Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics

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

Zhang, Yu, E-mail: zhy@yangtze.hku.hk; Chen, GuanHua, E-mail: ghc@everest.hku.hk; Yam, ChiYung

2015-04-28

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can bemore » suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.« less

Model of quantum kinetics of spin-orbit coupled two-dimensional electron gas in the presence of strong electromagnetic field

NASA Astrophysics Data System (ADS)

Turkin, Yaroslav V.; Kuptsov, Pavel V.

2018-04-01

A quantum model of spin dynamics of spin-orbit coupled two-dimensional electron gas in the presence of strong high- frequency electromagnetic field is suggested. Interaction of electrons with optical phonons is taken into account in the second order of perturbation theory.

Relativistic electron motion in cylindrical waveguide with strong guiding magnetic field and high power microwave

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

Wu, Ping; Science and Technology on High Power Microwave Laboratory, Northwest Institute of Nuclear Technology, Xi'an 710024; Sun, Jun

2015-06-15

In O-type high power microwave (HPM) devices, the annular relativistic electron beam is constrained by a strong guiding magnetic field and propagates through an interaction region to generate HPM. Some papers believe that the E × B drift of electrons may lead to beam breakup. This paper simplifies the interaction region with a smooth cylindrical waveguide to research the radial motion of electrons under conditions of strong guiding magnetic field and TM{sub 01} mode HPM. The single-particle trajectory shows that the radial electron motion presents the characteristic of radial guiding-center drift carrying cyclotron motion. The radial guiding-center drift is spatiallymore » periodic and is dominated by the polarization drift, not the E × B drift. Furthermore, the self fields of the beam space charge can provide a radial force which may pull electrons outward to some extent but will not affect the radial polarization drift. Despite the radial drift, the strong guiding magnetic field limits the drift amplitude to a small value and prevents beam breakup from happening due to this cause.« less

Strong electronic interaction and multiple quantum Hall ferromagnetic phases in trilayer graphene

NASA Astrophysics Data System (ADS)

Datta, Biswajit; Dey, Santanu; Samanta, Abhisek; Borah, Abhinandan; Agarwal, Hitesh; Watanabe, Kenji; Taniguchi, Takashi; Sensarma, Rajdeep; Deshmukh, Mandar

There is an increasing interest in the electronic properties of few layer graphene as it offers a platform to study electronic interactions because the dispersion of bands can be tuned with number and stacking of layers in combination with electric field. Here, we report evidence of strong electronic interactions and quantum Hall ferromagnetism (QHF) seen in a dual gated ABA trilayer graphene sample. Due to high mobility (500,000 cm2V-1s-1) in our device compared to previous studies, we find all symmetry broken states including ν = 0 filling factor at relatively low magnetic field (6T). Activation measurements show that Landau Level (LL) gaps are enhanced by interactions. Moreover, we observe hysteresis as a function of filling factor and spikes in the longitudinal resistance which, together, signal the formation of QHF states at low magnetic field.

Coulomb versus spin-orbit interaction in few-electron carbon-nanotube quantum dots

NASA Astrophysics Data System (ADS)

Secchi, Andrea; Rontani, Massimo

2009-07-01

Few-electron states in carbon-nanotube quantum dots are studied by means of the configuration-interaction method. The peculiar noninteracting feature of the tunneling spectrum for two electrons, recently measured by F. Kuemmeth, S. Ilani, D. C. Ralph, and P. L. McEuen [Nature (London) 452, 448 (2008)], is explained by the splitting of a low-lying isospin multiplet due to spin-orbit interaction. Nevertheless, the strongly interacting ground state forms a “Wigner molecule” made of electrons localized in space. Signatures of the electron molecule may be seen in tunneling spectra by varying the tunable dot confinement potential.

Concepts relating magnetic interactions, intertwined electronic orders, and strongly correlated superconductivity

PubMed Central

Davis, J. C. Séamus; Lee, Dung-Hai

2013-01-01

Unconventional superconductivity (SC) is said to occur when Cooper pair formation is dominated by repulsive electron–electron interactions, so that the symmetry of the pair wave function is other than an isotropic s-wave. The strong, on-site, repulsive electron–electron interactions that are the proximate cause of such SC are more typically drivers of commensurate magnetism. Indeed, it is the suppression of commensurate antiferromagnetism (AF) that usually allows this type of unconventional superconductivity to emerge. Importantly, however, intervening between these AF and SC phases, intertwined electronic ordered phases (IP) of an unexpected nature are frequently discovered. For this reason, it has been extremely difficult to distinguish the microscopic essence of the correlated superconductivity from the often spectacular phenomenology of the IPs. Here we introduce a model conceptual framework within which to understand the relationship between AF electron–electron interactions, IPs, and correlated SC. We demonstrate its effectiveness in simultaneously explaining the consequences of AF interactions for the copper-based, iron-based, and heavy-fermion superconductors, as well as for their quite distinct IPs. PMID:24114268

Universal charge relaxation resistance and electrochemical capacitance suppression in an interacting coherent capacitor

NASA Astrophysics Data System (ADS)

Liu, Wei; Guo, Huazhong; He, Jianhong; Gao, Jie

2018-05-01

We have measured the dynamic admittance of an interacting coherent capacitor in the quantum Hall regime. Our experiments demonstrate that, in the fully coherent regime, the charge relaxation resistance is universal and independent of the transmission even in the presence of strong charge interactions. Conversely, we observe strong suppression of the electrochemical capacitance, which is related to the density of states of the charge excitations due to strong interactions. Our experiments form the building blocks for the realization of electron quantum optics experiments with strong charge interactions, and they should prove useful for quantum bits in interacting ballistic conductors.

