seth, Priyanka; Peil, Oleg E.; Pourovskii, Leonid; Betzinger, Markus; Friedrich, Christoph; Parcollet, Olivier; Biermann, Silke; Aryasetiawan, Ferdi; Georges, Antoine

2017-11-01

We compute from first principles the effective interaction parameters appropriate for a low-energy description of the rare-earth nickelate LuNiO3 involving the partially occupied eg states only. The calculation uses the constrained random-phase approximation and reveals that the effective on-site Coulomb repulsion is strongly reduced by screening effects involving the oxygen-p and nickel-t2 g states. The long-range component of the effective low-energy interaction is also found to be sizable. As a result, the effective on-site interaction between parallel-spin electrons is reduced down to a small negative value. This validates effective low-energy theories of these materials that were proposed earlier. Electronic structure methods combined with dynamical mean-field theory are used to construct and solve an appropriate low-energy model and explore its phase diagram as a function of the on-site repulsion and Hund's coupling. For the calculated values of these effective interactions, we find that in agreement with experiments, LuNiO3 is a metal without disproportionation of the eg occupancy when considered in its orthorhombic structure, while the monoclinic phase is a disproportionated insulator.

Zero-range effective field theory for resonant wino dark matter. Part III. Annihilation effects

NASA Astrophysics Data System (ADS)

Braaten, Eric; Johnson, Evan; Zhang, Hong

2018-05-01

Near a critical value of the wino mass where there is a zero-energy S-wave resonance at the neutral-wino-pair threshold, low-energy winos can be described by a zero-range effective field theory (ZREFT) in which the winos interact nonperturbatively through a contact interaction and through Coulomb interactions. The effects of wino-pair annihilation into electroweak gauge bosons are taken into account through the analytic continuation of the real parameters for the contact interaction to complex values. The parameters of ZREFT can be determined by matching wino-wino scattering amplitudes calculated by solving the Schrödinger equation for winos interacting through a real potential due to the exchange of electroweak gauge bosons and an imaginary potential due to wino-pair annihilation into electroweak gauge bosons. ZREFT at leading order gives an accurate analytic description of low-energy wino-wino scattering, inclusive wino-pair annihilation, and a wino-pair bound state. ZREFT can also be applied to partial annihilation rates, such as the Sommerfeld enhancement of the annihilation rate of wino pairs into monochromatic photons.

Scaling of the low-energy structure in above-threshold ionization in the tunneling regime: theory and experiment.

PubMed

Guo, L; Han, S S; Liu, X; Cheng, Y; Xu, Z Z; Fan, J; Chen, J; Chen, S G; Becker, W; Blaga, C I; DiChiara, A D; Sistrunk, E; Agostini, P; DiMauro, L F

2013-01-04

A calculation of the second-order (rescattering) term in the S-matrix expansion of above-threshold ionization is presented for the case when the binding potential is the unscreened Coulomb potential. Technical problems related to the divergence of the Coulomb scattering amplitude are avoided in the theory by considering the depletion of the atomic ground state due to the applied laser field, which is well defined and does not require the introduction of a screening constant. We focus on the low-energy structure, which was observed in recent experiments with a midinfrared wavelength laser field. Both the spectra and, in particular, the observed scaling versus the Keldysh parameter and the ponderomotive energy are reproduced. The theory provides evidence that the origin of the structure lies in the long-range Coulomb interaction.

Asymptotic Normalization Coefficients in a Potential Model Involving Forbidden States

NASA Astrophysics Data System (ADS)

Blokhintsev, L. D.; Savin, D. A.

2018-03-01

It is shown that values obtained for asymptotic normalization coefficients by means of a potential fitted to experimental data on elastic scattering depend substantially on the presence and the number n of possible forbidden states in the fitted potential. The present analysis was performed within exactly solvable potential models for various nuclear systems and various potentials without and with allowance for Coulomb interaction. Various methods for changing the number n that are based on the use of various versions of the change in the parameters of the potential model were studied. A compact analytic expression for the asymptotic normalization coefficients was derived for the case of the Hulthén potential. Specifically, the d + α and α + 12C systems, which are of importance for astrophysics, were examined. It was concluded that an incorrect choice of n could lead to a substantial errors in determining the asymptotic normalization coefficients. From the results of our calculations, it also follows that, for systems with a low binding energy and, as a consequence, with a large value of the Coulomb parameter, the inclusion of the Coulomb interaction may radically change the asymptotic normalization coefficients, increasing them sharply.

Intrinsic anharmonic effects on the phonon frequencies and effective spin-spin interactions in a quantum simulator made from trapped ions in a linear Paul trap

NASA Astrophysics Data System (ADS)

McAneny, M.; Freericks, J. K.

2014-11-01

The Coulomb repulsion between ions in a linear Paul trap gives rise to anharmonic terms in the potential energy when expanded about the equilibrium positions. We examine the effect of these anharmonic terms on the accuracy of a quantum simulator made from trapped ions. To be concrete, we consider a linear chain of Yb171+ ions stabilized close to the zigzag transition. We find that for typical experimental temperatures, frequencies change by no more than a factor of 0.01 % due to the anharmonic couplings. Furthermore, shifts in the effective spin-spin interactions (driven by a spin-dependent optical dipole force) are also, in general, less than 0.01 % for detunings to the blue of the transverse center-of-mass frequency. However, detuning the spin interactions near other frequencies can lead to non-negligible anharmonic contributions to the effective spin-spin interactions. We also examine an odd behavior exhibited by the harmonic spin-spin interactions for a range of intermediate detunings, where nearest-neighbor spins with a larger spatial separation on the ion chain interact more strongly than nearest neighbors with a smaller spatial separation.

Direct observation of single-charge-detection capability of nanowire field-effect transistors.

PubMed

Salfi, J; Savelyev, I G; Blumin, M; Nair, S V; Ruda, H E

2010-10-01

A single localized charge can quench the luminescence of a semiconductor nanowire, but relatively little is known about the effect of single charges on the conductance of the nanowire. In one-dimensional nanostructures embedded in a material with a low dielectric permittivity, the Coulomb interaction and excitonic binding energy are much larger than the corresponding values when embedded in a material with the same dielectric permittivity. The stronger Coulomb interaction is also predicted to limit the carrier mobility in nanowires. Here, we experimentally isolate and study the effect of individual localized electrons on carrier transport in InAs nanowire field-effect transistors, and extract the equivalent charge sensitivity. In the low carrier density regime, the electrostatic potential produced by one electron can create an insulating weak link in an otherwise conducting nanowire field-effect transistor, modulating its conductance by as much as 4,200% at 31 K. The equivalent charge sensitivity, 4 × 10(-5) e Hz(-1/2) at 25 K and 6 × 10(-5) e Hz(-1/2) at 198 K, is orders of magnitude better than conventional field-effect transistors and nanoelectromechanical systems, and is just a factor of 20-30 away from the record sensitivity for state-of-the-art single-electron transistors operating below 4 K (ref. 8). This work demonstrates the feasibility of nanowire-based single-electron memories and illustrates a physical process of potential relevance for high performance chemical sensors. The charge-state-detection capability we demonstrate also makes the nanowire field-effect transistor a promising host system for impurities (which may be introduced intentionally or unintentionally) with potentially long spin lifetimes, because such transistors offer more sensitive spin-to-charge conversion readout than schemes based on conventional field-effect transistors.

Dissipative exciton transfer in donor-bridge-acceptor systems: numerical renormalization group calculation of equilibrium properties.

PubMed

Tornow, Sabine; Tong, Ning-Hua; Bulla, Ralf

2006-07-05

We present a detailed model study of exciton transfer processes in donor-bridge-acceptor (DBA) systems. Using a model which includes the intermolecular Coulomb interaction and the coupling to a dissipative environment we calculate the phase diagram, the absorption spectrum as well as dynamic equilibrium properties with the numerical renormalization group. This method is non-perturbative and therefore allows one to cover the full parameter space, especially the case when the intermolecular Coulomb interaction is of the same order as the coupling to the environment and perturbation theory cannot be applied. For DBA systems with up to six sites we found a transition to the localized phase (self-trapping) depending on the coupling to the dissipative environment. We discuss various criteria which favour delocalized exciton transfer.

Coulomb-interaction induced coupling of Landau levels in intrinsic and modulation-doped quantum wells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paul, J.; Stevens, C. E.; Zhang, H.

We have performed two-dimensional Fourier transform spectroscopy on intrinsic and modulation doped quantum wells in external magnetic fields up to 10 T. In the undoped sample, the strong Coulomb interactions and the increasing separations of the electron and hole charge distributions with increasing magnetic fields lead to a nontrivial in-plane dispersion of the magneto-excitons. Thus, the discrete and degenerate Landau levels are coupled to a continuum. The signature of this continuum is the emergence of elongated spectral line shapes at the Landau level energies, which are exposed by the multidimensional nature of our technique. Surprisingly, the elongation of the peaksmore » is completely absent in the lowest Landau level spectra obtained from the modulation doped quantum well at high fields.« less

Coulomb-interaction induced coupling of Landau levels in intrinsic and modulation-doped quantum wells

DOE PAGES

Paul, J.; Stevens, C. E.; Zhang, H.; ...

2017-06-28

We have performed two-dimensional Fourier transform spectroscopy on intrinsic and modulation doped quantum wells in external magnetic fields up to 10 T. In the undoped sample, the strong Coulomb interactions and the increasing separations of the electron and hole charge distributions with increasing magnetic fields lead to a nontrivial in-plane dispersion of the magneto-excitons. Thus, the discrete and degenerate Landau levels are coupled to a continuum. The signature of this continuum is the emergence of elongated spectral line shapes at the Landau level energies, which are exposed by the multidimensional nature of our technique. Surprisingly, the elongation of the peaksmore » is completely absent in the lowest Landau level spectra obtained from the modulation doped quantum well at high fields.« less

Shot Noise in a Quantum Dot with the Finite Coulomb Interaction

NASA Astrophysics Data System (ADS)

Cao, Xian-Sheng

2011-09-01

We study the shot noise in a quantum dot which coupled to metallic leads using the equation of motion of nonequilibrium Green's function technique at Kondo temperature T K . We compute the out of equilibrium density of states, the current and the shot noise. We find that the value of shot noise in the finite coulomb interaction case is smaller than one at Kondo temperature T K when variation of ɛ d values of the QD energy in the absence of the external magnetic field. We also find that the values of S(0)/ V are almost insusceptible to U when eV d under 2, while the values of S(0)/ V appear slightly branch off when the value of eV d approach to 6.

Coulomb-interaction induced coupling of Landau levels in intrinsic and modulation-doped quantum wells

NASA Astrophysics Data System (ADS)

Paul, J.; Stevens, C. E.; Zhang, H.; Dey, P.; McGinty, D.; McGill, S. A.; Smith, R. P.; Reno, J. L.; Turkowski, V.; Perakis, I. E.; Hilton, D. J.; Karaiskaj, D.

2017-06-01

We have performed two-dimensional Fourier transform spectroscopy on intrinsic and modulation doped quantum wells in external magnetic fields up to 10 T. In the undoped sample, the strong Coulomb interactions and the increasing separations of the electron and hole charge distributions with increasing magnetic fields lead to a nontrivial in-plane dispersion of the magneto-excitons. Thus, the discrete and degenerate Landau levels are coupled to a continuum. The signature of this continuum is the emergence of elongated spectral line shapes at the Landau level energies, which are exposed by the multidimensional nature of our technique. Surprisingly, the elongation of the peaks is completely absent in the lowest Landau level spectra obtained from the modulation doped quantum well at high fields.

Borromean Windows for Three-Particle Systems under Screened Coulomb Interactions

NASA Astrophysics Data System (ADS)

Jiang, Zi-Shi; Song, Xiu-Dan; Zhou, Lin; Kar, Sabyasachi

2017-05-01

We have carried out calculations to search Borromean windows (BWs) for 11 different three-body systems interacting with screened Coulomb (Yukawa-type) potentials using Hylleraas-type wave functions within the framework of a variational approach. The critical values of the screening parameters for the ground states of the systems under consideration are reported for which the three-body systems are stable, while all the possible fragments are unbound; that is, it shows windows for Borromean binding. Supported by the National Natural Science Foundation of China under Grant No. 11304086, the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province of China under Grant No. UNPYSCT-2015019, and the Natural Science Foundation for Distinguished Young Scholars in Heilongjiang University under Grant No. JCL201503

Exotic s-wave superconductivity in alkali-doped fullerides.

PubMed

Nomura, Yusuke; Sakai, Shiro; Capone, Massimo; Arita, Ryotaro

2016-04-20

Alkali-doped fullerides (A3C60 with A = K, Rb, Cs) show a surprising phase diagram, in which a high transition-temperature (Tc) s-wave superconducting state emerges next to a Mott insulating phase as a function of the lattice spacing. This is in contrast with the common belief that Mott physics and phonon-driven s-wave superconductivity are incompatible, raising a fundamental question on the mechanism of the high-Tc superconductivity. This article reviews recent ab initio calculations, which have succeeded in reproducing comprehensively the experimental phase diagram with high accuracy and elucidated an unusual cooperation between the electron-phonon coupling and the electron-electron interactions leading to Mott localization to realize an unconventional s-wave superconductivity in the alkali-doped fullerides. A driving force behind the exotic physics is unusual intramolecular interactions, characterized by the coexistence of a strongly repulsive Coulomb interaction and a small effectively negative exchange interaction. This is realized by a subtle energy balance between the coupling with the Jahn-Teller phonons and Hund's coupling within the C60 molecule. The unusual form of the interaction leads to a formation of pairs of up- and down-spin electrons on the molecules, which enables the s-wave pairing. The emergent superconductivity crucially relies on the presence of the Jahn-Teller phonons, but surprisingly benefits from the strong correlations because the correlations suppress the kinetic energy of the electrons and help the formation of the electron pairs, in agreement with previous model calculations. This confirms that the alkali-doped fullerides are a new type of unconventional superconductors, where the unusual synergy between the phonons and Coulomb interactions drives the high-Tc superconductivity.

Doping-dependent correlation effects in (Sr1-xLax) 3Ir2O7

NASA Astrophysics Data System (ADS)

Affeldt, Gregory; Hogan, Tom; Denlinger, Jonathan D.; Vishwanath, Ashvin; Wilson, Stephen D.; Lanzara, Alessandra

2018-03-01

We have measured the signatures of electronic energy scales and their doping evolution in the band structure of (Sr1-xLax) 3Ir2O7 using angle-resolved photoemission spectroscopy. While band splittings and positions corresponding to the bilayer splitting and spin-orbit coupling undergo only small changes, the Mott gap and effective mass of both the lower Hubbard band and conduction band exhibit strong variations with doping. These changes correspond to similar observations in the cuprate superconductors, and are likely connected to the changing effective Coulomb interaction upon addition of itinerant carriers.

Tunable nonequilibrium dynamics of field quenches in spin ice

PubMed Central

Mostame, Sarah; Castelnovo, Claudio; Moessner, Roderich; Sondhi, Shivaji L.

2014-01-01

We present nonequilibrium physics in spin ice as a unique setting that combines kinematic constraints, emergent topological defects, and magnetic long-range Coulomb interactions. In spin ice, magnetic frustration leads to highly degenerate yet locally constrained ground states. Together, they form a highly unusual magnetic state—a “Coulomb phase”—whose excitations are point-like defects—magnetic monopoles—in the absence of which effectively no dynamics is possible. Hence, when they are sparse at low temperature, dynamics becomes very sluggish. When quenching the system from a monopole-rich to a monopole-poor state, a wealth of dynamical phenomena occur, the exposition of which is the subject of this article. Most notably, we find reaction diffusion behavior, slow dynamics owing to kinematic constraints, as well as a regime corresponding to the deposition of interacting dimers on a honeycomb lattice. We also identify potential avenues for detecting the magnetic monopoles in a regime of slow-moving monopoles. The interest in this model system is further enhanced by its large degree of tunability and the ease of probing it in experiment: With varying magnetic fields at different temperatures, geometric properties—including even the effective dimensionality of the system—can be varied. By monitoring magnetization, spin correlations or zero-field NMR, the dynamical properties of the system can be extracted in considerable detail. This establishes spin ice as a laboratory of choice for the study of tunable, slow dynamics. PMID:24379372

Electronic spectrum of trilayer graphene

NASA Astrophysics Data System (ADS)

Kumar, S.; Ajay

2014-08-01

Present work deals with the analysis of the single particle electronic spectral function in trilayer (ABC-, ABA- and AAA-stacked) graphene. Tight binding Hamiltonian containing intralayer nearest-neighbor and next-nearest neighbor hopping along-with the interlayer coupling parameter within two triangular sub-lattice approach for trilayer graphene has been employed. The expression of single particle spectral functions A(kw) is obtained within mean-field Green's function equations of motion approach. Spectral function at Γ, M and K points of the Brillouin zone has been numerically computed. It is pointed out that the nature of electronic states at different points of Brillouin zone is found to be influenced by stacking order and Coulomb interactions. At Γ and M points, a trilayer splitting is predicted while at K point a bilayer splitting effect is observed due to crossing of two bands (at K point). Interlayer coupling ( t_{ bot } ) is found to be responsible for the splitting of quasi-particle peaks at each point of Brillouin zone. The influence of t_{ bot } in trilayer graphene is prominent for AAA-stacking compared to ABC- and ABA-stacking. On the other hand, onsite Coulomb interaction reduces the trilayer splitting effect into bilayer splitting at Γ and M points of Brillouin zone and bilayer splitting into single peak spectral function at K point with a shifting of the peak away from Fermi level.

Time-evolution of photon heat current through series coupled two mesoscopic Josephson junction devices

NASA Astrophysics Data System (ADS)

Lu, Wen-Ting; Zhao, Hong-Kang; Wang, Jian

2018-03-01

Photon heat current tunneling through a series coupled two mesoscopic Josephson junction (MJJ) system biased by dc voltages has been investigated by employing the nonequilibrium Green’s function approach. The time-oscillating photon heat current is contributed by the superposition of different current branches associated with the frequencies of MJJs ω j (j = 1, 2). Nonlinear behaviors are exhibited to be induced by the self-inductance, Coulomb interaction, and interference effect relating to the coherent transport of Cooper pairs in the MJJs. Time-oscillating pumping photon heat current is generated in the absence of temperature difference, while it becomes zero after time-average. The combination of ω j and Coulomb interactions in the MJJs determines the concrete heat current configuration. As the external and intrinsic frequencies ω j and ω 0 of MJJs match some specific combinations, resonant photon heat current exhibits sinusoidal behaviors with large amplitudes. Symmetric and asymmetric evolutions versus time t with respect to ω 1 t and ω 2 t are controlled by the applied dc voltages of V 1 and V 2. The dc photon heat current formula is a special case of the general time-dependent heat current formula when the bias voltages are settled to zero. The Aharonov-Bohm effect has been investigated, and versatile oscillation structures of photon heat current can be achieved by tuning the magnetic fluxes threading through separating MJJs.