Control of Electron Flow Direction in Photoexcited Cycloplatinated Complex Containing Conjugated Polymer-Single Walled Carbon Nanotube Hybrids.

PubMed

Xiong, Wenjuan; Du, Lili; Lo, Kin Cheung; Shi, Haiting; Takaya, Tomohisa; Iwata, Koichi; Chan, Wai Kin; Phillips, David Lee

2018-06-25

Conjugated polymers incorporated with cycloplatinated complexes (P1-Pt and P2-Pt) were used as dispersants for single walled carbon nanotubes (SWCNTs). Significant changes in the UV-vis absorption spectra were observed after the formation of the polymer/SWCNT hybrids. Molecular dynamics (MD) simulations revealed the presence of a strong interaction between the cycloplatinated complex moieties and the SWCNT surface. The photoinduced electron transfer processes in these hybrids were strongly dependent on the type of the comonomer unit. Upon photoexcitation, the excited P1-Pt donates electrons to the SWCNT, while P2-Pt accepts electrons from the photoexcited SWCNT. These observations were supported by results from Raman and femtosecond time-resolved transient absorption spectroscopy experiments. The strong electronic interaction between the Pt complexes and the SWCNT gives rise to a new hybrid system that has a controllable photo-induced electron transfer flow, which are important in regulating the charge transport processes SWCNT-based optoelectronic devices.

Algorithmic implementation of particle-particle ladder diagram approximation to study strongly-correlated metals and semiconductors

NASA Astrophysics Data System (ADS)

Prayogi, A.; Majidi, M. A.

2017-07-01

In condensed-matter physics, strongly-correlated systems refer to materials that exhibit variety of fascinating properties and ordered phases, depending on temperature, doping, and other factors. Such unique properties most notably arise due to strong electron-electron interactions, and in some cases due to interactions involving other quasiparticles as well. Electronic correlation effects are non-trivial that one may need a sufficiently accurate approximation technique with quite heavy computation, such as Quantum Monte-Carlo, in order to capture particular material properties arising from such effects. Meanwhile, less accurate techniques may come with lower numerical cost, but the ability to capture particular properties may highly depend on the choice of approximation. Among the many-body techniques derivable from Feynman diagrams, we aim to formulate algorithmic implementation of the Ladder Diagram approximation to capture the effects of electron-electron interactions. We wish to investigate how these correlation effects influence the temperature-dependent properties of strongly-correlated metals and semiconductors. As we are interested to study the temperature-dependent properties of the system, the Ladder diagram method needs to be applied in Matsubara frequency domain to obtain the self-consistent self-energy. However, at the end we would also need to compute the dynamical properties like density of states (DOS) and optical conductivity that are defined in the real frequency domain. For this purpose, we need to perform the analytic continuation procedure. At the end of this study, we will test the technique by observing the occurrence of metal-insulator transition in strongly-correlated metals, and renormalization of the band gap in strongly-correlated semiconductors.

Effect of solute atoms on dislocation motion in Mg: An electronic structure perspective

PubMed Central

Tsuru, T.; Chrzan, D. C.

2015-01-01

Solution strengthening is a well-known approach to tailoring the mechanical properties of structural alloys. Ultimately, the properties of the dislocation/solute interaction are rooted in the electronic structure of the alloy. Accordingly, we compute the electronic structure associated with, and the energy barriers to dislocation cross-slip. The energy barriers so obtained can be used in the development of multiscale models for dislocation mediated plasticity. The computed electronic structure can be used to identify substitutional solutes likely to interact strongly with the dislocation. Using the example of a-type screw dislocations in Mg, we compute accurately the Peierls barrier to prismatic plane slip and argue that Y, Ca, Ti, and Zr should interact strongly with the studied dislocation, and thereby decrease the dislocation slip anisotropy in the alloy. PMID:25740411

Current correlations for the transport of interacting electrons through parallel quantum dots in a photon cavity

NASA Astrophysics Data System (ADS)

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

2018-06-01

We calculate the current correlations for the steady-state electron transport through multi-level parallel quantum dots embedded in a short quantum wire, that is placed in a non-perfect photon cavity. We account for the electron-electron Coulomb interaction, and the para- and diamagnetic electron-photon interactions with a stepwise scheme of configuration interactions and truncation of the many-body Fock spaces. In the spectral density of the temporal current-current correlations we identify all the transitions, radiative and non-radiative, active in the system in order to maintain the steady state. We observe strong signs of two types of Rabi oscillations.

Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions

NASA Astrophysics Data System (ADS)

Seth, Priyanka; Hansmann, Philipp; van Roekeghem, Ambroise; Vaugier, Loig; Biermann, Silke

2017-08-01

The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose and benchmark a scheme for determining the effective local Coulomb interactions for charge-transfer oxides and related compounds. Intershell interactions between electrons in the correlated shell and ligand orbitals are taken into account in an effective manner, leading to a reduction of the effective local interactions on the correlated shell. Our scheme resolves inconsistencies in the determination of effective interactions as obtained by standard methods for a wide range of materials, and allows for a conceptual understanding of the relation of cluster model and dynamical mean field-based electronic structure calculations.

Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions.

PubMed

Seth, Priyanka; Hansmann, Philipp; van Roekeghem, Ambroise; Vaugier, Loig; Biermann, Silke

2017-08-04

The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose and benchmark a scheme for determining the effective local Coulomb interactions for charge-transfer oxides and related compounds. Intershell interactions between electrons in the correlated shell and ligand orbitals are taken into account in an effective manner, leading to a reduction of the effective local interactions on the correlated shell. Our scheme resolves inconsistencies in the determination of effective interactions as obtained by standard methods for a wide range of materials, and allows for a conceptual understanding of the relation of cluster model and dynamical mean field-based electronic structure calculations.

Impact excitation and electron-hole multiplication in graphene and carbon nanotubes.

PubMed

Gabor, Nathaniel M

2013-06-18

In semiconductor photovoltaics, photoconversion efficiency is governed by a simple competition: the incident photon energy is either transferred to the crystal lattice (heat) or transferred to electrons. In conventional materials, energy loss to the lattice is more efficient than energy transferred to electrons, thus limiting the power conversion efficiency. Quantum electronic systems, such as quantum dots, nanowires, and two-dimensional electronic membranes, promise to tip the balance in this competition by simultaneously limiting energy transfer to the lattice and enhancing energy transfer to electrons. By exploring the optical, thermal, and electronic properties of quantum materials, we may perhaps find an ideal optoelectronic material that provides low cost fabrication, facile systems integration, and a means to surpass the standard limit for photoconversion efficiency. Nanoscale carbon materials, such as graphene and carbon nanotubes, provide ideal experimental quantum systems in which to explore optoelectronic behavior for applications in solar energy harvesting. Within essentially the same material, researchers can achieve a broad spectrum of energetic configurations, from a gapless semimetal to a large band-gap semiconducting nanowire. Owing to their nanoscale dimensions, graphene and carbon nanotubes exhibit electronic and optical properties that reflect strong electron-electron interactions. Such strong interactions may lead to exotic low-energy electron transport behavior and high-energy electron scattering processes such as impact excitation and the inverse process of Auger recombination. High-energy processes, which become very important under photoexcitation, may be particularly efficient in nanoscale carbon materials due to the relativistic-like, charged particle band structure and sensitivity to the dielectric environment. In addition, due to the covalently bonded carbon framework that makes up these materials, electron-phonon coupling is very weak. In carbon nanomaterials, strong electron-electron interactions combined with weak electron-phonon interactions results in excellent optical, thermal and electronic properties, the exploration of which promises to reveal fundamentally new physical processes and deliver advanced nanotechnologies. In this Account, we review the results of novel optoelectronic experiments that explore the intrinsic photoresponse of carbon nanomaterials integrated into nanoscale devices. By fabricating gate voltage-controlled photodetectors composed of atomically thin sheets of graphene and individual carbon nanotubes, we are able to fully explore electron transport in these systems under optical illumination. We find that strong electron-electron interactions play a key role in the intrinsic photoresponse of both materials, as evidenced by hot carrier transport in graphene and highly efficient multiple electron-hole pair generation in nanotubes. In both of these quantum systems, photoexcitation leads to high-energy electron-hole pairs that relax energy predominantly into the electronic system, rather than heating the lattice. Due to highly efficient energy transfer from photons into electrons, graphene and carbon nanotubes may be ideal materials for solar energy harvesting devices with efficiencies that could exceed the Shockley-Queisser limit.

Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer

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

Säkkinen, Niko; Leeuwen, Robert van; Peng, Yang

2015-12-21

We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is stronglymore » correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction.« less

Spin and orbital exchange interactions from Dynamical Mean Field Theory

NASA Astrophysics Data System (ADS)

Secchi, A.; Lichtenstein, A. I.; Katsnelson, M. I.

2016-02-01

We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping between the initial electronic system and a spin model including up to quadratic interactions between the effective spins, with a general interaction (exchange) tensor that accounts for anisotropic exchange, Dzyaloshinskii-Moriya interaction and other symmetric terms such as dipole-dipole interaction. We present the formulas in a format that can be used for computations via Dynamical Mean Field Theory algorithms.

Ambipolar Landau levels and strong band-selective carrier interactions in monolayer WSe2

NASA Astrophysics Data System (ADS)

Gustafsson, Martin V.; Yankowitz, Matthew; Forsythe, Carlos; Rhodes, Daniel; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Zhu, Xiaoyang; Dean, Cory R.

2018-05-01

Monolayers (MLs) of transition-metal dichalcogenides (TMDs) exhibit unusual electrical behaviour under magnetic fields due to their intrinsic spin-orbit coupling and lack of inversion symmetry1-15. Although recent experiments have also identified the critical role of carrier interactions within these materials11,15, a complete mapping of the ambipolar Landau level (LL) sequence has remained elusive. Here we use single-electron transistors (SETs)16,17 to perform LL spectroscopy in ML WSe2, and provide a comprehensive picture of the electronic structure of a ML TMD for both electrons and holes. We find that the LLs differ notably between the two bands, and follow a unique sequence in the valence band (VB) that is dominated by strong Zeeman effects. The Zeeman splitting in the VB is several times higher than the cyclotron energy, far exceeding the predictions of a single-particle model and, moreover, tunes significantly with doping15. This implies exceptionally strong many-body interactions, and suggests that ML WSe2 can serve as a host for new correlated-electron phenomena.