The 1999 Mw 7.1 Hector Mine, California, earthquake: A test of the stress shadow hypothesis?

USGS Publications Warehouse

Harris, R.A.; Simpson, R.W.

2002-01-01

We test the stress shadow hypothesis for large earthquake interactions by examining the relationship between two large earthquakes that occurred in the Mojave Desert of southern California, the 1992 Mw 7.3 Landers and 1999 Mw 7.1 Hector Mine earthquakes. We want to determine if the 1999 Hector Mine earthquake occurred at a location where the Coulomb stress was increased (earthquake advance, stress trigger) or decreased (earthquake delay, stress shadow) by the previous large earthquake. Using four models of the Landers rupture and a range of possible hypocentral planes for the Hector Mine earthquake, we discover that most scenarios yield a Landers-induced relaxation (stress shadow) on the Hector Mine hypocentral plane. Although this result would seem to weigh against the stress shadow hypothesis, the results become considerably more uncertain when the effects of a nearby Landers aftershock, the 1992 ML 5.4 Pisgah earthquake, are taken into account. We calculate the combined static Coulomb stress changes due to the Landers and Pisgah earthquakes to range from -0.3 to +0.3 MPa (- 3 to +3 bars) at the possible Hector Mine hypocenters, depending on choice of rupture model and hypocenter. These varied results imply that the Hector Mine earthquake does not provide a good test of the stress shadow hypothesis for large earthquake interactions. We use a simple approach, that of static dislocations in an elastic half-space, yet we still obtain a wide range of both negative and positive Coulomb stress changes. Our findings serve as a caution that more complex models purporting to explain the triggering or shadowing relationship between the 1992 Landers and 1999 Hector Mine earthquakes need to also consider the parametric and geometric uncertainties raised here.

Application of screened Coulomb potential in fitting DBV star PG 0112+104

NASA Astrophysics Data System (ADS)

Chen, Y. H.

2018-03-01

With 78.7 d of observations for PG 0112+104, a pulsating DB star, from Campaign 8 of Kepler 2 mission, Hermes et al. made a detailed mode identification. A reliable mode identification, with 5 l = 1 modes, 3 l = 2 modes, and 3 l = 1 or 2 modes, was identified. Grids of DBV star models are evolved by WDEC with element diffusion effect of pure Coulomb potential and screened Coulomb potential. Fitting the identified modes of PG 0112+104 by the calculated ones, we studied the difference of element diffusion effect between adopting pure Coulomb potential and screened Coulomb potential. Our aim is to reduce the fitting error by studying new input physics. The starting models including their chemical composition profile are from white dwarf models evolved by MESA. They were calculated following the stellar evolution from the main sequence to the start of the white dwarf cooling sequences. The optimal parameters are basically consistent with that of previous spectroscopic and asteroseismological studies. The pure and screened Coulomb potential lead to different composition profiles of the C/O-He interface area. High k modes are very sensitive to the area. However, most of the observed modes for PG 0112+104 are low k modes. The σRMS taking the screened Coulomb potential is reduced by 4 per cent compared with taking the pure Coulomb potential when fitting the identified low k modes of PG 0112+104. Fitting the Kepler 2 data with our models improved the σRMS of the fit by 27 per cent.

Basis convergence of range-separated density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franck, Odile, E-mail: odile.franck@etu.upmc.fr; Mussard, Bastien, E-mail: bastien.mussard@upmc.fr; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. Wemore » study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.« less

Hydrogen doping in HfO{sub 2} resistance change random access memory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duncan, D.; Magyari-Köpe, B.; Nishi, Y.

2016-01-25

The structures and energies of hydrogen-doped monoclinic hafnium dioxide were calculated using density-functional theory. The electronic interactions are described within the LDA + U formalism, where on-site Coulomb corrections are applied to the 5d orbital electrons of Hf atoms and 2p orbital electrons of the O atoms. The effects of charge state, defect-defect interactions, and hydrogenation are investigated and compared with experiment. It is found that hydrogenation of HfO{sub 2} resistance-change random access memory devices energetically stabilizes the formation of oxygen vacancies and conductive vacancy filaments through multiple mechanisms, leading to improved switching characteristic and device yield.

Numerically exact full counting statistics of the nonequilibrium Anderson impurity model

NASA Astrophysics Data System (ADS)

Ridley, Michael; Singh, Viveka N.; Gull, Emanuel; Cohen, Guy

2018-03-01

The time-dependent full counting statistics of charge transport through an interacting quantum junction is evaluated from its generating function, controllably computed with the inchworm Monte Carlo method. Exact noninteracting results are reproduced; then, we continue to explore the effect of electron-electron interactions on the time-dependent charge cumulants, first-passage time distributions, and n -electron transfer distributions. We observe a crossover in the noise from Coulomb blockade to Kondo-dominated physics as the temperature is decreased. In addition, we uncover long-tailed spin distributions in the Kondo regime and analyze queuing behavior caused by correlations between single-electron transfer events.

Construction of Matryoshka-type structures from supercharged protein nanocages.

PubMed

Beck, Tobias; Tetter, Stephan; Künzle, Matthias; Hilvert, Donald

2015-01-12

Designing nanoscaled hierarchical structures with increasing levels of complexity is challenging. Here we show that electrostatic interactions between two complementarily supercharged protein nanocages can be effectively utilized to create nested Matryoshka-type structures. Cage-within-cage complexes containing spatially ordered iron oxide nanoparticles spontaneously self-assemble upon mixing positively supercharged ferritin compartments with AaLS-13, a larger shell-forming protein with a negatively supercharged lumen. Exploiting engineered Coulombic interactions and protein dynamics in this way opens up new avenues for creating hierarchically organized supramolecular assemblies for application as delivery vehicles, reaction chambers, and artificial organelles. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerically exact full counting statistics of the nonequilibrium Anderson impurity model

DOE PAGES

Ridley, Michael; Singh, Viveka N.; Gull, Emanuel; ...

2018-03-06

The time-dependent full counting statistics of charge transport through an interacting quantum junction is evaluated from its generating function, controllably computed with the inchworm Monte Carlo method. Exact noninteracting results are reproduced; then, we continue to explore the effect of electron-electron interactions on the time-dependent charge cumulants, first-passage time distributions, and n-electron transfer distributions. We observe a crossover in the noise from Coulomb blockade to Kondo-dominated physics as the temperature is decreased. In addition, we uncover long-tailed spin distributions in the Kondo regime and analyze queuing behavior caused by correlations between single-electron transfer events

Numerically exact full counting statistics of the nonequilibrium Anderson impurity model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ridley, Michael; Singh, Viveka N.; Gull, Emanuel

The time-dependent full counting statistics of charge transport through an interacting quantum junction is evaluated from its generating function, controllably computed with the inchworm Monte Carlo method. Exact noninteracting results are reproduced; then, we continue to explore the effect of electron-electron interactions on the time-dependent charge cumulants, first-passage time distributions, and n-electron transfer distributions. We observe a crossover in the noise from Coulomb blockade to Kondo-dominated physics as the temperature is decreased. In addition, we uncover long-tailed spin distributions in the Kondo regime and analyze queuing behavior caused by correlations between single-electron transfer events

Backscattering measurement of 6He on 209Bi: Critical interaction distance

NASA Astrophysics Data System (ADS)

Guimarães, V.; Kolata, J. J.; Aguilera, E. F.; Howard, A.; Roberts, A.; Becchetti, F. D.; Torres-Isea, R. O.; Riggins, A.; Febrarro, M.; Scarduelli, V.; de Faria, P. N.; Monteiro, D. S.; Huiza, J. F. P.; Arazi, A.; Hinnefeld, J.; Moro, A. M.; Rossi, E. S.; Morcelle, V.; Barioni, A.

2016-06-01

An elastic backscattering experiment has been performed at energies below the Coulomb barrier to investigate static and dynamic effects in the interaction of 6He with 209Bi. The measured cross sections are presented in terms of the d σ /d σR u t h ratio, as a function of the distance of closest approach on a Rutherford trajectory. The data are compared with a three-body CDCC calculation and good agreement is observed. In addition, the critical distance of interaction was extracted. A larger value was obtained for the exotic 6He nucleus as compared with the weakly bound 6Li and 9Be nuclei and the tightly bound 4He12C, and 16O nuclei.

Charge separation at nanoscale interfaces: energy-level alignment including two-quasiparticle interactions.

PubMed

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.

Coulomb Blockade Plasmonic Switch.

PubMed

Xiang, Dao; Wu, Jian; Gordon, Reuven

2017-04-12

Tunnel resistance can be modulated with bias via the Coulomb blockade effect, which gives a highly nonlinear response current. Here we investigate the optical response of a metal-insulator-nanoparticle-insulator-metal structure and show switching of a plasmonic gap from insulator to conductor via Coulomb blockade. By introducing a sufficiently large charging energy in the tunnelling gap, the Coulomb blockade allows for a conductor (tunneling) to insulator (capacitor) transition. The tunnelling electrons can be delocalized over the nanocapacitor again when a high energy penalty is added with bias. We demonstrate that this has a huge impact on the plasmonic resonance of a 0.51 nm tunneling gap with ∼70% change in normalized optical loss. Because this structure has a tiny capacitance, there is potential to harness the effect for high-speed switching.

Coulomb scatter of diamagnetic dust particles in a cusp magnetic trap under microgravity conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myasnikov, M. I., E-mail: miasnikovmi@mail.ru; D’yachkov, L. G.; Petrov, O. F.

2017-02-15

The effect of a dc electric field on strongly nonideal Coulomb systems consisting of a large number (~10{sup 4}) of charged diamagnetic dust particles in a cusp magnetic trap are carried out aboard the Russian segment of the International Space Station (ISS) within the Coulomb Crystal experiment. Graphite particles of 100–400 μm in size are used in the experiments. Coulomb scatter of a dust cluster and the formation of threadlike chains of dust particles are observed experimentally. The processes observed are simulated by the molecular dynamics (MD) method.

Coulomb blockade in a single tunnel junction directly connected to a multiwalled carbon nanotube

NASA Astrophysics Data System (ADS)

Haruyama, Junji; Takesue, Izumi; Sato, Yuki

2000-10-01

We report on Coulomb blockade in a single tunnel junction directly connected to a multiwalled carbon nanotube (MWNT) by utilizing a nanoporous alumina film. The MWNT exhibits a weak localization effect with strong spin flip scattering. Experimental results and analysis suggest that a high-impedance external environment caused by the weak localization in the MWNT can yield Coulomb blockade, in accordance with phase correlation theory in a single junction system. It is also revealed that the Coulomb blockade is very sensitive to phase modulation in the MWNT, which also acts as a high-impedance transmission line.

Electron Pair Repulsion Responsible for the Peculiar Edge Effects and Surface Chemistry of Black Phosphorus.

PubMed

Kong, Xiang-Peng; Shen, Xiaomei; Jang, Joonkyung; Gao, Xingfa

2018-03-01

The electronic and optical properties of black phosphorus (black-P) are significantly modulated by fabricating the edges of this two-dimensional material. Electron lone pairs (ELPs) are ubiquitous in black-P, but their role in creating the edge effects of black-P is poorly understood. Using first-principle calculations, we report ELPs of black-P experience severe Coulomb repulsion and play a central role in creating the edge effects of black-P. We discover the outermost P atoms of the zigzag edges of black-PQDs are free of the Coulomb repulsion, but the P atoms of the armchair edges do experience the Coulomb repulsion. The Coulomb repulsion serves as a new chemical driving force to make electron donor-acceptor bonds with chemical groups bearing vacant orbitals. Our results provide insights into the mechanism responsible for the peculiar edge effects of black-P and highlight the opportunity to use the ELPs of black-P for their damage-free surface functionalization.

Quark matter at high density based on an extended confined isospin-density-dependent mass model

NASA Astrophysics Data System (ADS)

Qauli, A. I.; Sulaksono, A.

2016-01-01

We investigate the effect of the inclusion of relativistic Coulomb terms in a confined-isospin-density-dependent-mass (CIDDM) model of strange quark matter (SQM). We found that if we include the Coulomb term in scalar density form, the SQM equation of state (EOS) at high densities is stiffer but if we include the Coulomb term in vector density form it is softer than that of the standard CIDDM model. We also investigate systematically the role of each term of the extended CIDDM model. Compared with what was reported by Chu and Chen [Astrophys. J. 780, 135 (2014)], we found the stiffness of SQM EOS is controlled by the interplay among the oscillator harmonic, isospin asymmetry and Coulomb contributions depending on the parameter's range of these terms. We have found that the absolute stable condition of SQM and the mass of 2 M⊙ pulsars can constrain the parameter of oscillator harmonic κ1≈0.53 in the case the Coulomb term is excluded. If the Coulomb term is included, for the models with their parameters are consistent with SQM absolute stability condition, the 2.0 M⊙ constraint more prefers the maximum mass prediction of the model with the scalar Coulomb term than that of the model with the vector Coulomb term. On the contrary, the high densities EOS predicted by the model with the vector Coulomb is more compatible with the recent perturbative quantum chromodynamics result [1] than that predicted by the model with the scalar Coulomb. Furthermore, we also observed the quark composition in a very high density region depends quite sensitively on the kind of Coulomb term used.

Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations.

PubMed

López-Tarifa, P; Liguori, Nicoletta; van den Heuvel, Naudin; Croce, Roberta; Visscher, Lucas

2017-07-19

The light harvesting complex II (LHCII), is a pigment-protein complex responsible for most of the light harvesting in plants. LHCII harvests sunlight and transfers excitation energy to the reaction centre of the photo-system, where the water oxidation process takes place. The energetics of LHCII can be modulated by means of conformational changes allowing a switch from a harvesting to a quenched state. In this state, the excitation energy is no longer transferred but converted into thermal energy to prevent photooxidation. Based on molecular dynamics simulations at the microsecond time scale, we have recently proposed that the switch between different fluorescent states can be probed by correlating shifts in the chromophore-chromophore Coulomb interactions to particular protein movements. However, these findings are based upon calculations in the ideal point dipole approximation (IDA) where the Coulomb couplings are simplified as first order dipole-dipole interactions, also assuming that the chromophore transition dipole moments lay in particular directions of space with constant moduli (FIX-IDA). In this work, we challenge this approximation using the time-dependent density functional theory (TDDFT) combined with the frozen density embedding (FDE) approach. Our aim is to establish up to which limit FIX-IDA can be applied and which chromophore types are better described under this approximation. For that purpose, we use the classical trajectories of solubilised light harvesting complex II (LHCII) we have recently reported [Liguori et al., Sci. Rep., 2015, 5, 15661] and selected three pairs of chromophores containing chlorophyll and carotenoids (Chl and Car): Chla611-Chla612, Chlb606-Chlb607 and Chla612-Lut620. Using the FDE in the Tamm-Dancoff approximation (FDEc-TDA), we show that IDA is accurate enough for predicting Chl-Chl Coulomb couplings. However, the FIX-IDA largely overestimates Chl-Car interactions mainly because the transition dipole for the Cars is not trivially oriented on the polyene chain.

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.

Comment on "Impurity spectra of graphene under electric and magnetic fields"

NASA Astrophysics Data System (ADS)

Van Pottelberge, R.; Zarenia, M.; Peeters, F. M.

2018-05-01

In a recent paper [Phys. Rev. B 89, 155403 (2014), 10.1103/PhysRevB.89.155403], the authors investigated the spectrum of a Coulomb impurity in graphene in the presence of magnetic and electric fields using the coupled series expansion approach. In the first part of their paper, they investigated how Coulomb impurity states collapse in the presence of a perpendicular magnetic field. We argue that the obtained spectrum does not give information about the atomic collapse and that their interpretation of the spectrum regarding atomic collapse is not correct. We also argue that the obtained results are only valid up to the dimensionless charge |α |=0.5 and, to obtain correct results for α >0.5 , a proper regularization of the Coulomb interaction is required. Here we present the correct numerical results for the spectrum for arbitrary values of α .

A bead-spring chain as a one-dimensional polyelectrolyte gel.

PubMed

Manning, Gerald S

2018-05-23

The physical principles underlying expansion of a single-chain polyelectrolyte coil caused by Coulomb repulsions among its ionized groups, and the expansion of a cross-linked polyelectrolyte gel, are probably the same. In this paper, we analyze a "one-dimensional" version of a gel, namely, a linear chain of charged beads connected by Hooke's law springs. In the Debye-Hückel range of relatively weak Coulomb strength, where counterion condensation does not occur, the springs are realistically stretched on a nanolength scale by the repulsive interactions among the beads, if we use a spring constant normalized by the inverse square of the solvent Bjerrum length. The persistence length and radius of gyration counter-intuitively decrease when Coulomb strength is increased, if analyzed in the framework of an OSF-type theory; however, a buckling theory generates the increase that is consistent with bead-spring simulations.

On the Possibility of Superconductivity in Bilayer Heterostructures

NASA Astrophysics Data System (ADS)

Iordansky, S. V.

2018-04-01

A model is created for bilayer heterostructures in a strong magnetic field which makes it possible to neglect the Coulomb interaction. The thermodynamic instability of states of the electron system in a strong magnetic field leads to the formation of a periodic vortex lattice. The case is considered where the electron density is close to the density of the half-filled Landau level. An electron spectrum is found and an analog of the Cooper effect appearing under the Bogoliubov canonical transformation for electron Fermi operators is studied.

Approach to Multifunctional Device Platform with Epitaxial Graphene on Transition Metal Oxide (Postprint)

DTIC Science & Technology

2015-09-23

with a metal oxide ( TiO2 ). Our novel direct synthesis of graphene/ TiO2 heterostructure is achieved by C60 deposition on transition Ti metal surface...of TiO2 and C 2p orbitals in the conduction band of graphene enabled by Coulomb interactions at the interface. In addition, this heterostructure...provides a platform for realization of bottom gated graphene field effect devices with graphene and TiO2 playing the roles of channel and gate dielectric

Electronic structure and magneto-optical effects in CeSb

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liechtenstein, A.I.; Antropov, V.P.; Harmon, B.N.

1994-04-15

The electronic structure and magneto-optical spectra of CeSb have been calculated using the self-consistent local-density approximation with explicit on-site Coulomb parameters for the correlated [ital f] state of cerium. The essential electronic structure of cerium antimonide consists of one occupied [ital f] band, predominantly with orbital [ital m]=[minus]3 character and spin [sigma]=1 located 2 eV below the Fermi level and interacting with broad Sb [ital p] bands crossing [ital E][sub [ital F

Importance of σ Bonding Electrons for the Accurate Description of Electron Correlation in Graphene.