Colloquium: Strong-field phenomena in periodic systems

NASA Astrophysics Data System (ADS)

Kruchinin, Stanislav Yu.; Krausz, Ferenc; Yakovlev, Vladislav S.

2018-04-01

The advent of visible-infrared laser pulses carrying a substantial fraction of their energy in a single field oscillation cycle has opened a new era in the experimental investigation of ultrafast processes in semiconductors and dielectrics (bulk as well as nanostructured), motivated by the quest for the ultimate frontiers of electron-based signal metrology and processing. Exploring ways to approach those frontiers requires insight into the physics underlying the interaction of strong high-frequency (optical) fields with electrons moving in periodic potentials. This Colloquium aims at providing this insight. Introduction to the foundations of strong-field phenomena defines and compares regimes of field-matter interaction in periodic systems, including (perfect) crystals as well as optical and semiconductor superlattices, followed by a review of recent experimental advances in the study of strong-field dynamics in crystals and nanostructures. Avenues toward measuring and controlling electronic processes up to petahertz frequencies are discussed.

Strong Quantum Coherence between Fermi Liquid Mahan Excitons

NASA Astrophysics Data System (ADS)

Paul, J.; Stevens, C. E.; Liu, C.; Dey, P.; McIntyre, C.; Turkowski, V.; Reno, J. L.; Hilton, D. J.; Karaiskaj, D.

2016-04-01

In modulation doped quantum wells, the excitons are formed as a result of the interactions of the charged holes with the electrons at the Fermi edge in the conduction band, leading to the so-called "Mahan excitons." The binding energy of Mahan excitons is expected to be greatly reduced and any quantum coherence destroyed as a result of the screening and electron-electron interactions. Surprisingly, we observe strong quantum coherence between the heavy hole and light hole excitons. Such correlations are revealed by the dominating cross-diagonal peaks in both one-quantum and two-quantum two-dimensional Fourier transform spectra. Theoretical simulations based on the optical Bloch equations where many-body effects are included phenomenologically reproduce well the experimental spectra. Time-dependent density functional theory calculations provide insight into the underlying physics and attribute the observed strong quantum coherence to a significantly reduced screening length and collective excitations of the many-electron system.

Strong Quantum Coherence between Fermi Liquid Mahan Excitons.

PubMed

Paul, J; Stevens, C E; Liu, C; Dey, P; McIntyre, C; Turkowski, V; Reno, J L; Hilton, D J; Karaiskaj, D

2016-04-15

In modulation doped quantum wells, the excitons are formed as a result of the interactions of the charged holes with the electrons at the Fermi edge in the conduction band, leading to the so-called "Mahan excitons." The binding energy of Mahan excitons is expected to be greatly reduced and any quantum coherence destroyed as a result of the screening and electron-electron interactions. Surprisingly, we observe strong quantum coherence between the heavy hole and light hole excitons. Such correlations are revealed by the dominating cross-diagonal peaks in both one-quantum and two-quantum two-dimensional Fourier transform spectra. Theoretical simulations based on the optical Bloch equations where many-body effects are included phenomenologically reproduce well the experimental spectra. Time-dependent density functional theory calculations provide insight into the underlying physics and attribute the observed strong quantum coherence to a significantly reduced screening length and collective excitations of the many-electron system.

Proceedings of the 24. SLAC summer institute on particle physics: The strong interaction, from hadrons to partons

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

Chan, J.; DePorcel, L.; Dixon, L.

1997-06-01

This conference explored the role of the strong interaction in the physics of hadrons and partons. The Institute attracted 239 physicists from 16 countries to hear lectures on the underlying theory of Quantum Chromodynamics, modern theoretical calculational techniques, and experimental investigation of the strong interaction as it appears in various phenomena. Different regimes in which one can calculate reliably in QCD were addressed in series of lectures on perturbation theory, lattice gauge theories, and heavy quark expansions. Studies of QCD in hadron-hadron collisions, electron-positron annihilation, and electron-proton collisions all give differing perspectives on the strong interaction--from low-x to high-Q{sup 2}.more » Experimental understanding of the production and decay of heavy quarks as well as the lighter meson states has continued to evolve over the past years, and these topics were also covered at the School. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.« less

Interlayer electron-phonon coupling in WSe2/hBN heterostructures

NASA Astrophysics Data System (ADS)

Jin, Chenhao; Kim, Jonghwan; Suh, Joonki; Shi, Zhiwen; Chen, Bin; Fan, Xi; Kam, Matthew; Watanabe, Kenji; Taniguchi, Takashi; Tongay, Sefaattin; Zettl, Alex; Wu, Junqiao; Wang, Feng

2017-02-01

Engineering layer-layer interactions provides a powerful way to realize novel and designable quantum phenomena in van der Waals heterostructures. Interlayer electron-electron interactions, for example, have enabled fascinating physics that is difficult to achieve in a single material, such as the Hofstadter's butterfly in graphene/boron nitride (hBN) heterostructures. In addition to electron-electron interactions, interlayer electron-phonon interactions allow for further control of the physical properties of van der Waals heterostructures. Here we report an interlayer electron-phonon interaction in WSe2/hBN heterostructures, where optically silent hBN phonons emerge in Raman spectra with strong intensities through resonant coupling to WSe2 electronic transitions. Excitation spectroscopy reveals the double-resonance nature of such enhancement, and identifies the two resonant states to be the A exciton transition of monolayer WSe2 and a new hybrid state present only in WSe2/hBN heterostructures. The observation of an interlayer electron-phonon interaction could open up new ways to engineer electrons and phonons for device applications.