PubMed

Zheng, Huihuo; Gan, Yu; Abbamonte, Peter; Wagner, Lucas K

2017-10-20

Electron correlation in graphene is unique because of the interplay between the Dirac cone dispersion of π electrons and long-range Coulomb interaction. Because of the zero density of states at Fermi level, the random phase approximation predicts no metallic screening at long distance and low energy, so one might expect that graphene should be a poorly screened system. However, empirically graphene is a weakly interacting semimetal, which leads to the question of how electron correlations take place in graphene at different length scales. We address this question by computing the equal time and dynamic structure factor S(q) and S(q,ω) of freestanding graphene using ab initio fixed-node diffusion Monte Carlo simulations and the random phase approximation. We find that the σ electrons contribute strongly to S(q,ω) for relevant experimental values of ω even at distances up to around 80 Å. These findings illustrate how the emergent physics from underlying Coulomb interactions results in the observed weakly correlated semimetal.

Near-field spatial mapping of strongly interacting multiple plasmonic infrared antennas.

PubMed

Grefe, Sarah E; Leiva, Daan; Mastel, Stefan; Dhuey, Scott D; Cabrini, Stefano; Schuck, P James; Abate, Yohannes

2013-11-21

Near-field dipolar plasmon interactions of multiple infrared antenna structures in the strong coupling limit are studied using scattering-type scanning near-field optical microscope (s-SNOM) and theoretical finite-difference time-domain (FDTD) calculations. We monitor in real-space the evolution of plasmon dipolar mode of a stationary antenna structure as multiple resonantly matched dipolar plasmon particles are closely approaching it. Interparticle separation, length and polarization dependent studies show that the cross geometry structure favors strong interparticle charge-charge, dipole-dipole and charge-dipole Coulomb interactions in the nanometer scale gap region, which results in strong field enhancement in cross-bowties and further allows these structures to be used as polarization filters. The nanoscale local field amplitude and phase maps show that due to strong interparticle Coulomb coupling, cross-bowtie structures redistribute and highly enhance the out-of-plane (perpendicular to the plane of the sample) plasmon near-field component at the gap region relative to ordinary bowties.

A quantitative analysis of weak intermolecular interactions & quantum chemical calculations (DFT) of novel chalcone derivatives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chavda, Bhavin R., E-mail: chavdabhavin9@gmail.com; Dubey, Rahul P.; Patel, Urmila H.

The novel chalcone derivatives have widespread applications in material science and medicinal industries. The density functional theory (DFT) is used to optimized the molecular structure of the three chalcone derivatives (M-I, II, III). The observed discrepancies between the theoretical and experimental (X-ray data) results attributed to different environments of the molecules, the experimental values are of the molecule in solid state there by subjected to the intermolecular forces, like non-bonded hydrogen bond interactions, where as isolated state in gas phase for theoretical studies. The lattice energy of all the molecules have been calculated using PIXELC module in Coulomb –London –Paulimore » (CLP) package and is partitioned into corresponding coulombic, polarization, dispersion and repulsion contributions. Lattice energy data confirm and strengthen the finding of the X-ray results that the weak but significant intermolecular interactions like C-H…O, Π- Π and C-H… Π plays an important role in the stabilization of crystal packing.« less

Effects of relativity of RTEX in collisions of U sup q+ with light targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Mau Hsiung.

1990-11-07

We have calculated the resonant transfer and excitation cross sections in collisions of U{sup q+} (q = 82, 89, 90) ion with H{sub 2}, He and C in impulse approximation using the multi-configuration Dirac-Fock method. The calculations were carried out in intermediate coupling with configuration interaction. The quantum electrodynamic and finite nuclear size corrections were included in the calculations of transition energies. The Auger rates were calculated including the contributions from Coulomb as well as the transverse Breit interactions. For U{sup 89+} and U{sup 90+}, effects of relatively not only shift the peak positions but also change the peak structure.more » The total dielectronic recombination strength has been found to increase by 50% due to the effects of relativity. The present theoretical RTEX cross sections for U{sup 90+} in hydrogen agree well with experiment. For U{sup 82+}, Breit interaction had been found to have little effect on the RTEX cross sections involving L-shell excitation. However, the spin-orbit interaction can still make significant change in the peak structure. 24 refs., 4 figs.« less

Irreducible Green's functions method for a quantum dot coupled to metallic and superconducting leads

NASA Astrophysics Data System (ADS)

Górski, Grzegorz; Kucab, Krzysztof

2017-05-01

Using irreducible Green's functions (IGF) method we analyse the Coulomb interaction dependence of the spectral functions and the transport properties of a quantum dot coupled to isotropic superconductor and metallic leads (SC-QD-N). The irreducible Green's functions method is the modification of classical equation of motion technique. The IGF scheme is based on differentiation of double-time Green's functions, both over the primary and secondary times. The IGF method allows to obtain the spectral functions for equilibrium and non-equilibrium impurity Anderson model used for SC-QD-N system. By the numerical computations, we show the change of spectral and the anomalous densities under the influence of the Coulomb interactions. The observed sign change of the anomalous spectral density can be used as the criterion of the SC singlet-Kondo singlet transition.

An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

DOE PAGES

Kilcrease, D. P.; Colgan, J.; Hakel, P.; ...

2015-06-20

We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using themore » method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.« less

Cooper-pair-condensate fluctuations and plasmons in layered superconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cote, R.; Griffin, A.

1993-10-01

Starting from a given attractive potential, we give a systematic analysis of the spin-singlet [ital s]-wave Cooper-pair-condensate fluctuations in a two-dimensional (2D) superconductor. These results are applied to a superlattice of superconducting sheets in which the 2D charge fluctuations are coupled via the Coulomb interaction. Our main interest is how the low-energy Anderson-Bogoliubov (AB) phonon mode in the pair-breaking gap [omega][lt]2[Delta] is modified by the Coulomb interaction. Our formal analysis is valid at arbitrary temperatures. It describes the weakly bound, large-Cooper-pair limit as well as the strongly bound, small-Cooper-pair limit and thus includes both the BCS and Bose-Einstein scenarios (asmore » discussed by Nozieres and Schmitt-Rink as well as Randeira [ital et] [ital al].). A comlete normal-mode analysis is given for a charged BCS superconductor, showing how the repulsive (Coulomb) interaction modifies the collective modes of a neutral superconductor. This complements the recent numerical study carried out by Fertig and Das Sarma. We show that the pair-response function shares the same spectrum as the charge-response function, given by the zero of the longitudinal dielectric function [epsilon]([bold q],[omega]). In 2D and layered superconductors, there is a low-frequency and high-frequency plasmon branch, separated by a relatively narrow particle-hole continuum at around 2[Delta]. The low-frequency ([omega][lt]2[Delta]) plasmon branch is a renormalized version of the AB phonon mode.« less

Photoinduced Bandgap Renormalization and Exciton Binding Energy Reduction in WS2.

PubMed

Cunningham, Paul D; Hanbicki, Aubrey T; McCreary, Kathleen M; Jonker, Berend T

2017-12-26

Strong Coulomb attraction in monolayer transition metal dichalcogenides gives rise to tightly bound excitons and many-body interactions that dominate their optoelectronic properties. However, this Coulomb interaction can be screened through control of the surrounding dielectric environment as well as through applied voltage, which provides a potential means of tuning the bandgap, exciton binding energy, and emission wavelength. Here, we directly show that the bandgap and exciton binding energy can be optically tuned by means of the intensity of the incident light. Using transient absorption spectroscopy, we identify a sub-picosecond decay component in the excited-state dynamics of WS 2 that emerges for incident photon energies above the A-exciton resonance, which originates from a nonequilibrium population of charge carriers that form excitons as they cool. The generation of this charge-carrier population exhibits two distinct energy thresholds. The higher threshold is coincident with the onset of continuum states and therefore provides a direct optical means of determining both the bandgap and exciton binding energy. Using this technique, we observe a reduction in the exciton binding energy from 310 ± 30 to 220 ± 20 meV as the excitation density is increased from 3 × 10 11 to 1.2 × 10 12 photons/cm 2 . This reduction is due to dynamic dipolar screening of Coulomb interactions by excitons, which is the underlying physical process that initiates bandgap renormalization and leads to the insulator-metal transition in monolayer transition metal dichalcogenides.

Superclimbing dislocation with a Coulomb-type interaction between jogs

NASA Astrophysics Data System (ADS)

Liu, Longxiang; Kuklov, Anatoly B.

2018-03-01

The main candidate for the superfluid pathways in solid 4He are dislocations with Burgers vector along the hcp symmetry axis. Here we focus on the quantum behavior of a generic edge dislocation which can perform superclimb; that is, it can climb due to the superflow along its core. The role of the long-range elastic interactions between jogs is addressed by Monte Carlo simulations. It is found that such interactions do not change qualitatively the phase diagram found without accounting for the long-range forces. Their main effect consists of renormalizing the effective scale determining the compressibility of the dislocation in the Tomonaga-Luttinger liquid phase. It is also found that the quantum rough phase of the dislocation can be well described within the Gaussian approximation which features off-diagonal long-range order (ODLRO) in one dimension for the superfluid order parameter along the core.

Ionization of Atoms by Slow Heavy Particles, Including Dark Matter.

PubMed

Roberts, B M; Flambaum, V V; Gribakin, G F

2016-01-15

Atoms and molecules can become ionized during the scattering of a slow, heavy particle off a bound electron. Such an interaction involving leptophilic weakly interacting massive particles (WIMPs) is a promising possible explanation for the anomalous 9σ annual modulation in the DAMA dark matter direct detection experiment [R. Bernabei et al., Eur. Phys. J. C 73, 2648 (2013)]. We demonstrate the applicability of the Born approximation for such an interaction by showing its equivalence to the semiclassical adiabatic treatment of atomic ionization by slow-moving WIMPs. Conventional wisdom has it that the ionization probability for such a process should be exponentially small. We show, however, that due to nonanalytic, cusplike behavior of Coulomb functions close to the nucleus this suppression is removed, leading to an effective atomic structure enhancement. We also show that electron relativistic effects actually give the dominant contribution to such a process, enhancing the differential cross section by up to 1000 times.

Coulomb suppression in the low-energy p-p elastic scattering via the Trojan Horse Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tumino, A.; Universita degli Studi di Enna 'Kore', Enna; Spitaleri, C.

2010-11-24

We present here an important test of the main feature of the Trojan Horse Method (THM), namely the suppression of Coulomb effects in the entrance channel due to off-energy-shell effects. This is done by measuring the THM p-p elastic scattering via the p+d{yields}p+p+n reaction at 4.7 and 5 MeV, corresponding to a p-p relative energy ranging from 80 to 670 keV. In contrast to the on-energy-shell (OES) case, the extracted p-p cross section does not exhibit the Coulomb-nuclear interference minimum due to the suppression of the Coulomb amplitude. This is confirmed by the half-off-energy shell (HOES) calculations and strengthened bymore » the agreement with the calculated OES nuclear cross sections.« less

Interatomic Coulombic Decay Mediated by Ultrafast Superexchange Energy Transfer.

PubMed

Miteva, Tsveta; Kazandjian, Sévan; Kolorenč, Přemysl; Votavová, Petra; Sisourat, Nicolas

2017-08-25

Inner-valence ionized states of atoms and molecules live shorter if these species are embedded in an environment due to the possibility for ultrafast deexcitation known as interatomic Coulombic decay (ICD). In this Letter we show that the lifetime of these ICD active states decreases further when a bridge atom is in proximity to the two interacting monomers. This novel mechanism, termed superexchange ICD, is an electronic correlation effect driven by the efficient energy transfer via virtual states of the bridge atom. The superexchange ICD is discussed in detail on the example of the NeHeNe trimer. We demonstrate that the decay width of the Ne^{+}(2s^{-1})  ^{2}Σ_{g}^{+} resonance increases 6 times in the presence of the He atom at a distance of 4 Å between the two Ne atoms. Using a simple model, we provide a qualitative explanation of the superexchange ICD and we derive analytical expressions for the dependence of the decay width on the distance between the neon atoms.

Renormalization group method based on the ionization energy theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arulsamy, Andrew Das, E-mail: sadwerdna@gmail.com; School of Physics, University of Sydney, Sydney, New South Wales 2006

2011-03-15

Proofs are developed to explicitly show that the ionization energy theory is a renormalized theory, which mathematically exactly satisfies the renormalization group formalisms developed by Gell-Mann-Low, Shankar and Zinn-Justin. However, the cutoff parameter for the ionization energy theory relies on the energy-level spacing, instead of lattice point spacing in k-space. Subsequently, we apply the earlier proofs to prove that the mathematical structure of the ionization-energy dressed electron-electron screened Coulomb potential is exactly the same as the ionization-energy dressed electron-phonon interaction potential. The latter proof is proven by means of the second-order time-independent perturbation theory with the heavier effective mass condition,more » as required by the electron-electron screened Coulomb potential. The outcome of this proof is that we can derive the heat capacity and the Debye frequency as a function of ionization energy, which can be applied in strongly correlated matter and nanostructures.« less

Incommensurate Graphene Foam as a High Capacity Lithium Intercalation Anode

PubMed Central

Paronyan, Tereza M.; Thapa, Arjun Kumar; Sherehiy, Andriy; Jasinski, Jacek B.; Jangam, John Samuel Dilip

2017-01-01

Graphite’s capacity of intercalating lithium in rechargeable batteries is limited (theoretically, 372 mAh g−1) due to low diffusion within commensurately-stacked graphene layers. Graphene foam with highly enriched incommensurately-stacked layers was grown and applied as an active electrode in rechargeable batteries. A 93% incommensurate graphene foam demonstrated a reversible specific capacity of 1,540 mAh g−1 with a 75% coulombic efficiency, and an 86% incommensurate sample achieves above 99% coulombic efficiency exhibiting 930 mAh g−1 specific capacity. The structural and binding analysis of graphene show that lithium atoms highly intercalate within weakly interacting incommensurately-stacked graphene network, followed by a further flexible rearrangement of layers for a long-term stable cycling. We consider lithium intercalation model for multilayer graphene where capacity varies with N number of layers resulting LiN+1C2N stoichiometry. The effective capacity of commonly used carbon-based rechargeable batteries can be significantly improved using incommensurate graphene as an anode material. PMID:28059110

Cross sections and rate coefficients for inner-shell excitation of Li-like ions with 6 < Z < 42

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.; Kato, T.

1996-07-01

Excitation cross sections and rate coefficients by electron impact were calculated for the 1s22s-1s2s2p, 1s22s-1s2s2 and 1s22s-1s2p2 transitions of the Li-like ions (C IV, N V, O VI, Ne VIII, Mg X, Al XI, Si XII, S XIV, Ar XVI, Ca XVIII, Ti XX, Fe XXIV, Ni XXVI, Zn XXVIII, Ge XXX, Se XXXII, Kr XXXIV and Mo XXXX) in the Coulomb-Born approximation with exchange including relativistic effects and configuration interaction. Level energies, mixing coefficients and transition wavelengths and probabilities were also computed. Calculations performed by the 1/Z perturbation theory and Coulomb-Born approximation are compared with the R-matrix method and the distorted-wave approximation were Z is the nuclear charge. Formulae obtained for the angular factors of n-electron atomic system allow one to generalize this method to an arbitrary system of highly charged ions.

Valley excitons in two-dimensional semiconductors

DOE PAGES

Yu, Hongyi; Cui, Xiaodong; Xu, Xiaodong; ...

2014-12-30

Monolayer group-VIB transition metal dichalcogenides have recently emerged as a new class of semiconductors in the two-dimensional limit. The attractive properties include: the visible range direct band gap ideal for exploring optoelectronic applications; the intriguing physics associated with spin and valley pseudospin of carriers which implies potentials for novel electronics based on these internal degrees of freedom; the exceptionally strong Coulomb interaction due to the two-dimensional geometry and the large effective masses. The physics of excitons, the bound states of electrons and holes, has been one of the most actively studied topics on these two-dimensional semiconductors, where the excitons exhibitmore » remarkably new features due to the strong Coulomb binding, the valley degeneracy of the band edges, and the valley dependent optical selection rules for interband transitions. Here we give a brief overview of the experimental and theoretical findings on excitons in two-dimensional transition metal dichalcogenides, with focus on the novel properties associated with their valley degrees of freedom.« less

Coulomb-stable triply charged diatomic: HeY3+

NASA Astrophysics Data System (ADS)

Wesendrup, Ralf; Pernpointner, Markus; Schwerdtfeger, Peter

1999-11-01

Accurate relativistic coupled-cluster calculations show that the triply charged species HeY3+ is a stable molecule and represents the lightest diatomic trication that does not undergo a Coulomb fragmentation into charged fragments. The diatomic potential-energy curve is approximated by an extended Morse potential, and vibrational-rotational constants for HeY3+ are predicted (Re=224.3 pm, D0=0.394 eV, ωe=437 cm-1, ωexe=15.8 cm-1, Be=0.877 cm-1). It is further shown that the He-Y3+ bond can basically be described as a charge-induced dipole interaction.

Comparative study of energy of particles ejected from coulomb explosion of rare gas and metallic clusters irradiated by intense femtosecond laser field

NASA Astrophysics Data System (ADS)

Boucerredj, N.; Beggas, K.

2016-10-01

We present our study of high intensity femtosecond laser field interaction with large cluster of Kr and Na (contained 2.103 to 2.107 atoms). When laser intensity is above a critical value, it blows off all of electrons from the cluster and forms a non neutral ion cloud. The irradiation of these clusters by the intense laser field leads to highly excitation energy which can be the source of energetic electrons, electronic emission, highly charge, energetic ions and fragmentation process. During the Coulomb explosion of the resulting highly ionized, high temperature nanoplasma, ions acquire again their energy. It is shown that ultra fast ions are produced. The goal of our study is to investigate in detail a comparative study of the expansion and explosion then the ion energy of metallic and rare gas clusters irradiated by an intense femtosecond laser field. We have found that ions have a kinetic energy up to 105 eV and the Coulomb pressure is little than the hydrodynamic pressure. The Coulomb explosion of a cluster may provide a new high energy ion source.

Coulomb Impurity Problem of Graphene in Strong Coupling Regime in Magnetic Fields.

PubMed

Kim, S C; Yang, S-R Eric

2015-10-01

We investigate the Coulomb impurity problem of graphene in strong coupling limit in the presence of magnetic fields. When the strength of the Coulomb potential is sufficiently strong the electron of the lowest energy boundstate of the n = 0 Landau level may fall to the center of the potential. To prevent this spurious effect the Coulomb potential must be regularized. The scaling function for the inverse probability density of this state at the center of the impurity potential is computed in the strong coupling regime. The dependence of the computed scaling function on the regularization parameter changes significantly as the strong coupling regime is approached.

DNA bubble dynamics as a quantum Coulomb problem.

PubMed

Fogedby, Hans C; Metzler, Ralf

2007-02-16

We study the dynamics of denaturation bubbles in double-stranded DNA. Demonstrating that the associated Fokker-Planck equation is equivalent to a Coulomb problem, we derive expressions for the bubble survival distribution W(t). Below Tm, W(t) is associated with the continuum of scattering states of the repulsive Coulomb potential. At Tm, the Coulomb potential vanishes and W(t) assumes a power-law tail with nontrivial dynamic exponents: the critical exponent of the entropy loss factor may cause a finite mean lifetime. Above Tm (attractive potential), the long-time dynamics is controlled by the lowest bound state. Correlations and finite size effects are discussed.

Extracting nuclear sizes of medium to heavy nuclei from total reaction cross sections

NASA Astrophysics Data System (ADS)

Horiuchi, W.; Hatakeyama, S.; Ebata, S.; Suzuki, Y.

2016-04-01

Background: Proton and neutron radii are fundamental quantities of atomic nuclei. To study the sizes of short-lived unstable nuclei, there is a need for an alternative to electron scattering. Purpose: The recent paper by Horiuchi et al. [Phys. Rev. C 89, 011601(R) (2014)], 10.1103/PhysRevC.89.011601 proposed a possible way of extracting the matter and neutron-skin thickness of light- to medium-mass nuclei using total reaction cross section, σR. The analysis is extended to medium to heavy nuclei up to lead isotopes with due attention to Coulomb breakup contributions as well as density distributions improved by paring correlation. Methods: We formulate a quantitative calculation of σR based on the Glauber model including the Coulomb breakup. To substantiate the treatment of the Coulomb breakup, we also evaluate the Coulomb breakup cross section due to the electric dipole field in a canonical-basis-time-dependent-Hartree-Fock-Bogoliubov theory in the three-dimensional coordinate space. Results: We analyze σR's of 103 nuclei with Z =20 , 28, 40, 50, 70, and 82 incident on light targets, H,21, 4He, and 12C. Three kinds of Skyrme interactions are tested to generate those wave functions. To discuss possible uncertainty due to the Coulomb breakup, we examine its dependence on the target, the incident energy, and the Skyrme interaction. The proton is a most promising target for extracting the nuclear sizes as the Coulomb excitation can safely be neglected. We find that the so-called reaction radius, aR=√{σR/π } , for the proton target is very well approximated by a linear function of two variables, the matter radius and the skin thickness, in which three constants depend only on the incident energy. We quantify the accuracy of σR measurements needed to extract the nuclear sizes. Conclusions: The proton is the best target because, once the incident energy is set, its aR is very accurately determined by only the matter radius and neutron-skin thickness. If σR's at different incident energies are measured, one can determine both the proton and neutron radii for unstable nuclei as well. The total reaction cross sections calculated in this paper are given as Supplemental Material for the sake of future measurements.

Self-interaction corrected LDA + U investigations of BiFeO3 properties: plane-wave pseudopotential method

NASA Astrophysics Data System (ADS)

Yaakob, M. K.; Taib, M. F. M.; Lu, L.; Hassan, O. H.; Yahya, M. Z. A.

2015-11-01

The structural, electronic, elastic, and optical properties of BiFeO3 were investigated using the first-principles calculation based on the local density approximation plus U (LDA + U) method in the frame of plane-wave pseudopotential density functional theory. The application of self-interaction corrected LDA + U method improved the accuracy of the calculated properties. Results of structural, electronic, elastic, and optical properties of BiFeO3, calculated using the LDA + U method were in good agreement with other calculation and experimental data; the optimized choice of on-site Coulomb repulsion U was 3 eV for the treatment of strong electronic localized Fe 3d electrons. Based on the calculated band structure and density of states, the on-site Coulomb repulsion U had a significant effect on the hybridized O 2p and Fe 3d states at the valence and the conduction band. Moreover, the elastic stiffness tensor, the longitudinal and shear wave velocities, bulk modulus, Poisson’s ratio, and the Debye temperature were calculated for U = 0, 3, and 6 eV. The elastic stiffness tensor, bulk modulus, sound velocities, and Debye temperature of BiFeO3 consistently decreased with the increase of the U value.

An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling

NASA Astrophysics Data System (ADS)

Liu, Junzi; Cheng, Lan

2018-04-01

An atomic mean-field (AMF) spin-orbit (SO) approach within exact two-component theory (X2C) is reported, thereby exploiting the exact decoupling scheme of X2C, the one-electron approximation for the scalar-relativistic contributions, the mean-field approximation for the treatment of the two-electron SO contribution, and the local nature of the SO interactions. The Hamiltonian of the proposed SOX2CAMF scheme comprises the one-electron X2C Hamiltonian, the instantaneous two-electron Coulomb interaction, and an AMF SO term derived from spherically averaged Dirac-Coulomb Hartree-Fock calculations of atoms; no molecular relativistic two-electron integrals are required. Benchmark calculations for bond lengths, harmonic frequencies, dipole moments, and electric-field gradients for a set of diatomic molecules containing elements across the periodic table show that the SOX2CAMF scheme offers a balanced treatment for SO and scalar-relativistic effects and appears to be a promising candidate for applications to heavy-element containing systems. SOX2CAMF coupled-cluster calculations of molecular properties for bismuth compounds (BiN, BiP, BiF, BiCl, and BiI) are also presented and compared with experimental results to further demonstrate the accuracy and applicability of the SOX2CAMF scheme.

11Li Breakup on 208 at energies around the Coulomb barrier.

PubMed

Fernández-García, J P; Cubero, M; Rodríguez-Gallardo, M; Acosta, L; Alcorta, M; Alvarez, M A G; Borge, M J G; Buchmann, L; Diget, C A; Falou, H A; Fulton, B R; Fynbo, H O U; Galaviz, D; Gómez-Camacho, J; Kanungo, R; Lay, J A; Madurga, M; Martel, I; Moro, A M; Mukha, I; Nilsson, T; Sánchez-Benítez, A M; Shotter, A; Tengblad, O; Walden, P

2013-04-05

The inclusive breakup for the (11)Li + (208)Pb reaction at energies around the Coulomb barrier has been measured for the first time. A sizable yield of (9)Li following the (11)Li dissociation has been observed, even at energies well below the Coulomb barrier. Using the first-order semiclassical perturbation theory of Coulomb excitation it is shown that the breakup probability data measured at small angles can be used to extract effective breakup energy as well as the slope of B(E1) distribution close to the threshold. Four-body continuum-discretized coupled-channels calculations, including both nuclear and Coulomb couplings between the target and projectile to all orders, reproduce the measured inclusive breakup cross sections and support the presence of a dipole resonance in the (11)Li continuum at low excitation energy.

A comparison of Coulomb and pseudo-Coulomb friction implementations: Application to the table contact phase of gymnastics vaulting.

PubMed

Jackson, M I; Hiley, M J; Yeadon, M R

2011-10-13

In the table contact phase of gymnastics vaulting both dynamic and static friction act. The purpose of this study was to develop a method of simulating Coulomb friction that incorporated both dynamic and static phases and to compare the results with those obtained using a pseudo-Coulomb implementation of friction when applied to the table contact phase of gymnastics vaulting. Kinematic data were obtained from an elite level gymnast performing handspring straight somersault vaults using a Vicon optoelectronic motion capture system. An angle-driven computer model of vaulting that simulated the interaction between a seven segment gymnast and a single segment vaulting table during the table contact phase of the vault was developed. Both dynamic and static friction were incorporated within the model by switching between two implementations of the tangential frictional force. Two vaulting trials were used to determine the model parameters using a genetic algorithm to match simulations to recorded performances. A third independent trial was used to evaluate the model and close agreement was found between the simulation and the recorded performance with an overall difference of 13.5%. The two-state simulation model was found to be capable of replicating performance at take-off and also of replicating key contact phase features such as the normal and tangential motion of the hands. The results of the two-state model were compared to those using a pseudo-Coulomb friction implementation within the simulation model. The two-state model achieved similar overall results to those of the pseudo-Coulomb model but obtained solutions more rapidly. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nonlocal screening in metal surfaces

NASA Technical Reports Server (NTRS)

Krotscheck, E.; Kohn, W.

1986-01-01

Due to the effect of the nonuniform environment on the static screening of the Coulomb potential, the local-density approximation for the particle-hole interaction is found to be inadequate to determine the surface energy of simple metals. Use of the same set of single-particle states, and thus the same one-body density and the same work function, has eliminated the single-electron states in favor of the structure of the short-ranged correlations as the basis of this effect. A posteriori simplifications of the Fermi hypernetted-chain theory may be found to allow the same calculational accuracy with simpler computational tools.

DMRG study of fractional quantum Hall effect and valley skyrmions in graphene

NASA Astrophysics Data System (ADS)

Shibata, Naokazu

2011-12-01

The ground state and low-energy excitations of graphene and its bilayer are investigated by the density matrix renormalization group (DMRG) method. We analyze the effect of Coulomb interaction between the electrons including valley degrees of freedoms. The obtained results show finite charge excitation gap at various fractional fillings νn = 1/3, 2/5, 2/3 in the n = 0 and 1 Landau levels of single-layer graphene (SLG) and n = 2 Landau level of bilayer graphene (BLG). The lowest charge excitations at ν = 1/3, and 1 in SLG are valley skyrmions.

Coherent electron{endash}hole correlations in quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joensson, L.; Steiner, M.M.; Wilkins, J.W.

1997-03-01

Using numerical time propagation of the electron{endash}hole wave function, we demonstrate how various coherent correlation effects can be observed by laser excitation of a nanoscale semiconductor quantum dot. The lowest-lying states of an electron{endash}hole pair, when appropriately excited by a laser pulse, give rise to charge oscillations that are manifested by beatings in the optical or intraband polarizations. A GaAs 5{times}25{times}25 nm{sup 3} dot in the effective-mass approximation, including the screened Coulomb interaction between the electron and a heavy or light hole, is simulated. {copyright} {ital 1997 American Institute of Physics.}

Toward High-Performance Lithium-Sulfur Batteries: Upcycling of LDPE Plastic into Sulfonated Carbon Scaffold via Microwave-Promoted Sulfonation.

PubMed

Kim, Patrick J; Fontecha, Harif D; Kim, Kyungho; Pol, Vilas G

2018-05-02

Lithium-sulfur batteries were intensively explored during the last few decades as next-generation batteries owing to their high energy density (2600 Wh kg -1 ) and effective cost benefit. However, systemic challenges, mainly associated with polysulfide shuttling effect and low Coulombic efficiency, plague the practical utilization of sulfur cathode electrodes in the battery market. To address the aforementioned issues, many approaches have been investigated by tailoring the surface characteristics and porosities of carbon scaffold. In this study, we first present an effective strategy of preparing porous sulfonated carbon (PSC) from low-density polyethylene (LDPE) plastic via microwave-promoted sulfonation. Microwave process not only boosts the sulfonation reaction of LDPE but also induces huge amounts of pores within the sulfonated LDPE plastic. When a PSC layer was utilized as an interlayer in lithium-sulfur batteries, the sulfur cathode delivered an improved capacity of 776 mAh g -1 at 0.5C and an excellent cycle retention of 79% over 200 cycles. These are mainly attributed to two materialistic benefits of PSC: (a) porous structure with high surface area and (b) negatively charged conductive scaffold. These two characteristics not only facilitate the improved electrochemical kinetics but also effectively block the diffusion of polysulfides via Coulomb interaction.

Electronic structure of PrBa2Cu3O7: A local-spin-density approximation with on-site Coulomb interaction

NASA Astrophysics Data System (ADS)

Biagini, M.; Calandra, C.; Ossicini, Stefano

1995-10-01

Electronic structure calculations based on the local-spin-density approximation (LSDA) fail to reproduce the antiferromagnetic ground state of PrBa2Cu3O7 (PBCO). We have performed linear muffin-tin orbital-atomic sphere approximation calculations, based on the local-spin-density approximation with on-site Coulomb correlation applied to Cu(1) and Cu(2) 3d states. We have found that inclusion of the on-site Coulomb interaction modifies qualitatively the electronic structure of PBCO with respect to the LSDA results, and gives Cu spin moments in good agreement with the experimental values. The Cu(2) upper Hubbard band lies about 1 eV above the Fermi energy, indicating a CuII oxidation state. On the other hand, the Cu(1) upper Hubbard band is located across the Fermi level, which implies an intermediate oxidation state for the Cu(1) ion, between CuI and CuII. The metallic character of the CuO chains is preserved, in agreement with optical reflectivity [K. Takenaka et al., Phys. Rev. B 46, 5833 (1992)] and positron annihilation experiments [L. Hoffmann et al., Phys. Rev. Lett. 71, 4047 (1993)]. These results support the view of an extrinsic origin of the insulating character of PrBa2Cu3O7.

Dielectric response of Anderson and pseudogapped insulators

NASA Astrophysics Data System (ADS)

Feigel’man, M. V.; Ivanov, D. A.; Cuevas, E.

2018-05-01

Using a combination of analytic and numerical methods, we study the polarizability of a (non-interacting) Anderson insulator in one-, two-, and three-dimensions and demonstrate that, in a wide range of parameters, it scales proportionally to the square of the localization length, contrary to earlier claims based on the effective-medium approximation. We further analyze the effect of electron–electron interactions on the dielectric constant in quasi-1D, quasi-2D and 3D materials with large localization length, including both Coulomb repulsion and phonon-mediated attraction. The phonon-mediated attraction (in the pseudogapped state on the insulating side of the superconductor-insulator transition) produces a correction to the dielectric constant, which may be detected from a linear response of a dielectric constant to an external magnetic field.

Exciton-phonon cooperative mechanism of the triple-q charge-density-wave and antiferroelectric electron polarization in TiSe2

NASA Astrophysics Data System (ADS)

Kaneko, Tatsuya; Ohta, Yukinori; Yunoki, Seiji

2018-04-01

We investigate the microscopic mechanisms of the charge-density-wave (CDW) formation in a monolayer TiSe2 using a realistic multiorbital d -p model with electron-phonon coupling and intersite Coulomb (excitonic) interactions. First, we estimate the tight-binding bands of Ti 3 d and Se 4 p orbitals in the monolayer TiSe2 on the basis of the first-principles band-structure calculations. We thereby show orbital textures of the undistorted band structure near the Fermi level. Next, we derive the electron-phonon coupling using the tight-binding approximation and show that the softening occurs in the transverse phonon mode at the M point of the Brillouin zone. The stability of the triple-q CDW state is thus examined to show that the transverse phonon modes at the M1, M2, and M3 points are frozen simultaneously. Then, we introduce the intersite Coulomb interactions between the nearest-neighbor Ti and Se atoms that lead to the excitonic instability between the valence Se 4 p and conduction Ti 3 d bands. Treating the intersite Coulomb interactions in the mean-field approximation, we show that the electron-phonon and excitonic interactions cooperatively stabilize the triple-q CDW state in TiSe2. We also calculate a single-particle spectrum in the CDW state and reproduce the band folding spectra observed in photoemission spectroscopies. Finally, to clarify the nature of the CDW state, we examine the electronic charge density distribution and show that the CDW state in TiSe2 is of a bond type and induces a vortexlike antiferroelectric polarization in the kagome network of Ti atoms.

Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.

PubMed

Katti, Sachin; Nyenhuis, Sarah B; Her, Bin; Srivastava, Atul K; Taylor, Alexander B; Hart, P John; Cafiso, David S; Igumenova, Tatyana I

2017-06-27

C2 domains are independently folded modules that often target their host proteins to anionic membranes in a Ca 2+ -dependent manner. In these cases, membrane association is triggered by Ca 2+ binding to the negatively charged loop region of the C2 domain. Here, we used a non-native metal ion, Cd 2+ , in lieu of Ca 2+ to gain insight into the contributions made by long-range Coulombic interactions and direct metal ion-lipid bridging to membrane binding. Using X-ray crystallography, NMR, Förster resonance energy transfer, and vesicle cosedimentation assays, we demonstrate that, although Cd 2+ binds to the loop region of C2A/B domains of synaptotagmin 1 with high affinity, long-range Coulombic interactions are too weak to support membrane binding of individual domains. We attribute this behavior to two factors: the stoichiometry of Cd 2+ binding to the loop regions of the C2A and C2B domains and the impaired ability of Cd 2+ to directly coordinate the lipids. In contrast, electron paramagnetic resonance experiments revealed that Cd 2+ does support membrane binding of the C2 domains in full-length synaptotagmin 1, where the high local lipid concentrations that result from membrane tethering can partially compensate for lack of a full complement of divalent metal ions and specific lipid coordination in Cd 2+ -complexed C2A/B domains. Our data suggest that long-range Coulombic interactions alone can drive the initial association of C2A/B with anionic membranes and that Ca 2+ further augments membrane binding by the formation of metal ion-lipid coordination bonds and additional Ca 2+ ion binding to the C2 domain loop regions.

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this paper, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei withmore » $$3{\\le}A{\\le}16$$. Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. Finally, the outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to $$^{16}\\mathrm{O}$$, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.« less

Theory of interaction-induced renormalization of Drude weight and plasmon frequency in chiral multilayer graphene

NASA Astrophysics Data System (ADS)

Li, Xiao; Tse, Wang-Kong

2017-02-01

We develop a theory for the optical conductivity of doped ABC-stacked multilayer graphene including the effects of electron-electron interactions. Applying the quantum kinetic formalism, we formulate a set of pseudospin Bloch equations that govern the dynamics of the nonequilibrium density matrix driven by an external ac electric field under the influence of Coulomb interactions. These equations reveal a dynamical mechanism that couples the Drude and interband responses arising from the chirality of pseudospin textures in multilayer graphene systems. We demonstrate that this results in an interaction-induced enhancement of the Drude weight and plasmon frequency strongly dependent on the pseudospin winding number. Using bilayer graphene as an example, we also study the influence of higher-energy bands and find that they contribute considerable renormalization effects not captured by a low-energy two-band description. We argue that this enhancement of Drude weight and plasmon frequency occurs generally in materials characterized by electronic chirality.

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

DOE PAGES

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.; ...

2018-04-24

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this paper, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei withmore » $$3{\\le}A{\\le}16$$. Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. Finally, the outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to $$^{16}\\mathrm{O}$$, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.« less

Two-dimensional Yukawa interactions from nonlocal Proca quantum electrodynamics

NASA Astrophysics Data System (ADS)

Alves, Van Sérgio; Macrı, Tommaso; Magalhães, Gabriel C.; Marino, E. C.; Nascimento, Leandro O.

2018-05-01

We derive two versions of an effective model to describe dynamical effects of the Yukawa interaction among Dirac electrons in the plane. Such short-range interaction is obtained by introducing a mass term for the intermediate particle, which may be either scalar or an abelian gauge field, both of them in (3 +1 ) dimensions. Thereafter, we consider that the fermionic matter field propagates only in (2 +1 ) dimensions, whereas the bosonic field is free to propagate out of the plane. Within these assumptions, we apply a mechanism for dimensional reduction, which yields an effective model in (2 +1 ) dimensions. In particular, for the gauge-field case, we use the Stueckelberg mechanism in order to preserve gauge invariance. We refer to this version as nonlocal-Proca quantum electrodynamics (NPQED). For both scalar and gauge cases, the effective models reproduce the usual Yukawa interaction in the static limit. By means of perturbation theory at one loop, we calculate the mass renormalization of the Dirac field. Our model is a generalization of Pseudo quantum electrodynamics (PQED), which is a gauge-field model that provides a Coulomb interaction for two-dimensional electrons. Possibilities of application to Fermi-Bose mixtures in mixed dimensions, using cold atoms, are briefly discussed.