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

Jana, R. N.; Meikap, A. K.

The results of a comprehensive study of weak electron localization (WEL) and electron-electron interaction (EEI) effects in disordered V{sub 75}X{sub 25} (X = Pd, Al) alloys has been reported. The resistivity in absence of magnetic field shows a minimum at temperature T = T{sub m} and follows T{sup 1/2} law within the temperature range 5 K ≤ T ≤ T{sub m}, which suggests predominant EEI effect. Magnetoresistivity is positive due to strong spin-orbit interaction. The dephasing scattering time is dominated by the electron-phonon scattering. The electron-phonon scattering rate shows quadratic temperature dependence behavior, which is explained by the theory ofmore » incomplete dragging at the random scattering potential by phonons. The zero temperature scattering time strongly depends on the disorder and its magnitude decreases with increasing disorder.« less

Effect of electron spin-spin interaction on level crossings and spin flips in a spin-triplet system

NASA Astrophysics Data System (ADS)

Jia, Wei; Hu, Fang-Qi; Wu, Ning; Zhao, Qing

2017-12-01

We study level crossings and spin flips in a system consisting of a spin-1 (an electron spin triplet) coupled to a nuclear spin of arbitrary size K , in the presence of a uniform magnetic field and the electron spin-spin interaction within the triplet. Through an analytical diagonalization based on the SU (3 ) Lie algebra, we find that the electron spin-spin interaction not only removes the curious degeneracy which appears in the absence of the interaction, but also produces some level anticrossings (LACs) for strong interactions. The real-time dynamics of the system shows that periodic spin flips occur at the LACs for arbitrary K , which might provide an option for nuclear or electron spin polarization.

Reprint of : Scattering theory approach to bosonization of non-equilibrium mesoscopic systems

NASA Astrophysics Data System (ADS)

Sukhorukov, Eugene V.

2016-08-01

Between many prominent contributions of Markus Büttiker to mesoscopic physics, the scattering theory approach to the electron transport and noise stands out for its elegance, simplicity, universality, and popularity between theorists working in this field. It offers an efficient way to theoretically investigate open electron systems far from equilibrium. However, this method is limited to situations where interactions between electrons can be ignored, or considered perturbatively. Fortunately, this is the case in a broad class of metallic systems, which are commonly described by the Fermi liquid theory. Yet, there exist another broad class of electron systems of reduced dimensionality, the so-called Tomonaga-Luttinger liquids, where interactions are effectively strong and cannot be neglected even at low energies. Nevertheless, strong interactions can be accounted exactly using the bosonization technique, which utilizes the free-bosonic character of collective excitations in these systems. In the present work, we use this fact in order to develop the scattering theory approach to the bosonization of open quasi-one dimensional electron systems far from equilibrium.

Scattering theory approach to bosonization of non-equilibrium mesoscopic systems

NASA Astrophysics Data System (ADS)

Sukhorukov, Eugene V.

2016-03-01

Between many prominent contributions of Markus Büttiker to mesoscopic physics, the scattering theory approach to the electron transport and noise stands out for its elegance, simplicity, universality, and popularity between theorists working in this field. It offers an efficient way to theoretically investigate open electron systems far from equilibrium. However, this method is limited to situations where interactions between electrons can be ignored, or considered perturbatively. Fortunately, this is the case in a broad class of metallic systems, which are commonly described by the Fermi liquid theory. Yet, there exist another broad class of electron systems of reduced dimensionality, the so-called Tomonaga-Luttinger liquids, where interactions are effectively strong and cannot be neglected even at low energies. Nevertheless, strong interactions can be accounted exactly using the bosonization technique, which utilizes the free-bosonic character of collective excitations in these systems. In the present work, we use this fact in order to develop the scattering theory approach to the bosonization of open quasi-one dimensional electron systems far from equilibrium.

Universal interaction-driven gap in metallic carbon nanotubes

NASA Astrophysics Data System (ADS)

Senger, Mitchell J.; McCulley, Daniel R.; Lotfizadeh, Neda; Deshpande, Vikram V.; Minot, Ethan D.

2018-02-01

Suspended metallic carbon nanotubes (m-CNTs) exhibit a remarkably large transport gap that can exceed 100 meV. Both experiment and theory suggest that strong electron-electron interactions play a crucial role in generating this electronic structure. To further understand this strongly interacting system, we have performed electronic measurements of suspended m-CNTs with known diameter and chiral angle. Spectrally resolved photocurrent microscopy was used to determine m-CNT structure. The room-temperature electrical characteristics of 18 individually contacted m-CNTs were compared to their respective diameter and chiral angle. At the charge neutrality point, we observe a peak in m-CNT resistance that scales exponentially with inverse diameter. Using a thermally activated transport model, we estimate that the transport gap is (450 meV nm)/D , where D is CNT diameter. We find no correlation between the gap and the CNT chiral angle. Our results add important constraints to theories attempting to describe the electronic structure of m-CNTs.

Revealing the synergetic effects in Ni nanoparticle-carbon nanotube hybrids by scanning transmission X-ray microscopy and their application in the hydrolysis of ammonia borane

NASA Astrophysics Data System (ADS)

Zhao, Guanqi; Zhong, Jun; Wang, Jian; Sham, Tsun-Kong; Sun, Xuhui; Lee, Shuit-Tong

2015-05-01

The hybrids of carbon nanotubes (CNTs) and the supported Ni nanoparticles (NPs) have been studied by scanning transmission X-ray microscopy (STXM) and tested by the hydrolysis reaction of ammonia borane (AB, NH3BH3). Data clearly showed the existence of a strong interaction between Ni NPs and thin CNTs (C-O-Ni bonds), which favored the tunable (buffer) electronic structure of Ni NPs facilitating the catalytic process. The hydrolysis process of AB confirmed the hypothesis that the hybrids with a strong interfacial interaction would show superior catalytic performance, while the hybrids with a weak interfacial interaction show poor performance. Our results provide a wealth of detailed information regarding the electronic structure of the NP-CNT hybrids and provide guidance towards the rational design of high-performance catalysts for energy applications.The hybrids of carbon nanotubes (CNTs) and the supported Ni nanoparticles (NPs) have been studied by scanning transmission X-ray microscopy (STXM) and tested by the hydrolysis reaction of ammonia borane (AB, NH3BH3). Data clearly showed the existence of a strong interaction between Ni NPs and thin CNTs (C-O-Ni bonds), which favored the tunable (buffer) electronic structure of Ni NPs facilitating the catalytic process. The hydrolysis process of AB confirmed the hypothesis that the hybrids with a strong interfacial interaction would show superior catalytic performance, while the hybrids with a weak interfacial interaction show poor performance. Our results provide a wealth of detailed information regarding the electronic structure of the NP-CNT hybrids and provide guidance towards the rational design of high-performance catalysts for energy applications. Electronic supplementary information (ESI) available: Magnified TEM images, high resolution TEM images and the particle size distributions of the samples, the STXM results of a thick tube at different positions, XPS results, stability test. See DOI: 10.1039/c5nr01168j

Observation of the fractional quantum Hall effect in graphene.

PubMed

Bolotin, Kirill I; Ghahari, Fereshte; Shulman, Michael D; Stormer, Horst L; Kim, Philip

2009-11-12

When electrons are confined in two dimensions and subject to strong magnetic fields, the Coulomb interactions between them can become very strong, leading to the formation of correlated states of matter, such as the fractional quantum Hall liquid. In this strong quantum regime, electrons and magnetic flux quanta bind to form complex composite quasiparticles with fractional electronic charge; these are manifest in transport measurements of the Hall conductivity as rational fractions of the elementary conductance quantum. The experimental discovery of an anomalous integer quantum Hall effect in graphene has enabled the study of a correlated two-dimensional electronic system, in which the interacting electrons behave like massless chiral fermions. However, owing to the prevailing disorder, graphene has so far exhibited only weak signatures of correlated electron phenomena, despite intense experimental and theoretical efforts. Here we report the observation of the fractional quantum Hall effect in ultraclean, suspended graphene. In addition, we show that at low carrier density graphene becomes an insulator with a magnetic-field-tunable energy gap. These newly discovered quantum states offer the opportunity to study correlated Dirac fermions in graphene in the presence of large magnetic fields.

Velocity renormalization in graphene: The role of trigonal warping and electron-phonon coupling effects

NASA Astrophysics Data System (ADS)

Kandemir, B. S.; Gökçek, N.

2017-12-01

We investigate the combined effects of trigonal warping and electron-phonon interactions on the renormalization of the Fermi velocity in graphene. We present an analytical solution to the associated Fröhlich Hamiltonian describing the interaction of doubly degenerate-optical phonon modes of graphene with electrons in the presence of trigonal warp within the framework of Lee-Low-Pines theory. On the basis of our model, it is analytically shown that in addition to its renormalization, Fermi velocity exhibits strong anisotropy due to the trigonal warping. It is also found that in the regime where the trigonal warp starts, distortion of energy bands emerges due to electron-phonon coupling, and the bands exhibit strong anisotropy.

Electron-phonon coupling and superconductivity in the (4/3)-monolayer of Pb on Si(111): Role of spin-orbit interaction

NASA Astrophysics Data System (ADS)

Sklyadneva, I. Yu.; Heid, R.; Bohnen, K.-P.; Echenique, P. M.; Chulkov, E. V.

2018-05-01

The effect of spin-orbit coupling on the electron-phonon interaction in a (4/3)-monolayer of Pb on Si(111) is investigated within the density-functional theory and linear-response approach in the mixed-basis pseudopotential representation. We show that the spin-orbit interaction produces a large weakening of the electron-phonon coupling strength, which appears to be strongly overestimated in the scalar relativistic calculations. The effect of spin-orbit interaction is largely determined by the induced modification of Pb electronic bands and a stiffening of the low-energy part of phonon spectrum, which favor a weakening of the electron-phonon coupling strength. The state-dependent strength of the electron-phonon interaction in occupied Pb electronic bands varies depending on binding energy rather than electronic momentum. It is markedly larger than the value averaged over electron momentum because substrate electronic bands make a small contribution to the phonon-mediated scattering and agrees well with the experimental data.