Opacity and transport measurements reveal that dilute plasma models of sonoluminescence are not valid.

PubMed

Khalid, Shahzad; Kappus, Brian; Weninger, Keith; Putterman, Seth

2012-03-09

A strong interaction between a nanosecond laser and a 70 μm radius sonoluminescing plasma is achieved. The overall response of the system results in a factor of 2 increase in temperature as determined by its spectrum. Images of the interaction reveal that light energy is absorbed and trapped in a region smaller than the sonoluminescence emitting region of the bubble for over 100 ns. We interpret this opacity and transport measurement as demonstrating that sonoluminescencing bubbles can be 1000 times more opaque than what follows from the Saha equation of statistical mechanics in the ideal plasma limit. To address this discrepancy, we suggest that the effects of strong Coulomb interactions are an essential component of a first principles theory of sonoluminescence.

Opacity and Transport Measurements Reveal That Dilute Plasma Models of Sonoluminescence Are Not Valid

NASA Astrophysics Data System (ADS)

Khalid, Shahzad; Kappus, Brian; Weninger, Keith; Putterman, Seth

2012-03-01

A strong interaction between a nanosecond laser and a 70 μm radius sonoluminescing plasma is achieved. The overall response of the system results in a factor of 2 increase in temperature as determined by its spectrum. Images of the interaction reveal that light energy is absorbed and trapped in a region smaller than the sonoluminescence emitting region of the bubble for over 100 ns. We interpret this opacity and transport measurement as demonstrating that sonoluminescencing bubbles can be 1000 times more opaque than what follows from the Saha equation of statistical mechanics in the ideal plasma limit. To address this discrepancy, we suggest that the effects of strong Coulomb interactions are an essential component of a first principles theory of sonoluminescence.

Photoionization of Ne8+

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Abdel-Naby, Sh. A.; Robicheaux, F.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Ne8+ are calculated using a non-perturbative fully relativistic time-dependent close-coupling method. A Bessel function expansion is used to include both dipole and quadrupole effects in the radiation field interaction and the repulsive interaction between electrons includes both the Coulomb and Gaunt interactions. The fully correlated ground state of Ne8+ is obtained by solving a time-independent inhomogeneous set of close-coupled equations. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ at energies easily accessible at advanced free electron laser facilities. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

On the chemical reaction of matter with antimatter.

PubMed

Lodi Rizzini, Evandro; Venturelli, Luca; Zurlo, Nicola

2007-06-04

A chemical reaction between the building block antiatomic nucleus, the antiproton (p or H- in chemical notation), and the hydrogen molecular ion (H2+) has been observed by the ATHENA collaboration at CERN. The charged pair interact via the long-range Coulomb force in the environment of a Penning trap which is purpose-built to observe antiproton interactions. The net result of the very low energy collision of the pair is the creation of an antiproton-proton bound state, known as protonium (Pn), together with the liberation of a hydrogen atom. The Pn is formed in a highly excited, metastable, state with a lifetime against annihilation of around 1 micros. Effects are observed related to the temperature of the H2+ prior to the interaction, and this is discussed herein.

Structural stability and mechanical properties of technetium mononitride (TcN)

NASA Astrophysics Data System (ADS)

Soni, Shubhangi; Choudhary, K. K.; Kaurav, Netram

2018-05-01

Among the nitrides, 3d and 4d transition metal nitrides have been investigated both experimentally and theoretically due to their predominant performances and enormous applications. In the present paper, we have attempted to predict the structural stability and mechanical properties of technetium mononitride (TcN) using an effective interionic interaction potential, which includes the long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach. Our theoretical approach reveals the structural phase transition of the TcN B3 to B1 structure, wherein, the Gibbs' free energies of both the structures were minimized. The variations of elastic constants with pressure follow a systematic trend identical to that observed in other compounds of ZnS type structure family.

Pressure induced structural phase transition from NaCl-type (B1) to CsCl-type (B2) structure in sodium chloride

NASA Astrophysics Data System (ADS)

Jain, Aayushi; Dixit, R. C.

2018-05-01

Pressure induced structural phase transition of NaCl-type (B1) to CsCl-type (B2) structure in Sodium Chloride NaCl are presented. An effective interionic interaction potential (EIOP) with long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach with modified ionic charge is reported here. The reckon value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are compatible as compared with reported data. The variations of elastic constants and their combinations with pressure follow ordered behavior. The present approach has also succeeded in predicting the Born and relative stability criteria.

Spin-electron acoustic soliton and exchange interaction in separate spin evolution quantum plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andreev, Pavel A., E-mail: andreevpa@physics.msu.ru

Separate spin evolution quantum hydrodynamics is generalized to include the Coulomb exchange interaction, which is considered as interaction between the spin-down electrons being in quantum states occupied by one electron. The generalized model is applied to study the non-linear spin-electron acoustic waves. Existence of the spin-electron acoustic soliton is demonstrated. Contributions of concentration, spin polarization, and exchange interaction to the properties of the spin electron acoustic soliton are studied.

Jahn-Teller effect versus Hund's rule coupling in C60N-

NASA Astrophysics Data System (ADS)

Wehrli, S.; Sigrist, M.

2007-09-01

We propose variational states for the ground state and the low-energy collective rotator excitations in negatively charged C60N- ions (N=1,…,5) . The approach includes the linear electron-phonon coupling and the Coulomb interaction on the same level. The electron-phonon coupling is treated within the effective mode approximation which yields the linear t1u⊗Hg Jahn-Teller problem whereas the Coulomb interaction gives rise to Hund’s rule coupling for N=2,3,4 . The Hamiltonian has accidental SO(3) symmetry which allows an elegant formulation in terms of angular momenta. Trial states are constructed from coherent states and using projection operators onto angular momentum subspaces which results in good variational states for the complete parameter range. The evaluation of the corresponding energies is to a large extent analytical. We use the approach for a detailed analysis of the competition between Jahn-Teller effect and Hund’s rule coupling, which determines the spin state for N=2,3,4 . We calculate the low-spin-high-spin gap for N=2,3,4 as a function of the Hund’s rule coupling constant J . We find that the experimentally measured gaps suggest a coupling constant in the range J=60-80meV . Using a finite value for J , we recalculate the ground state energies of the C60N- ions and find that the Jahn-Teller energy gain is partly counterbalanced by the Hund’s rule coupling. In particular, the ground state energies for N=2,3,4 are almost equal.

Coulomb-repulsion-assisted double ionization from doubly excited states of argon

NASA Astrophysics Data System (ADS)

Liao, Qing; Winney, Alexander H.; Lee, Suk Kyoung; Lin, Yun Fei; Adhikari, Pradip; Li, Wen

2017-08-01

We report a combined experimental and theoretical study to elucidate nonsequential double-ionization dynamics of argon atoms at laser intensities near and below the recollision-induced ionization threshold. Three-dimensional momentum measurements of two electrons arising from strong-field nonsequential double ionization are achieved with a custom-built electron-electron-ion coincidence apparatus, showing laser intensity-dependent Coulomb repulsion effect between the two outgoing electrons. Furthermore, a previously predicted feature of double ionization from doubly excited states is confirmed in the distributions of sum of two-electron momenta. A classical ensemble simulation suggests that Coulomb-repulsion-assisted double ionization from doubly excited states is at play at low laser intensity. This mechanism can explain the dependence of Coulomb repulsion effect on the laser intensity, as well as the transition from side-by-side to back-to-back dominant emission along the laser polarization direction.

An analytically solvable three-body break-up model problem in hyperspherical coordinates

NASA Astrophysics Data System (ADS)

Ancarani, L. U.; Gasaneo, G.; Mitnik, D. M.

2012-10-01

An analytically solvable S-wave model for three particles break-up processes is presented. The scattering process is represented by a non-homogeneous Coulombic Schrödinger equation where the driven term is given by a Coulomb-like interaction multiplied by the product of a continuum wave function and a bound state in the particles coordinates. The closed form solution is derived in hyperspherical coordinates leading to an analytic expression for the associated scattering transition amplitude. The proposed scattering model contains most of the difficulties encountered in real three-body scattering problem, e.g., non-separability in the electrons' spherical coordinates and Coulombic asymptotic behavior. Since the coordinates' coupling is completely different, the model provides an alternative test to that given by the Temkin-Poet model. The knowledge of the analytic solution provides an interesting benchmark to test numerical methods dealing with the double continuum, in particular in the asymptotic regions. An hyperspherical Sturmian approach recently developed for three-body collisional problems is used to reproduce to high accuracy the analytical results. In addition to this, we generalized the model generating an approximate wave function possessing the correct radial asymptotic behavior corresponding to an S-wave three-body Coulomb problem. The model allows us to explore the typical structure of the solution of a three-body driven equation, to identify three regions (the driven, the Coulombic and the asymptotic), and to analyze how far one has to go to extract the transition amplitude.

Effective on-site Coulomb interaction and electron configurations in transition-metal complexes from constraint density functional theory

NASA Astrophysics Data System (ADS)

Nawa, Kenji; Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

Effective on-site Coulomb interactions (Ueff) and electron configurations in the localized d and f orbitals of metal complexes in transition-metal oxides and organometallic molecules, play a key role in the first-principles search for the true ground-state. However, wide ranges of values in the Ueff parameter of a material, even in the same ionic state, are often reported. Here, we revisit this issue from constraint density functional theory (DFT) by using the full-potential linearized augmented plane wave method. The Ueff parameters for prototypical transition-metal oxides, TMO (TM =Mn, Fe, Co, Ni), were calculated by the second derivative of the total energy functional with respect to the d occupation numbers inside the muffin-tin (MT) spheres as a function of the sphere radius. We find that the calculated Ueff values depend significantly on the MT radius, with a variation of more than 3 eV when the MT radius changes from 2.0 to 2.7 a.u., but importantly an identical valence band structure can be produced in all the cases, with an approximate scaling of Ueff. This indicates that a simple transferability of the Ueff value among different calculation methods is not allowed. We further extend the constraint DFT to treat various electron configurations of the localized d-orbitals in organometallic molecules, TMCp2 (TM =Cr, Mn, Fe, Co, Ni), and find that the calculated Ueff values can reproduce the experimentally determined ground-state electron configurations.

Effect of Coulomb friction on orientational correlation and velocity distribution functions in a sheared dilute granular gas.

PubMed

Gayen, Bishakhdatta; Alam, Meheboob

2011-08-01

From particle simulations of a sheared frictional granular gas, we show that the Coulomb friction can have dramatic effects on orientational correlation as well as on both the translational and angular velocity distribution functions even in the Boltzmann (dilute) limit. The dependence of orientational correlation on friction coefficient (μ) is found to be nonmonotonic, and the Coulomb friction plays a dual role of enhancing or diminishing the orientational correlation, depending on the value of the tangential restitution coefficient (which characterizes the roughness of particles). From the sticking limit (i.e., with no sliding contact) of rough particles, decreasing the Coulomb friction is found to reduce the density and spatial velocity correlations which, together with diminished orientational correlation for small enough μ, are responsible for the transition from non-gaussian to gaussian distribution functions in the double limit of small friction (μ→0) and nearly elastic particles (e→1). This double limit in fact corresponds to perfectly smooth particles, and hence the maxwellian (gaussian) is indeed a solution of the Boltzmann equation for a frictional granular gas in the limit of elastic collisions and zero Coulomb friction at any roughness. The high-velocity tails of both distribution functions seem to follow stretched exponentials even in the presence of Coulomb friction, and the related velocity exponents deviate strongly from a gaussian with increasing friction.

The Anomalous Hall Effect and Non-Equilibrium Transport

NASA Astrophysics Data System (ADS)

Ye, Fei

1995-01-01

This thesis contains three relatively independent research areas. In the first part of this thesis, the anomalous Hall effect of amorphous, high-resistance, Fe films (2 -10 monolayers thick) is investigated as a function of temperature. We find a logarithmic temperature dependence of the anomalous Hall resistance similar to the Coulomb anomaly of the resistance but twice its magnitude. The measurements are in excellent agreement with a theoretical calculation and provide us with an independent confirmation of the influence of the enhanced Coulomb interaction in disordered electron systems on transport properties. In the second part of the thesis, the nonequilibrium transport properties of metallic microstructures are studied. An electron beam lithography technique is used in making small structures. The electron temperature and phonon temperature are calculated. It is confirmed that the electron temperatures obtained from both thermometers (weak localization and the Coulomb anomaly) are consistent. It is also found that the phonon temperature in the film is considerably higher than the substrate temperature in the experiments. In addition, the dimensionality of the phonon system in the film is discussed, as well as the phonon escape time. In the third part, the magnetic behavior of V on Au films is studied. Weak localization and the anomalous Hall effect are used to investigate the magnetic properties of sub-mono, mono-, and multilayers of Vanadium on the surface of an Au film. Dilute V atoms possess a strong magnetic moment. For a monolayer the magnetic scattering is reduced by a factor of about 40. This suggests a strongly reduced moment of V compared with the dilute V coverage. From the anomalous Hall effect, it is concluded that the magnetic structure is anti-ferromagnetic; the moment per V atom in multilayers progressively diminishes but is still finite for 16 atomic layers of V. In Appendix A, the nonequilibrium distribution of the phonon system in a metal film is evaluated. The phonon escape time and the effective phonon temperature are calculated.

Coulomb-free and Coulomb-distorted recolliding quantum orbits in photoelectron holography

NASA Astrophysics Data System (ADS)

Maxwell, A. S.; Figueira de Morisson Faria, C.

2018-06-01

We perform a detailed analysis of the different types of orbits in the Coulomb quantum orbit strong-field approximation (CQSFA), ranging from direct to those undergoing hard collisions. We show that some of them exhibit clear counterparts in the standard formulations of the strong-field approximation for direct and rescattered above-threshold ionization, and show that the standard orbit classification commonly used in Coulomb-corrected models is over-simplified. We identify several types of rescattered orbits, such as those responsible for the low-energy structures reported in the literature, and determine the momentum regions in which they occur. We also find formerly overlooked interference patterns caused by backscattered Coulomb-corrected orbits and assess their effect on photoelectron angular distributions. These orbits improve the agreement of photoelectron angular distributions computed with the CQSFA with the outcome of ab initio methods for high energy phtotoelectrons perpendicular to the field polarization axis.

Computational assignment of redox states to Coulomb blockade diamonds.

PubMed

Olsen, Stine T; Arcisauskaite, Vaida; Hansen, Thorsten; Kongsted, Jacob; Mikkelsen, Kurt V

2014-09-07

With the advent of molecular transistors, electrochemistry can now be studied at the single-molecule level. Experimentally, the redox chemistry of the molecule manifests itself as features in the observed Coulomb blockade diamonds. We present a simple theoretical method for explicit construction of the Coulomb blockade diamonds of a molecule. A combined quantum mechanical/molecular mechanical method is invoked to calculate redox energies and polarizabilities of the molecules, including the screening effect of the metal leads. This direct approach circumvents the need for explicit modelling of the gate electrode. From the calculated parameters the Coulomb blockade diamonds are constructed using simple theory. We offer a theoretical tool for assignment of Coulomb blockade diamonds to specific redox states in particular, and a study of chemical details in the diamonds in general. With the ongoing experimental developments in molecular transistor experiments, our tool could find use in molecular electronics, electrochemistry, and electrocatalysis.

Dynamics of DNA breathing: weak noise analysis, finite time singularity, and mapping onto the quantum Coulomb problem.

PubMed

Fogedby, Hans C; Metzler, Ralf

2007-12-01

We study the dynamics of denaturation bubbles in double-stranded DNA on the basis of the Poland-Scheraga model. We show that long time distributions for the survival of DNA bubbles and the size autocorrelation function can be derived from an asymptotic weak noise approach. In particular, below the melting temperature the bubble closure corresponds to a noisy finite time singularity. We demonstrate that the associated Fokker-Planck equation is equivalent to a quantum Coulomb problem. Below the melting temperature, the bubble lifetime is associated with the continuum of scattering states of the repulsive Coulomb potential; at the melting temperature, the Coulomb potential vanishes and the underlying first exit dynamics exhibits a long time power law tail; above the melting temperature, corresponding to an attractive Coulomb potential, the long time dynamics is controlled by the lowest bound state. Correlations and finite size effects are discussed.

Proton Distribution in Heavy Nuclei

DOE R&D Accomplishments Database

Johnson, M. H; Teller, E.

1953-11-13

It is reasoned that, from considerations connected with beta-decay stability and Coulomb repulsion forces, a neutron excess is developed on the surface of heavy nuclei. Several consequences of this qualitative analysis in nucleon interactions are briefly noted. (K.S.)

Phase Transitions of the Polariton Condensate in 2D Dirac Materials

NASA Astrophysics Data System (ADS)

Lee, Ki Hoon; Lee, Changhee; Min, Hongki; Chung, Suk Bum

2018-04-01

For the quantum well in an optical microcavity, the interplay of the Coulomb interaction and the electron-photon (e -ph) coupling can lead to the hybridizations of the exciton and the cavity photon known as polaritons, which can form the Bose-Einstein condensate above a threshold density. Additional physics due to the nontrivial Berry phase comes into play when the quantum well consists of the gapped two-dimensional Dirac material such as the transition metal dichalcogenide MoS2 or WSe2 . Specifically, in forming the polariton, the e -ph coupling from the optical selection rule due to the Berry phase can compete against the Coulomb electron-electron (e -e ) interaction. We find that this competition gives rise to a rich phase diagram for the polariton condensate involving both topological and symmetry breaking phase transitions, with the former giving rise to the quantum anomalous Hall and the quantum spin Hall phases.

Phase Transitions of the Polariton Condensate in 2D Dirac Materials.

PubMed

Lee, Ki Hoon; Lee, Changhee; Min, Hongki; Chung, Suk Bum

2018-04-13

For the quantum well in an optical microcavity, the interplay of the Coulomb interaction and the electron-photon (e-ph) coupling can lead to the hybridizations of the exciton and the cavity photon known as polaritons, which can form the Bose-Einstein condensate above a threshold density. Additional physics due to the nontrivial Berry phase comes into play when the quantum well consists of the gapped two-dimensional Dirac material such as the transition metal dichalcogenide MoS_{2} or WSe_{2}. Specifically, in forming the polariton, the e-ph coupling from the optical selection rule due to the Berry phase can compete against the Coulomb electron-electron (e-e) interaction. We find that this competition gives rise to a rich phase diagram for the polariton condensate involving both topological and symmetry breaking phase transitions, with the former giving rise to the quantum anomalous Hall and the quantum spin Hall phases.