Localization of holes near charged defects in orbitally degenerate, doped Mott insulators

NASA Astrophysics Data System (ADS)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-05-01

We study the role of charged defects, disorder and electron-electron (e-e) interactions in a multiband model for t2g electrons in vanadium perovskites R1-xCaxVO3 (R = La,…,Y). By means of unrestricted Hartree-Fock calculations, we find that the atomic multiplet structure persists up to 50% Ca doping. Using the inverse participation number, we explore the degree of localization and its doping dependence for all electronic states. The observation of strongly localized wave functions is consistent with our conjecture that doped holes form spin-orbital polarons that are strongly bound to the charged Ca2+ defects. Interestingly, the long-range e-e interactions lead to a discontinuity in the wave function size across the chemical potential, where the electron removal states are more localized than the addition states.

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.

Strong quantum coherence between Fermi liquid Mahan excitons

DOE PAGES

Paul, J.; Stevens, C. E.; Liu, C.; ...

2016-04-14

In modulation doped quantum wells, the excitons are formed as a result of the interactions of the charged holes with the electrons at the Fermi edge in the conduction band, leading to the so-called “Mahan excitons.” The binding energy of Mahan excitons is expected to be greatly reduced and any quantum coherence destroyed as a result of the screening and electron-electron interactions. Surprisingly, we observe strong quantum coherence between the heavy hole and light hole excitons. Such correlations are revealed by the dominating cross-diagonal peaks in both one-quantum and two-quantum two-dimensional Fourier transform spectra. Theoretical simulations based on the opticalmore » Bloch equations where many-body effects are included phenomenologically reproduce well the experimental spectra. Furthermore, time-dependent density functional theory calculations provide insight into the underlying physics and attribute the observed strong quantum coherence to a significantly reduced screening length and collective excitations of the many-electron system.« less

Hofstadter's Butterfly in the strongly interacting regime

NASA Astrophysics Data System (ADS)

Dean, Cory

2015-03-01

In 1976, Douglas Hofstadter predicted that in the presence of both a strong magnetic field, and a spatially varying periodic potential, Bloch electrons confined to a 2D quantum well exhibit a self-similar fractal energy spectrum known as the ``Hofstadter's Butterfly.'' In subsequent years, experimental discovery of the quantum Hall effect gave birth to an expansive field of research into 2D electronic systems in the presence of a magnetic field, however, direct confirmation of the fractal spectrum remained elusive. Recently we demonstrated that graphene, in which Bloch electrons can be described by Dirac fermions, provides a new opportunity to investigate this nearly 40 year old problem. In this talk I will discuss the experimental realization of Hofstader's butterfly by exploiting nano-scale interfacial effects between graphene and hexagonal boron nitride substrates, together with application of extremely high magnetic fields. Utilizing newly developed techniques to fabricate ultra-clean graphene devices, I will additionally demonstrate the capability to probe for the first time the effect of strong electron interactions within the fractal Hofstadter spectrum.

Nonequilibrium electron and lattice dynamics of strongly correlated Bi2Sr2CaCu2O8+δ single crystals

PubMed Central

Li, Renkai; Gu, Genda; Avigo, Isabella; Dürr, Hermann A.; Johnson, Peter D.; Wang, Xijie

2018-01-01

The interplay between the electronic and lattice degrees of freedom in nonequilibrium states of strongly correlated systems has been debated for decades. Although progress has been made in establishing a hierarchy of electronic interactions with the use of time-resolved techniques, the role of the phonons often remains in dispute, a situation highlighting the need for tools that directly probe the lattice. We present the first combined megaelectron volt ultrafast electron diffraction and time- and angle-resolved photoemission spectroscopy study of optimally doped Bi2Sr2CaCu2O8+δ. Quantitative analysis of the lattice and electron subsystems’ dynamics provides a unified picture of nonequilibrium electron-phonon interactions in the cuprates beyond the N-temperature model. The work provides new insights on the specific phonon branches involved in the nonequilibrium heat dissipation from the high-energy Cu–O bond stretching “hot” phonons to the lowest-energy acoustic phonons with correlated atomic motion along the <110> crystal directions and their characteristic time scales. It reveals a highly nonthermal phonon population during the first several picoseconds after the photoexcitation. The approach, taking advantage of the distinct nature of electrons and photons as probes, is applicable for studying energy relaxation in other strongly correlated electron systems. PMID:29719862

Coherent Terahertz Radiation from Multiple Electron Beams Excitation within a Plasmonic Crystal-like structure.

PubMed

Zhang, Yaxin; Zhou, Yucong; Gang, Yin; Jiang, Guili; Yang, Ziqiang

2017-01-23

Coherent terahertz radiation from multiple electron beams excitation within a plasmonic crystal-like structure (a three-dimensional holes array) which is composed of multiple stacked layers with 3 × 3 subwavelength holes array has been proposed in this paper. It has been found that in the structure the electromagnetic fields in each hole can be coupled with one another to construct a composite mode with strong field intensity. Therefore, the multiple electron beams injection can excite and efficiently interact with such mode. Meanwhile, the coupling among the electron beams is taken place during the interaction so that a very strong coherent terahertz radiation with high electron conversion efficiency can be generated. Furthermore, due to the coupling, the starting current density of this mechanism is much lower than that of traditional electron beam-driven terahertz sources. This multi-beam radiation system may provide a favorable way to combine photonics structure with electronics excitation to generate middle, high power terahertz radiation.