Electric Dipolar Kondo Effect Emerging from a Vibrating Magnetic Ion

NASA Astrophysics Data System (ADS)

Hotta, Takashi; Ueda, Kazuo

2012-06-01

When a magnetic ion vibrates in a metal, it inevitably introduces a new channel of hybridization with conduction electrons, and in general, the vibrating ion induces an electric dipole moment. In such a situation, we find that magnetic and nonmagnetic Kondo effects alternatively occur due to the screening of the spin moment and electric dipole moment of the vibrating ion. In particular, the electric dipolar two-channel Kondo effect is found to occur for a weak Coulomb interaction. We also show that a magnetically robust heavy-electron state appears near the fixed point of the electric dipolar two-channel Kondo effect. We believe that the vibrating magnetic ion opens a new door in Kondo physics.

Carrier multiplication in semiconductor nanocrystals: theoretical screening of candidate materials based on band-structure effects.

PubMed

Luo, Jun-Wei; Franceschetti, Alberto; Zunger, Alex

2008-10-01

Direct carrier multiplication (DCM) occurs when a highly excited electron-hole pair decays by transferring its excess energy to the electrons rather than to the lattice, possibly exciting additional electron-hole pairs. Atomistic electronic structure calculations have shown that DCM can be induced by electron-hole Coulomb interactions, in an impact-ionization-like process whose rate is proportional to the density of biexciton states rho XX. Here we introduce a DCM "figure of merit" R2(E) which is proportional to the ratio between the biexciton density of states rhoXX and the single-exciton density of states rhoX, restricted to single-exciton and biexciton states that are coupled by Coulomb interactions. Using R2(E), we consider GaAs, InAs, InP, GaSb, InSb, CdSe, Ge, Si, and PbSe nanocrystals of different sizes. Although DCM can be affected by both quantum-confinement effects (reflecting the underly electronic structure of the confined dot-interior states) and surface effects, here we are interested to isolate the former. To this end the nanocrystal energy levels are obtained from the corresponding bulk band structure via the truncated crystal approximation. We find that PbSe, Si, GaAs, CdSe, and InP nanocrystals have larger DCM figure of merit than the other nanocrystals. Our calculations suggest that high DCM efficiency requires high degeneracy of the corresponding bulk band-edge states. Interestingly, by considering band structure effects we find that as the dot size increases the DCM critical energy E0 (the energy at which R2(E) becomes >or=1) is reduced, suggesting improved DCM. However, whether the normalized E0/epsilong increases or decreases as the dot size increases depends on dot material.

Thermoelectrics in Coulomb-coupled quantum dots: Cotunneling and energy-dependent lead couplings

NASA Astrophysics Data System (ADS)

Walldorf, Nicklas; Jauho, Antti-Pekka; Kaasbjerg, Kristen

2017-09-01

We study thermoelectric effects in Coulomb-coupled quantum-dot (CCQD) systems beyond lowest-order tunneling processes and the often applied wide-band approximation. To this end, we present a master-equation (ME) approach based on a perturbative T -matrix calculation of the charge and heat tunneling rates and transport currents. Applying the method to transport through a noninteracting single-level QD, we demonstrate excellent agreement with the Landauer-Büttiker theory when higher-order (cotunneling) processes are included in the ME. Next, we study the effect of cotunneling and energy-dependent lead couplings on the heat currents in a system of two CCQDs. We find that cotunneling processes (i) can dominate the off-resonant heat currents at low temperature and bias compared to the interdot interaction, and (ii) give rise to a pronounced reduction of the cooling power achievable with the recently demonstrated Maxwell's demon cooling mechanism. Furthermore, we demonstrate that the cooling power can be boosted significantly by carefully engineering the energy dependence of the lead couplings to filter out undesired transport processes. Our findings emphasize the importance of higher-order cotunneling processes as well as engineered energy-dependent lead couplings in the optimization of the thermoelectric performance of CCQD systems.

Non-perturbative RPA-method implemented in the Coulomb gauge QCD Hamiltonian: From quarks and gluons to baryons and mesons

NASA Astrophysics Data System (ADS)

Yepez-Martinez, Tochtli; Civitarese, Osvaldo; Hess, Peter O.

2018-02-01

Starting from an algebraic model based on the QCD-Hamiltonian and previously applied to study meson states, we have developed an extension of it in order to explore the structure of baryon states. In developing our approach we have adapted concepts taken from group theory and non-perturbative many-body methods to describe states built from effective quarks and anti-quarks degrees of freedom. As a Hamiltonian we have used the QCD Hamiltonian written in the Coulomb Gauge, and expressed it in terms of effective quark-antiquark, di-quarks and di-antiquark excitations. To gain some insights about the relevant interactions of quarks in hadronic states, the Hamiltonian was approximately diagonalized by mapping quark-antiquark pairs and di-quarks (di-antiquarks) onto phonon states. In dealing with the structure of the vacuum of the theory, color-scalar and color-vector states are introduced to account for ground-state correlations. While the use of a purely color-scalar ground state is an obvious choice, so that colorless hadrons contain at least three quarks, the presence of coupled color-vector pairs in the ground state allows for colorless excitations resulting from the action of color objects upon it.

Self-Consistent Theory of Shot Noise Suppression in Ballistic Conductors

NASA Astrophysics Data System (ADS)

Bulashenko, O. M.; Rubí, J. M.; Kochelap, V. A.

Shot-noise measurements become a fundamental tool to probe carrier interactions in mesoscopic systems [1]. A matter of particular interest is the significance of Coulomb interaction which may keep nearby electrons more regularly spaced rather than strictly at random and lead to the noise reduction. That effect occurs in different physical situations. Among them are charge-limited ballistic transport, resonant tunneling, single-electron tunneling, etc. In this communication we address the problem of Coulomb correlations in ballistic conductors under the space-charge-limited transport conditions, and present for the first time a semiclassical self-consistent theory of shot noise in these conductors by solving analytically the kinetic equation coupled self-consistently with a Poisson equation. Basing upon this theory, exact results for current noise in a two-terminal ballistic conductor under the action of long-range Coulomb correlations has been derived. The noise reduction factor (in respect to the uncorrelated value) is obtained in a closed analytical form for a full range of biases ranging from thermal to shot-noise limits which describe perfectly the results of the Monte Carlo simulations for a nondegenerate electron gas [2]. The magnitude of the noise reduction exceeds 0.01, which is of interest from the point of view of possible applications. Using these analytical results one may estimate a relative contribution to the noise from different groups of carriers (in energy space and/or real space) and to investigate in great detail the correlations between different groups of carriers. This leads us to suggest an electron energy spectroscopy experiment to probe the Coulomb correlations in ballistic conductors. Indeed, while the injected carriers are uncorrelated, those in the volume of the conductor are strongly correlated, as follows from the derived formulas for the fluctuation of the distribution function. Those correlations may be observed experimentally by making use of a combination of two already realized techniques: a hot-electron spectrometer [3,4] which allows one to analyze different energy groups of electrons collected at the contact and shot-noise measurements [5,6]. Such "shot noise reduction spectroscopy" allows one to measure the novel phenomena. In particular, we predict the (anti)correlation of the "tangent" electrons having the energy close to the potential barrier height, to all other electron energy groups collected at the receiving contact.

Electrons in Flatland

NASA Astrophysics Data System (ADS)

MacDonald, Allan

2007-04-01

Like the classical squares and triangles in Edwin Abbott's 19th century social satire and science fiction novel Flatland, electrons and other quantum particles behave differently when confined to a two-dimensional world. Condensed matter physicists have been intrigued and regularly suprised by two-dimensional electron systems since they were first studied in semiconductor field-effect-transistor devices over forty years ago. I will discuss some important milestones in the study of two-dimensional electrn systems, from the discoveries of the integer and fractional quantum Hall effects in the 1980's to recent quantum Hall effect work on quasiparticles with non-Abelian quantum statistics. Special attention will be given to a new electronic Flatland that has risen to prominence recently, graphene, which consists of a single sheet of carbon atoms in a honeycomb lattice arrangement. Graphene provides a realization of two-dimensional massless Dirac fermions which interact via nearly instantaneous Coulomb interactions. Early research on graphene has demonstrated yet again that Flatland exceeds expectations.

Superfluidity of dipolar excitons in a transition metal dichalcogenide double layer

NASA Astrophysics Data System (ADS)

Berman, Oleg L.; Kezerashvili, Roman Ya.

2017-09-01

We study formation and superfluidity of dipolar excitons in double layer heterostructures formed by two transition metal dichalcogenide (TMDC) atomically thin layers. Considering screening effects for an electron-hole interaction via the harmonic oscillator approximation for the Keldysh potential, the analytical expressions for the exciton energy spectrum and the mean field critical temperature Tc for the superfluidity are obtained. It is shown that binding energies of A excitons are larger than for B excitons. The mean field critical temperature for a two-component dilute exciton system in a TMDC double layer is analyzed and shown that the latter is an increasing function of the factor Q , determined by the effective masses of A and B excitons and their reduced mass. Comparison of the calculations for Tc performed by employing the Coulomb and Keldysh interactions demonstrates the importance of screening effects in TMDC.

A theory of single-electron non-adiabatic tunneling through a small metal nanoparticle with due account of the strong interaction of valence electrons with phonons of the condensed matter environment.

PubMed

Medvedev, Igor G

2011-11-07

A theory of electrochemical behavior of small metal nanoparticles (NPs) which is governed both by the charging effect and the effect of the solvent reorganization on the dynamic of the electron transfer (ET) is considered under ambient conditions. The exact expression for the rate constant of ET from an electrode to NP which is valid for all values of the reorganization free energy E(r), bias voltage, and overpotential is obtained in the non-adiabatic limit. The tunnel current/overpotential relations are studied and calculated for different values of the bias voltage and E(r). The effect of E(r) on the full width at half maximum of the charging peaks is investigated at different values of the bias voltage. The differential conductance/bias voltage and the tunnel current/bias voltage dependencies are also studied and calculated. It is shown that, at room temperature, the pronounced Coulomb blockade oscillations in the differential conductance/bias voltage curves and the noticeable Coulomb staircase in the tunnel current/bias voltage relations are observed only at rather small values of E(r) in the case of the strongly asymmetric tunneling contacts.

On the theory and simulation of multiple Coulomb scattering of heavy-charged particles.

PubMed

Striganov, S I

2005-01-01

The Moliere theory of multiple Coulomb scattering is modified to take into account the difference between processes of scattering off atomic nuclei and electrons. A simple analytical expression for angular distribution of charged particles passing through a thick absorber is found. It does not assume any special form for a differential scattering cross section and has a wider range of applicability than a gaussian approximation. A well-known method to simulate multiple Coulomb scatterings is based on treating 'soft' and 'hard' collisions differently. An angular deflection in a large number of 'soft' collisions is sampled using the proposed distribution function, a small number of 'hard' collision are simulated directly. A boundary between 'hard' and 'soft' collisions is defined, providing a precise sampling of a scattering angle (1% level) and a small number of 'hard' collisions. A corresponding simulating module takes into account projectile and nucleus charged distributions and exact kinematics of a projectile-electron interaction.

Improved Shell models for screened Coulomb balls

NASA Astrophysics Data System (ADS)

Bonitz, M.; Kaehlert, H.; Henning, C.; Baumgartner, H.; Filinov, A.

2006-10-01

Spherical Coulomb crystals in dusty plasmas [1] are well described by an isotropic Yukawa-type pair interaction and an external parabolic confinement as was shown by extensive molecular dynamics simulations [2]. A much simpler description is possible with analytical shell models which have been derived for Yukawas plasmas in [3,4]. Here we analyze improved Yukawa shell models which include correlations along the lines proposed for Coulomb crystals in [5]. The shell configurations are efficiently evaluated using a Monte Carlo procedure. [1] O. Arp, A. Piel and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golunychiy, H. Baumgartner, P. Ludwig, A. Piel and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] H. Totsuji, C. Totsuji, T. Ogawa, and K. Tsuruta, Phys. Rev. E 71, 045401 (2005). [4] C. Henning, M. Bonitz, A. Piel, P. Ludwig, H. Baumgartner, V. Golubnichiy, and D. Block, submitted to Phys. Rev. E [5] W.D. Kraeft and M. Bonitz, J. Phys. Conf. Ser. 35, 94 (2006).

Dynamical ion transfer between coupled Coulomb crystals in a double-well potential.

PubMed

Klumpp, Andrea; Zampetaki, Alexandra; Schmelcher, Peter

2017-09-01

We investigate the nonequilibrium dynamics of coupled Coulomb crystals of different sizes trapped in a double well potential. The dynamics is induced by an instantaneous quench of the potential barrier separating the two crystals. Due to the intra- and intercrystal Coulomb interactions and the asymmetric population of the potential wells, we observe a complex reordering of ions within the two crystals as well as ion transfer processes from one well to the other. The study and analysis of the latter processes constitutes the main focus of this work. In particular, we examine the dependence of the observed ion transfers on the quench amplitude performing an analysis for different crystalline configurations ranging from one-dimensional ion chains via two-dimensional zigzag chains and ring structures to three-dimensional spherical structures. Such an analysis provides us with the means to extract the general principles governing the ion transfer dynamics and we gain some insight on the structural disorder caused by the quench of the barrier height.

Magnetic monopole dynamics in spin ice.

PubMed

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.

Size dependence in tunneling spectra of PbSe quantum-dot arrays.

PubMed

Ou, Y C; Cheng, S F; Jian, W B

2009-07-15

Interdot Coulomb interactions and collective Coulomb blockade were theoretically argued to be a newly important topic, and experimentally identified in semiconductor quantum dots, formed in the gate confined two-dimensional electron gas system. Developments of cluster science and colloidal synthesis accelerated the studies of electron transport in colloidal nanocrystal or quantum-dot solids. To study the interdot coupling, various sizes of two-dimensional arrays of colloidal PbSe quantum dots are self-assembled on flat gold surfaces for scanning tunneling microscopy and scanning tunneling spectroscopy measurements at both room and liquid-nitrogen temperatures. The tip-to-array, array-to-substrate, and interdot capacitances are evaluated and the tunneling spectra of quantum-dot arrays are analyzed by the theory of collective Coulomb blockade. The current-voltage of PbSe quantum-dot arrays conforms properly to a scaling power law function. In this study, the dependence of tunneling spectra on the sizes (numbers of quantum dots) of arrays is reported and the capacitive coupling between quantum dots in the arrays is explored.

Carcass Functions in Variational Calculations for Few-Body Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donchev, A.G.; Kalachev, S.A.; Kolesnikov, N.N.

For variational calculations of molecular and nuclear systems involving a few particles, it is proposed to use carcass basis functions that generalize exponential and Gaussian trial functions. It is shown that the matrix elements of the Hamiltonian are expressed in a closed form for a Coulomb potential, as well as for other popular particle-interaction potentials. The use of such carcass functions in two-center Coulomb problems reduces, in relation to other methods, the number of terms in a variational expansion by a few orders of magnitude at a commensurate or even higher accuracy. The efficiency of the method is illustrated bymore » calculations of the three-particle Coulomb systems {mu}{mu}e, ppe, dde, and tte and the four-particle molecular systems H{sub 2} and HeH{sup +} of various isotopic composition. By considering the example of the {sub {lambda}}{sup 9}Be hypernucleus, it is shown that the proposed method can be used in calculating nuclear systems as well.« less

Itinerant electrons in the Coulomb phase

NASA Astrophysics Data System (ADS)

Jaubert, L. D. C.; Piatecki, Swann; Haque, Masudul; Moessner, R.

2012-02-01

We study the interplay between magnetic frustration and itinerant electrons. For example, how does the coupling to mobile charges modify the properties of a spin liquid, and does the underlying frustration favor insulating or conducting states? Supported by Monte Carlo simulations, our goal is in particular to provide an analytical picture of the mechanisms involved. The models under consideration exhibit Coulomb phases in two and three dimensions, where the itinerant electrons are coupled to the localized spins via double exchange interactions. Because of the Hund coupling, magnetic loops naturally emerge from the Coulomb phase and serve as conducting channels for the mobile electrons, leading to doping-dependent rearrangements of the loop ensemble in order to minimize the electronic kinetic energy. At low electron density ρ, the double exchange coupling mainly tends to segment the very long loops winding around the system into smaller ones while it gradually lifts the extensive degeneracy of the Coulomb phase with increasing ρ. For higher doping, the results are strongly lattice dependent, displaying loop crystals with a given loop length for some specific values of ρ. By varying ρ, they can melt into different mixtures of these loop crystals, recovering extensive degeneracy in the process. Finally, we contrast this to the qualitatively different behavior of analogous models on kagome or triangular lattices.

Condensates of p-wave pairs are exact solutions for rotating two-component Bose gases.

PubMed

Papenbrock, T; Reimann, S M; Kavoulakis, G M

2012-02-17

We derive exact analytical results for the wave functions and energies of harmonically trapped two-component Bose-Einstein condensates with weakly repulsive interactions under rotation. The isospin symmetric wave functions are universal and do not depend on the matrix elements of the two-body interaction. The comparison with the results from numerical diagonalization shows that the ground state and low-lying excitations consist of condensates of p-wave pairs for repulsive contact interactions, Coulomb interactions, and the repulsive interactions between aligned dipoles.

Theory of thermal conductivity in the disordered electron liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwiete, G., E-mail: schwiete@uni-mainz.de; Finkel’stein, A. M.

2016-03-15

We study thermal conductivity in the disordered two-dimensional electron liquid in the presence of long-range Coulomb interactions. We describe a microscopic analysis of the problem using the partition function defined on the Keldysh contour as a starting point. We extend the renormalization group (RG) analysis developed for thermal transport in the disordered Fermi liquid and include scattering processes induced by the long-range Coulomb interaction in the sub-temperature energy range. For the thermal conductivity, unlike for the electrical conductivity, these scattering processes yield a logarithmic correction that may compete with the RG corrections. The interest in this correction arises from themore » fact that it violates the Wiedemann–Franz law. We checked that the sub-temperature correction to the thermal conductivity is not modified either by the inclusion of Fermi liquid interaction amplitudes or as a result of the RG flow. We therefore expect that the answer obtained for this correction is final. We use the theory to describe thermal transport on the metallic side of the metal–insulator transition in Si MOSFETs.« less

Impact of Many-Body Effects on Landau Levels in Graphene

NASA Astrophysics Data System (ADS)

Sonntag, J.; Reichardt, S.; Wirtz, L.; Beschoten, B.; Katsnelson, M. I.; Libisch, F.; Stampfer, C.

2018-05-01

We present magneto-Raman spectroscopy measurements on suspended graphene to investigate the charge carrier density-dependent electron-electron interaction in the presence of Landau levels. Utilizing gate-tunable magnetophonon resonances, we extract the charge carrier density dependence of the Landau level transition energies and the associated effective Fermi velocity vF. In contrast to the logarithmic divergence of vF at zero magnetic field, we find a piecewise linear scaling of vF as a function of the charge carrier density, due to a magnetic-field-induced suppression of the long-range Coulomb interaction. We quantitatively confirm our experimental findings by performing tight-binding calculations on the level of the Hartree-Fock approximation, which also allow us to estimate an excitonic binding energy of ≈6 meV contained in the experimentally extracted Landau level transitions energies.

Investigation of effective impact parameters in electron-ion temperature relaxation via Particle-Particle Coulombic molecular dynamics

NASA Astrophysics Data System (ADS)

Zhao, Yinjian

2017-09-01

Aiming at a high simulation accuracy, a Particle-Particle (PP) Coulombic molecular dynamics model is implemented to study the electron-ion temperature relaxation. In this model, the Coulomb's law is directly applied in a bounded system with two cutoffs at both short and long length scales. By increasing the range between the two cutoffs, it is found that the relaxation rate deviates from the BPS theory and approaches the LS theory and the GMS theory. Also, the effective minimum and maximum impact parameters (bmin* and bmax*) are obtained. For the simulated plasma condition, bmin* is about 6.352 times smaller than the Landau length (bC), and bmax* is about 2 times larger than the Debye length (λD), where bC and λD are used in the LS theory. Surprisingly, the effective relaxation time obtained from the PP model is very close to the LS theory and the GMS theory, even though the effective Coulomb logarithm is two times greater than the one used in the LS theory. Besides, this work shows that the PP model (commonly known as computationally expensive) is becoming practicable via GPU parallel computing techniques.

Limit analysis and homogenization of porous materials with Mohr-Coulomb matrix. Part I: Theoretical formulation

NASA Astrophysics Data System (ADS)

Anoukou, K.; Pastor, F.; Dufrenoy, P.; Kondo, D.

2016-06-01

The present two-part study aims at investigating the specific effects of Mohr-Coulomb matrix on the strength of ductile porous materials by using a kinematic limit analysis approach. While in the Part II, static and kinematic bounds are numerically derived and used for validation purpose, the present Part I focuses on the theoretical formulation of a macroscopic strength criterion for porous Mohr-Coulomb materials. To this end, we consider a hollow sphere model with a rigid perfectly plastic Mohr-Coulomb matrix, subjected to axisymmetric uniform strain rate boundary conditions. Taking advantage of an appropriate family of three-parameter trial velocity fields accounting for the specific plastic deformation mechanisms of the Mohr-Coulomb matrix, we then provide a solution of the constrained minimization problem required for the determination of the macroscopic dissipation function. The macroscopic strength criterion is then obtained by means of the Lagrangian method combined with Karush-Kuhn-Tucker conditions. After a careful analysis and discussion of the plastic admissibility condition associated to the Mohr-Coulomb criterion, the above procedure leads to a parametric closed-form expression of the macroscopic strength criterion. The latter explicitly shows a dependence on the three stress invariants. In the special case of a friction angle equal to zero, the established criterion reduced to recently available results for porous Tresca materials. Finally, both effects of matrix friction angle and porosity are briefly illustrated and, for completeness, the macroscopic plastic flow rule and the voids evolution law are fully furnished.

Gauge symmetry, chirality and parity effects in four-particle systems: Coulomb's law as a universal function for diatomic molecules.

PubMed

Van Hooydonk, G

2000-11-01

Following recent work in search for a universal function (Van Hooydonk, Eur. J. Inorg. Chem., (1999), 1617), we test four symmetric +/- a(n)Rn potentials for reproducing molecular potential energy curves (PECs). Classical gauge symmetry for 1/R-potentials results in generic left right asymmetric PECs. A pair of symmetric perturbed Coulomb potentials is quantitatively in accordance with observed PECs. For a bond, a four-particle system, charge inversion (a parity effect, atom chirality) is the key to explain this shape generically. A parity adapted Hamiltonian reduces from ten to two terms and to a soluble Bohr-like formula, a Kratzer (1 - Re/R)2 potential. The result is similar to the combined action of spin and wave function symmetry upon the Hamiltonian in Heitler-London theory. Analytical perturbed Coulomb functions varying with (1 - Re/R) scale attractive and repulsive branches of PECs for 13 bonds H2, HF, LiH, KH, AuH, Li2, LiF, KLi, NaCs, Rb2, RbCs, Cs2 and I2 in a single straight line. The 400 turning points for 13 bonds are reproduced with a deviation of 0.007 A at both branches. For 230 points at the repulsive side, the deviation is 0.003 A. The perturbed electrostatic Coulomb law is a universal molecular function. Ab initio zero molecular parameter functions give PECs of acceptable quality, just using atomic ionisation energies. The function can be used as a model potential for inverting levels and gives a first principle's comparison of short- and long-range interactions, important for the study of cold atoms. Wave-packet dynamics, femto-chemistry applied to the crossing of covalent and ionic curves, can provide evidence for this theory. We anticipate this scale/shape invariant scheme applies to smaller scales in nuclear and high-energy particle physics. For larger gravitational scales (Newton 1/R potentials), problems with super-unification are discussed. Reactions between hydrogen and antihydrogen, feasible in the near future, will probably produce normal H2.

Extensive degeneracy, Coulomb phase and magnetic monopoles in artificial square ice.

PubMed

Perrin, Yann; Canals, Benjamin; Rougemaille, Nicolas

2016-12-15

Artificial spin-ice systems are lithographically patterned arrangements of interacting magnetic nanostructures that were introduced as way of investigating the effects of geometric frustration in a controlled manner. This approach has enabled unconventional states of matter to be visualized directly in real space, and has triggered research at the frontier between nanomagnetism, statistical thermodynamics and condensed matter physics. Despite efforts to create an artificial realization of the square-ice model-a two-dimensional geometrically frustrated spin-ice system defined on a square lattice-no simple geometry based on arrays of nanomagnets has successfully captured the macroscopically degenerate ground-state manifold of the model. Instead, square lattices of nanomagnets are characterized by a magnetically ordered ground state that consists of local loop configurations with alternating chirality. Here we show that all of the characteristics of the square-ice model are observed in an artificial square-ice system that consists of two sublattices of nanomagnets that are vertically separated by a small distance. The spin configurations we image after demagnetizing our arrays reveal unambiguous signatures of a Coulomb phase and algebraic spin-spin correlations, which are characterized by the presence of 'pinch' points in the associated magnetic structure factor. Local excitations-the classical analogues of magnetic monopoles-are free to evolve in an extensively degenerate, divergence-free vacuum. We thus provide a protocol that could be used to investigate collective magnetic phenomena, including Coulomb phases and the physics of ice-like materials.

Interplay of long-range and short-range Coulomb interactions in an Anderson-Mott insulator

NASA Astrophysics Data System (ADS)

Baćani, Mirko; Novak, Mario; Orbanić, Filip; Prša, Krunoslav; Kokanović, Ivan; Babić, Dinko

2017-07-01

In this paper, we tackle the complexity of coexisting disorder and Coulomb electron-electron interactions (CEEIs) in solids by addressing a strongly disordered system with intricate CEEIs and a screening that changes both with charge carrier doping level Q and temperature T . We report on an experimental comparative study of the T dependencies of the electrical conductivity σ and magnetic susceptibility χ of polyaniline pellets doped with dodecylbenzenesulfonic acid over a wide range. This material is special within the class of doped polyaniline by exhibiting in the electronic transport a crossover between a low-T variable range hopping (VRH) and a high-T nearest-neighbor hopping (NNH) well below room temperature. Moreover, there is evidence of a soft Coulomb gap ΔC in the disorder band, which implies the existence of a long-range CEEI. Simultaneously, there is an onsite CEEI manifested as a Hubbard gap U and originating in the electronic structure of doped polyaniline, which consists of localized electron states with dynamically varying occupancy. Therefore, our samples represent an Anderson-Mott insulator in which long-range and short-range CEEIs coexist. The main result of the study is the presence of a crossover between low- and high-T regimes not only in σ (T ) but also in χ (T ) , the crossover temperature T* being essentially the same for both observables over the entire doping range. The relatively large electron localization length along the polymer chains results in U being small, between 12 and 20 meV for the high and low Q , respectively. Therefore, the thermal energy at T* is sufficiently large to lead to an effective closing of the Hubbard gap and the consequent appearance of NNH in the electronic transport within the disorder band. ΔC is considerably larger than U , decreasing from 190 to 30 meV as Q increases, and plays the role of an activation energy in the NNH.

Parsing partial molar volumes of small molecules: a molecular dynamics study.

PubMed

Patel, Nisha; Dubins, David N; Pomès, Régis; Chalikian, Tigran V

2011-04-28

We used molecular dynamics (MD) simulations in conjunction with the Kirkwood-Buff theory to compute the partial molar volumes for a number of small solutes of various chemical natures. We repeated our computations using modified pair potentials, first, in the absence of the Coulombic term and, second, in the absence of the Coulombic and the attractive Lennard-Jones terms. Comparison of our results with experimental data and the volumetric results of Monte Carlo simulation with hard sphere potentials and scaled particle theory-based computations led us to conclude that, for small solutes, the partial molar volume computed with the Lennard-Jones potential in the absence of the Coulombic term nearly coincides with the cavity volume. On the other hand, MD simulations carried out with the pair interaction potentials containing only the repulsive Lennard-Jones term produce unrealistically large partial molar volumes of solutes that are close to their excluded volumes. Our simulation results are in good agreement with the reported schemes for parsing partial molar volume data on small solutes. In particular, our determined interaction volumes() and the thickness of the thermal volume for individual compounds are in good agreement with empirical estimates. This work is the first computational study that supports and lends credence to the practical algorithms of parsing partial molar volume data that are currently in use for molecular interpretations of volumetric data.

Coulomb replica-exchange method: handling electrostatic attractive and repulsive forces for biomolecules.

PubMed

Itoh, Satoru G; Okumura, Hisashi

2013-03-30

We propose a new type of the Hamiltonian replica-exchange method (REM) for molecular dynamics (MD) and Monte Carlo simulations, which we refer to as the Coulomb REM (CREM). In this method, electrostatic charge parameters in the Coulomb interactions are exchanged among replicas while temperatures are exchanged in the usual REM. By varying the atom charges, the CREM overcomes free-energy barriers and realizes more efficient sampling in the conformational space than the REM. Furthermore, this method requires only a smaller number of replicas because only the atom charges of solute molecules are used as exchanged parameters. We performed Coulomb replica-exchange MD simulations of an alanine dipeptide in explicit water solvent and compared the results with those of the conventional canonical, replica exchange, and van der Waals REMs. Two force fields of AMBER parm99 and AMBER parm99SB were used. As a result, the CREM sampled all local-minimum free-energy states more frequently than the other methods for both force fields. Moreover, the Coulomb, van der Waals, and usual REMs were applied to a fragment of an amyloid-β peptide (Aβ) in explicit water solvent to compare the sampling efficiency of these methods for a larger system. The CREM sampled structures of the Aβ fragment more efficiently than the other methods. We obtained β-helix, α-helix, 3(10)-helix, β-hairpin, and β-sheet structures as stable structures and deduced pathways of conformational transitions among these structures from a free-energy landscape. Copyright © 2012 Wiley Periodicals, Inc.

Effect of Coulomb Collisions on Low Gas Pressure Plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nanbu, K.; Furubayashi, T.

2006-05-05

A recent trend in material processing plasmas is the use of a low gas pressure and high plasma density. In such plasmas, Coulomb collisions among charged particles has been considered to have a significant effect on plasma structure. By use of Bobylev and Nanbu's theory [Phy. Rev. E, 61(2000), 4576], this effect on argon plasmas and oxygen plasmas generated by a capacitive discharge is examined. It is found that the effect is appreciable only for oxygen plasmas.

Effect of coulomb spline on rotor dynamic response

NASA Technical Reports Server (NTRS)

Nataraj, C.; Nelson, H. D.; Arakere, N.

1985-01-01

A rigid rotor system coupled by a coulomb spline is modelled and analyzed by approximate analytical and numerical analytical methods. Expressions are derived for the variables of the resulting limit cycle and are shown to be quite accurate for a small departure from isotropy.

Coulomb Logarithm in Nonideal and Degenerate Plasmas

NASA Astrophysics Data System (ADS)

Filippov, A. V.; Starostin, A. N.; Gryaznov, V. K.

2018-03-01

Various methods for determining the Coulomb logarithm in the kinetic theory of transport and various variants of the choice of the plasma screening constant, taking into account and disregarding the contribution of the ion component and the boundary value of the electron wavevector are considered. The correlation of ions is taken into account using the Ornstein-Zernike integral equation in the hypernetted-chain approximation. It is found that the effect of ion correlation in a nondegenerate plasma is weak, while in a degenerate plasma, this effect must be taken into account when screening is determined by the electron component alone. The calculated values of the electrical conductivity of a hydrogen plasma are compared with the values determined experimentally in the megabar pressure range. It is shown that the values of the Coulomb logarithm can indeed be smaller than unity. Special experiments are proposed for a more exact determination of the Coulomb logarithm in a magnetic field for extremely high pressures, for which electron scattering by ions prevails.

Relativistic and Nuclear Medium Effects on the Coulomb Sum Rule.

PubMed

Cloët, Ian C; Bentz, Wolfgang; Thomas, Anthony W

2016-01-22

In light of the forthcoming high precision quasielastic electron scattering data from Jefferson Lab, it is timely for the various approaches to nuclear structure to make robust predictions for the associated response functions. With this in mind, we focus here on the longitudinal response function and the corresponding Coulomb sum rule for isospin-symmetric nuclear matter at various baryon densities. Using a quantum field-theoretic quark-level approach which preserves the symmetries of quantum chromodynamics, as well as exhibiting dynamical chiral symmetry breaking and quark confinement, we find a dramatic quenching of the Coulomb sum rule for momentum transfers |q|≳0.5  GeV. The main driver of this effect lies in changes to the proton Dirac form factor induced by the nuclear medium. Such a dramatic quenching of the Coulomb sum rule was not seen in a recent quantum Monte Carlo calculation for carbon, suggesting that the Jefferson Lab data may well shed new light on the explicit role of QCD in nuclei.

Effect of Coulomb stress on the Gutenberg-Richter law

NASA Astrophysics Data System (ADS)

Navas-Portella, V.; Corral, A.; Jimenez, A.

2017-12-01

Coulomb stress theory has been used for years in seismology to understand how earthquakes trigger each other. Whenever an earthquake occurs, the stress field changes in its neighbourhood, with places with positive values brought closer to failure, whereas negative values distance away that location from failure. Earthquake models that relate rate changes and Coulomb stress after a main event, such as the rate-and-state model, assume negative and positive stress values affect rate changes according to the same functional form. As a first order approximation, under uniform background seismicity before the main event, different values of the b-exponent in the Gutenberg-Richter law would indicate different behaviour for positive and negative stress. In this work, we study the Gutenberg-Richter law in the aftershock sequence of the Landers earthquake (California, 1992, MW=7.3). By using a statistically based fitting method, we discuss whether the sign of Coulomb stresses and the distance to the fault have a significant effect on the value of the b-exponent.

Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states

NASA Astrophysics Data System (ADS)

Fujimoto, Kazuhiro J.

2012-07-01

A transition-density-fragment interaction (TDFI) combined with a transfer integral (TI) method is proposed. The TDFI method was previously developed for describing electronic Coulomb interaction, which was applied to excitation-energy transfer (EET) [K. J. Fujimoto and S. Hayashi, J. Am. Chem. Soc. 131, 14152 (2009)] and exciton-coupled circular dichroism spectra [K. J. Fujimoto, J. Chem. Phys. 133, 124101 (2010)]. In the present study, the TDFI method is extended to the exchange interaction, and hence it is combined with the TI method for applying to the EET via charge-transfer (CT) states. In this scheme, the overlap correction is also taken into account. To check the TDFI-TI accuracy, several test calculations are performed to an ethylene dimer. As a result, the TDFI-TI method gives a much improved description of the electronic coupling, compared with the previous TDFI method. Based on the successful description of the electronic coupling, the decomposition analysis is also performed with the TDFI-TI method. The present analysis clearly shows a large contribution from the Coulomb interaction in most of the cases, and a significant influence of the CT states at the small separation. In addition, the exchange interaction is found to be small in this system. The present approach is useful for analyzing and understanding the mechanism of EET.

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.

Quasi-particle properties from tunneling in the v = 5/2 fractional quantum Hall state.

PubMed

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.

Effects of Charge-Transfer Excitons on the Photophysics of Organic Semiconductors

NASA Astrophysics Data System (ADS)

Hestand, Nicholas J.

The field of organic electronics has received considerable attention over the past several years due to the promise of novel electronic materials that are cheap, flexible and light weight. While some devices based on organic materials have already emerged on the market (e.g. organic light emitting diodes), a deeper understanding of the excited states within the condensed phase is necessary both to improve current commercial products and to develop new materials for applications that are currently in the commercial pipeline (e.g. organic photovoltaics, wearable displays, and field effect transistors). To this end, a model for pi-conjugated molecular aggregates and crystals is developed and analyzed. The model considers two types of electronic excitations, namely Frenkel and charge-transfer excitons, both of which play a prominent role in determining the nature of the excited states within tightly-packed organic systems. The former consist of an electron-hole pair bound to the same molecule while in the later the electron and hole are located on different molecules. The model also considers the important nuclear reorganization that occurs when the system switches between electronic states. This is achieved using a Holstein-style Hamiltonian that includes linear vibronic coupling of the electronic states to the nuclear motion associated with the high frequency vinyl-stretching and ring-breathing modes. Analysis of the model reveals spectroscopic signatures of charge-transfer mediated J- and H-aggregation in systems where the photophysical properties are determined primarily by charge-transfer interactions. Importantly, such signatures are found to be sensitive to the relative phase of the intermolecular electron and hole transfer integrals, and the relative energy of the Frenkel and charge-transfer states. When the charge-transfer integrals are in phase and the energy of the charge-transfer state is higher than the Frenkel state, the system exhibits J-aggregate characteristics including a positive band curvature, a red shifted main absorption peak, and an increase in the ratio of the first two vibronic peaks relative to the monomer. On the other hand, when the charge-transfer integrals are out of phase and the energy of the charge-transfer state is higher than the Frenkel state, the system exhibits H-aggregate characteristics including a negative band curvature, a blue shifted main absorption peak, and a decrease in the ratio of the first two vibronic peaks relative to the monomer. Notably, these signatures are consistent with those exhibited by Coulombically coupled J- and H-aggregates. Additional signatures of charge-transfer J- and H-aggregation are also discovered, the most notable of which is the appearance of a second absorption band when the charge-transfer integrals are in phase and the charge-transfer and Frenkel excitons are near resonance. In such instances, the peak-to-peak spacing is found to be proportional to the sum of the electron and hole transfer integrals. Further analysis of the charge-transfer interactions within the context of an effective Frenkel exciton coupling reveals that the charge-transfer interactions interfere directly with the intermolecular Coulombic coupling. The interference can be either constructive or destructive resulting in either enhanced or suppressed J- or H- aggregate behavior relative to what is expected based on Coulombic coupling alone. Such interferences result in four new aggregate types, namely HH-, HJ-, JH-, and JJ-aggregates, where the first letter indicates the nature of the Coulombic coupling and the second indicates the nature of the charge-transfer coupling. Vibronic signatures of such aggregates are developed and provide a means by which to rapidly screen materials for certain electronic characteristics. Notably, a large total (Coulombic plus charge-transfer) exciton coupling is associated with an absorption spectrum in which the ratio of the first two vibronic peaks deviates significantly from that of the unaggregated monomer. Hence, strongly coupled, high exciton mobility aggregates can be readily distinguished from low mobility aggregates by the ratio of their first two vibronic peaks. (Abstract shortened by ProQuest.).

Electron capture and excitation processes in H+-H collisions in dense quantum plasmas

NASA Astrophysics Data System (ADS)

Jakimovski, D.; Markovska, N.; Janev, R. K.

2016-10-01

Electron capture and excitation processes in proton-hydrogen atom collisions taking place in dense quantum plasmas are studied by employing the two-centre atomic orbital close-coupling (TC-AOCC) method. The Debye-Hückel cosine (DHC) potential is used to describe the plasma screening effects on the Coulomb interaction between charged particles. The properties of a hydrogen atom with DHC potential are investigated as a function of the screening strength of the potential. It is found that the decrease in binding energy of nl levels with increasing screening strength is considerably faster than in the case of the Debye-Hückel (DH) screening potential, appropriate for description of charged particle interactions in weakly coupled classical plasmas. This results in a reduction in the number of bound states in the DHC potential with respect to that in the DH potential for the same plasma screening strength, and is reflected in the dynamics of excitation and electron capture processes for the two screened potentials. The TC-AOCC cross sections for total and state-selective electron capture and excitation cross sections with the DHC potential are calculated for a number of representative screening strengths in the 1-300 keV energy range and compared with those for the DH and pure Coulomb potential. The total capture cross sections for a selected number of screening strengths are compared with the available results from classical trajectory Monte Carlo calculations.

Fast multipole method using Cartesian tensor in beam dynamic simulation

DOE PAGES

Zhang, He; Huang, He; Li, Rui; ...

2017-03-06

Here, the fast multipole method (FMM) using traceless totally symmetric Cartesian tensor to calculate the Coulomb interaction between charged particles will be presented. The Cartesian tensor-based FMM can be generalized to treat other non-oscillating interactions with the help of the differential algebra or the truncated power series algebra. Issues on implementation of the FMM in beam dynamic simulations are also discussed.

Interaction of two-dimensional magnetoexcitons

NASA Astrophysics Data System (ADS)

Dumanov, E. V.; Podlesny, I. V.; Moskalenko, S. A.; Liberman, M. A.

2017-04-01

We study interaction of the two-dimensional magnetoexcitons with in-plane wave vector k→∥ = 0 , taking into account the influence of the excited Landau levels (ELLs) and of the external electric field perpendicular to the surface of the quantum well and parallel to the external magnetic field. It is shown that the account of the ELLs gives rise to the repulsion between the spinless magnetoexcitons with k→∥ = 0 in the Fock approximation, with the interaction constant g decreasing inverse proportional to the magnetic field strength B (g (0) ∼ 1 / B) . In the presence of the perpendicular electric field the Rashba spin-orbit coupling (RSOC), Zeeman splitting (ZS) and nonparabolicity of the heavy-hole dispersion law affect the Landau quantization of the electrons and holes. They move along the new cyclotron orbits, change their Coulomb interactions and cause the interaction between 2D magnetoexcitons with k→∥ = 0 . The changes of the Coulomb interactions caused by the electrons and by the holes moving with new cyclotron orbits are characterized by some coefficients, which in the absence of the electric field turn to be unity. The differences between these coefficients of the electron-hole pairs forming the magnetoexcitons determine their affinities to the interactions. The interactions between the homogeneous, semihomogeneous and heterogeneous magnetoexcitons forming the symmetric states with the same signs of their affinities are attractive whereas in the case of different sign affinities are repulsive. In the heterogeneous asymmetric states the interactions have opposite signs in comparison with the symmetric states. In all these cases the interaction constant g have the dependence g (0) 1 /√{ B} .

Excitonic Effects in Methylammonium Lead Halide Perovskites.

PubMed

Chen, Xihan; Lu, Haipeng; Yang, Ye; Beard, Matthew C

2018-05-17

The exciton binding energy in methylammonium lead iodide (MAPbI 3 ) is about 10 meV, around 1/3 of the available thermal energy ( k B T ∼ 26 meV) at room temperature. Thus, exciton populations are not stable at room temperature at moderate photoexcited carrier densities. However, excitonic resonances dominate the absorption onset. Furthermore, these resonances determine the transient absorbance and transient reflectance spectra. The exciton binding energy is a reflection of the Coulomb interaction energy between photoexcited electrons and holes. As such, it serves as a marker for the strength of electron/hole interactions and impacts a variety of phenomena, such as, absorption, radiative recombination, and Auger recombination. In this Perspective, we discuss the role of excitons and excitonic resonances in the optical properties of lead-halide perovskite semiconductors. Finally, we discuss how the strong light-matter interactions induce an optical stark effect splitting the doubly spin degenerate ground exciton states and are easily observed at room temperature.

Effect of the intrinsic spin-orbit interaction on the tunnel magnetoresistance in graphenelike nanoflakes

NASA Astrophysics Data System (ADS)

Weymann, Ireneusz; Krompiewski, Stefan

2016-12-01

This paper is devoted to examining the effect of intrinsic spin-orbit interaction on the possible appearance of edge magnetic moments and spin-dependent transport in graphenelike nanoflakes. In the case of finite-size graphenelike nanostructures it is shown that, on one hand, energetically the most advantageous configuration corresponds to magnetic moments located at zigzag edges with the in-plane antiferromagnetic inter-edge coupling. On the other hand, the tunnel magnetoresistance and the shot noise also have thoroughly been tested both for the in-plane configuration as well as for the out-of-plane one (for comparison reasons). Transport properties are described in terms of the mean-field Kane-Mele-Hubbard model with spin mixing correlations, supplemented by additional terms describing external leads, charging energy, and lead-nanostructure tunneling. The results show that Coulomb blockade stability spectra of graphenelike nanoflakes with ferromagnetic contacts provide information on both the intrinsic spin-orbit interaction and the expected edge magnetism.

Many-body effects in nonlinear optical responses of 2D layered semiconductors

DOE PAGES

Aivazian, Grant; Yu, Hongyi; Wu, Sanfeng; ...

2017-01-05

We performed ultrafast degenerate pump-probe spectroscopy on monolayer WSe2 near its exciton resonance. The observed differential reflectance signals exhibit signatures of strong many-body interactions including the exciton-exciton interaction and free carrier induced band gap renormalization. The exciton-exciton interaction results in a resonance blue shift which lasts for the exciton lifetime (several ps), while the band gap renormalization manifests as a resonance red shift with several tens ps lifetime. Our model based on the many-body interactions for the nonlinear optical susceptibility ts well the experimental observations. The power dependence of the spectra shows that with the increase of pump power, themore » exciton population increases linearly and then saturates, while the free carrier density increases superlinearly, implying that exciton Auger recombination could be the origin of these free carriers. Our model demonstrates a simple but efficient method for quantitatively analyzing the spectra, and indicates the important role of Coulomb interactions in nonlinear optical responses of such 2D materials.« less

Many-body effects in nonlinear optical responses of 2D layered semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aivazian, Grant; Yu, Hongyi; Wu, Sanfeng

We performed ultrafast degenerate pump-probe spectroscopy on monolayer WSe2 near its exciton resonance. The observed differential reflectance signals exhibit signatures of strong many-body interactions including the exciton-exciton interaction and free carrier induced band gap renormalization. The exciton-exciton interaction results in a resonance blue shift which lasts for the exciton lifetime (several ps), while the band gap renormalization manifests as a resonance red shift with several tens ps lifetime. Our model based on the many-body interactions for the nonlinear optical susceptibility ts well the experimental observations. The power dependence of the spectra shows that with the increase of pump power, themore » exciton population increases linearly and then saturates, while the free carrier density increases superlinearly, implying that exciton Auger recombination could be the origin of these free carriers. Our model demonstrates a simple but efficient method for quantitatively analyzing the spectra, and indicates the important role of Coulomb interactions in nonlinear optical responses of such 2D materials.« less

SUMMARY OF PROGRESS REPORT ON NUCLEAR PHYSICS , DURING YEARLY PERIOD ENDING IN FEBRUARY 1963

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1963-10-31

Aspects of nucleon-nucleon interactions are being examined. Tests of the mathematical form of the one-pion exchange interaction and of the validity of charge independence were improved. No real negation of the applicability of either the mathematical form of the one-pion exchange potential or of charge independence has been found. Work on p-p and p-n scattering analysis centered on improving the accuracy of data and on rewriting IBM 704 programs for the IBM 709 and 7090. The new programs provide separate treatments of errors in quantities such as differential cross sections and in relative values at the same incident energy. Improvementsmore » in the least squares method of adjustment to data were also made. Difficulties in correcting for the effects of nuclear magnetic moments were examined, and formulas and numbers giving the corrections applicable to the one-pion exchange group were worked out and incorporated in new machine programs. A partial analysis of data for n-p scattering in the 2 to 3 Bev energy region shows the existence of a sharp peak in the angular distribution of recoil protons from elastic collisions. Interpretation of work on the interplay of multipion resonance effects with each other and with the direct pion interaction was begun. Systematization of spin rotation effect and aspects of relativistic effects in the Coulomb interaction in p-p scattering was carried out. Treatment of N-N spin- orbit and central field interactions caused by vector meson exchange was improved. Programming of the IBM 709 for computation of the first order nucleonnucleus optical potential and nucleon-nucleus observables in first Born approximation at forward angles from N-N phase parameters was performed. An IBM 709 program for computing pi -N scattering observables from phase shifts was also written. Investigation of photodisintegration of deuterons involved correcting the formulas used in calculating higher order magnetic multipole effects for some omitted effects and rewriting the 704 programs for the IBM 709. Progress in a scattering matrix approach to deuteron photodisintegration was also made. In theory of nucleon-transfer reactions, systematization of the connection between completely quantum mechanical and semiclassical treatments, including analysis of approximations required in the former to obtain the latter, was attempted. Presence of interference effects between the waves was partially confirmed by experiment. Calculations of third order effects in Coulomb excitation were carried out, and programming for more extensive work was begun. Work on interpretation of heavy ion elastic scattering involved additional calculations of the interaction using nucleonnucleus scattering with some calculations using an ingoing wave boundary condition instead of an optical model treatment of the nuclear interior. Twenty-one papers published or submitted for publication during the period are listed. (D.C.W.)« less

Kinetic theory for strongly coupled Coulomb systems

NASA Astrophysics Data System (ADS)

Dufty, James; Wrighton, Jeffrey

2018-01-01

The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density-functional theory (DFT) that allow a detailed treatment of electron correlations, but its origin is largely phenomenological; traditional kinetic theories have a more secure foundation but are limited to weak ion-electron interactions. The objective here is to show how a combination of the two evolves naturally from the short-time limit for the generator of the effective single-electron dynamics governing time correlation functions without such limitations. This provides a theoretical context for the current DFT-related approach, the Kubo-Greenwood model, while showing the nature of its corrections. The method is to calculate the short-time dynamics in the single-electron subspace for a given configuration of the ions. This differs from the usual kinetic theory approach in which an average over the ions is performed as well. In this way the effective ion-electron interaction includes strong Coulomb coupling and is shown to be determined from DFT. The correlation functions have the form of the random-phase approximation for an inhomogeneous system but with renormalized ion-electron and electron-electron potentials. The dynamic structure function, density response function, and electrical conductivity are calculated as examples. The static local field corrections in the dielectric function are identified in this way. The current analysis is limited to semiclassical electrons (quantum statistical potentials), so important quantum conditions are excluded. However, a quantization of the kinetic theory is identified for broader application while awaiting its detailed derivation.

Coulomb energy differences in isobaric multiplets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lenzi, S. M.; Farnea, E.; Bazzacco, D.

2007-02-12

By comparing the excitation energies of analogue states in isobaric multiplets, several nuclear structure properties can be studied as a function of the angular momentum up to high spin states. In particular, the mirror nuclei 35Ar and 35Cl show large differences between the excitation energies of analogue negative-parity states at high spin, confirming the important contribution of the relativistic electromagnetic spin-orbit interaction to the Coulomb energy. The single-particle character of the configuration of these states is reproduced with very good accuracy by shell model calculations in the sd and pf shells valence space. In addition, evidence of isospin mixing ismore » deduced from the El transitions linking positive and negative parity states.« less

Relativistic Coulomb excitation of 88Kr

NASA Astrophysics Data System (ADS)

Moschner, K.; Blazhev, A.; Jolie, J.; Warr, N.; Boutachkov, P.; Bednarczyk, P.; Sieja, K.; Algora, A.; Ameil, F.; Bentley, M. A.; Brambilla, S.; Braun, N.; Camera, F.; Cederkäll, J.; Corsi, A.; Danchev, M.; DiJulio, D.; Fahlander, C.; Gerl, J.; Giaz, A.; Golubev, P.; Górska, M.; Grebosz, J.; Habermann, T.; Hackstein, M.; Hoischen, R.; Kojouharov, I.; Kurz, N.; Mǎrginean, N.; Merchán, E.; Möller, T.; Naqvi, F.; Nara Singh, B. S.; Nociforo, C.; Pietralla, N.; Pietri, S.; Podolyák, Zs.; Prochazka, A.; Reese, M.; Reiter, P.; Rudigier, M.; Rudolph, D.; Sava, T.; Schaffner, H.; Scruton, L.; Taprogge, J.; Thomas, T.; Weick, H.; Wendt, A.; Wieland, O.; Wollersheim, H.-J.

2016-11-01

To investigate the systematics of mixed-symmetry states in N =52 isotones, a relativistic Coulomb excitation experiment was performed during the PreSPEC campaign at the GSI Helmholtzzentrum für Schwerionenforschung to determine E 2 transition strengths to 2+ states of the radioactive nucleus 88Kr. Absolute transition rates could be measured towards the first and third 2+ states. For the latter a mixed-symmetry character is suggested on the basis of the indication for a strong M 1 transition to the fully symmetric 21+ state, extending the knowledge of the N =52 isotones below Z =40 . A comparison with the proton-neutron interacting boson model and shell-model predictions is made and supports the assignment.

Cotunneling and polaronic effect in granular systems

NASA Astrophysics Data System (ADS)

Ioselevich, A. S.; Sivak, V. V.

2017-06-01

We theoretically study the conductivity in arrays of metallic grains due to the variable-range multiple cotunneling of electrons with short-range (screened) Coulomb interaction. The system is supposed to be coupled to random stray charges in the dielectric matrix that are only loosely bounded to their spatial positions by elastic forces. The flexibility of the stray charges gives rise to a polaronic effect, which leads to the onset of Arrhenius-type conductivity behavior at low temperatures, replacing conventional Mott variable-range hopping. The effective activation energy logarithmically depends on temperature due to fluctuations of the polaron barrier heights. We present the unified theory that covers both weak and strong polaron effect regimes of hopping in granular metals and describes the crossover from elastic to inelastic cotunneling.

Geometrically Induced Interactions and Bifurcations

NASA Astrophysics Data System (ADS)

Binder, Bernd

2010-01-01

In order to evaluate the proper boundary conditions in spin dynamics eventually leading to the emergence of natural and artificial solitons providing for strong interactions and potentials with monopole charges, the paper outlines a new concept referring to a curvature-invariant formalism, where superintegrability is given by a special isometric condition. Instead of referring to the spin operators and Casimir/Euler invariants as the generator of rotations, a curvature-invariant description is introduced utilizing a double Gudermann mapping function (generator of sine Gordon solitons and Mercator projection) cross-relating two angular variables, where geometric phases and rotations arise between surfaces of different curvature. Applying this stereographic projection to a superintegrable Hamiltonian can directly map linear oscillators to Kepler/Coulomb potentials and/or monopoles with Pöschl-Teller potentials and vice versa. In this sense a large scale Kepler/Coulomb (gravitational, electro-magnetic) wave dynamics with a hyperbolic metric could be mapped as a geodesic vertex flow to a local oscillator singularity (Dirac monopole) with spherical metrics and vice versa. Attracting fixed points and dynamic constraints are given by special isometries with magic precession angles. The nonlinear angular encoding directly provides for a Shannon mutual information entropy measure of the geodesic phase space flow. The emerging monopole patterns show relations to spiral Fresnel holography and Berry/Aharonov-Bohm geometric phases subject to bifurcation instabilities and singularities from phase ambiguities due to a local (entropy) overload. Neutral solitons and virtual patterns emerging and mediating in the overlap region between charged or twisted holographic patterns are visualized and directly assigned to the Berry geometric phase revealing the role of photons, neutrons, and neutrinos binding repulsive charges in Coulomb, strong and weak interaction.

Quantified Gamow shell model interaction for p s d -shell nuclei

NASA Astrophysics Data System (ADS)

Jaganathen, Y.; Betan, R. M. Id; Michel, N.; Nazarewicz, W.; Płoszajczak, M.

2017-11-01

Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In this study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the p s d f -shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤A ≲12 at the p -s d -shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon-4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A =9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation densities and excitation spectra of light nuclei with quantified uncertainties. Conclusion: The new interaction will enable comprehensive and fully quantified studies of structure and reactions aspects of nuclei from the p s d region of the nuclear chart.

Quantified Gamow shell model interaction for p s d -shell nuclei

DOE PAGES

Jaganathen, Y.; Betan, R. M. Id; Michel, N.; ...

2017-11-20

Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In thismore » study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the psdf-shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤ A ≲ 12 at the p-sd-shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ 2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon- 4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A = 9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation densities and excitation spectra of light nuclei with quantified uncertainties. In conclusion: The new interaction will enable comprehensive and fully quantified studies of structure and reactions aspects of nuclei from the psd region of the nuclear chart.« less

PolyA Single Strand DNA Translocation Through an Alpha-Hemolysin Pore Stem

NASA Technical Reports Server (NTRS)

OKeeffe, James; Cozmuta, Ioana; Stolc, Viktor

2003-01-01

A new model for the polymer-pore interaction energy is introduced, based on an atomic-scale description of coulombic polymer-pore interaction. The enhanced drift velocity, experimentally observed for short polymers, is successfully accounted for, using this interaction energy model. For R/R(sub 0)>4 (R(sub 0)=7 angstroms) the translocation velocity approaches the free space drift velocity v(sub 0). This motivates the need to appropriately derivatize artificial nanopores, where R>R(sub 0).

COLLABORATIVE RESEARCH AND DEVELOPMENT (CR&D) Delivery Order 0034: Aircraft Coatings Modeling and Simulation

DTIC Science & Technology

2008-03-01

bonded potentials used. The interactions between the beads were described using 6-12 Lennard - Jones (LJ) potential (Equation (1)) with a 2.5 d cutoff...in Lennard - Jones potential for the non-bonded interactions is at 1.12 d in line with the second peak. The remainder of the g(r)chain-chain has...Simulator). 40 Lennard - Jones and Coulombic interactions for pairs of organic atoms were computed using a switching function with inner and outer cutoffs of