Coherent Terahertz Radiation from Multiple Electron Beams Excitation within a Plasmonic Crystal-like structure

PubMed Central

Zhang, Yaxin; Zhou, Yucong; Gang, Yin; Jiang, Guili; Yang, Ziqiang

2017-01-01

Coherent terahertz radiation from multiple electron beams excitation within a plasmonic crystal-like structure (a three-dimensional holes array) which is composed of multiple stacked layers with 3 × 3 subwavelength holes array has been proposed in this paper. It has been found that in the structure the electromagnetic fields in each hole can be coupled with one another to construct a composite mode with strong field intensity. Therefore, the multiple electron beams injection can excite and efficiently interact with such mode. Meanwhile, the coupling among the electron beams is taken place during the interaction so that a very strong coherent terahertz radiation with high electron conversion efficiency can be generated. Furthermore, due to the coupling, the starting current density of this mechanism is much lower than that of traditional electron beam-driven terahertz sources. This multi-beam radiation system may provide a favorable way to combine photonics structure with electronics excitation to generate middle, high power terahertz radiation. PMID:28112234

Kinks in the σ band of graphene induced by electron-phonon coupling.

PubMed

Mazzola, Federico; Wells, Justin W; Yakimova, Rositza; Ulstrup, Søren; Miwa, Jill A; Balog, Richard; Bianchi, Marco; Leandersson, Mats; Adell, Johan; Hofmann, Philip; Balasubramanian, T

2013-11-22

Angle-resolved photoemission spectroscopy reveals pronounced kinks in the dispersion of the σ band of graphene. Such kinks are usually caused by the combination of a strong electron-boson interaction and the cutoff in the Fermi-Dirac distribution. They are therefore not expected for the σ band of graphene that has a binding energy of more than ≈3.5 eV. We argue that the observed kinks are indeed caused by the electron-phonon interaction, but the role of the Fermi-Dirac distribution cutoff is assumed by a cutoff in the density of σ states. The existence of the effect suggests a very weak coupling of holes in the σ band not only to the π electrons of graphene but also to the substrate electronic states. This is confirmed by the presence of such kinks for graphene on several different substrates that all show a strong coupling constant of λ≈1.

Generation of Optical Vortices by Nonlinear Inverse Thomson Scattering at Arbitrary Angle Interactions

NASA Astrophysics Data System (ADS)

Taira, Yoshitaka; Katoh, Masahiro

2018-06-01

We theoretically verify that optical vortices carrying orbital angular momentum are generated in various astrophysical situations via nonlinear inverse Thomson scattering. Arbitrary angle collisions between relativistic electrons and circularly polarized strong electromagnetic waves are treated. We reveal that the higher harmonic components of scattered photons carry well-defined orbital angular momentum under a specific condition that the Lorentz factor of the electron is much larger than the field strength parameter of the electromagnetic wave. Our study indicates that optical vortices in a wide frequency range from radio waves to gamma-rays are naturally generated in environments where high-energy electrons interact with circularly polarized strong electromagnetic waves at various interaction angles. Optical vortices should be a new multi-messenger member carrying information concerning the physical circumstances of their sources, e.g., the magnetic and radiation fields. Moreover, their interactions with matter via their orbital angular momenta may play an important role in the evolution of matter in the universe.

A new fluorogenic sensing platform for salicylic acid derivatives based on π-π and NH-π interactions between electron-deficient and electron-rich aromatics.

PubMed

Pandith, Anup; Hazra, Giridhari; Kim, Hong-Seok

2017-05-05

A novel simple fluorescent probe was designed for the recognition of electron-rich salicylic acid derivatives (SAs). The imidazole-appended aminomethyl perylene probe 1 selectively differentiated between electron-rich amino-SAs and electron-deficient nitro-SAs in EtOH, exhibiting the highest selectivity and sensitivity toward 5-aminosalicylic acid (5-ASA) and showing strong 1:1 binding (K a =1.37×10 7 M -1 ). This high selectivity and sensitivity resulted from the synergistic multiple hydrogen bonding interactions of secondary amine and imidazole units and π-π interactions between electron-rich and electron-deficient rings, along with the unusual NH-π interactions between 5-ASA and the perylene moiety of 1. The limit of detection (LOD) for 5-ASA in EtOH was 0.012ppb. Copyright © 2017 Elsevier B.V. All rights reserved.

π-Extended Isoindigo-Based Derivative: A Promising Electron-Deficient Building Block for Polymer Semiconductors.

PubMed

Xu, Long; Zhao, Zhiyuan; Xiao, Mingchao; Yang, Jie; Xiao, Jian; Yi, Zhengran; Wang, Shuai; Liu, Yunqi

2017-11-22

The exploration of novel electron-deficient building blocks is a key task for developing high-performance polymer semiconductors in organic thin-film transistors. In view of the situation of the lack of strong electron-deficient building blocks, we designed two novel π-extended isoindigo-based electron-deficient building blocks, IVI and F 4 IVI. Owing to the strong electron-deficient nature and the extended π-conjugated system of the two acceptor units, their copolymers, PIVI2T and PF 4 IVI2T, containing 2,2'-bithiophene donor units, are endowed with deep-lying highest occupied molecular orbital (HOMO)/lowest unoccupied molecular orbital (LUMO) energy levels and strong intermolecular interactions. In comparison to PIVI2T, the fluorinated PF 4 IVI2T exhibits stronger intra- and intermolecular interactions, lower HOMO/LUMO energy levels up to -5.74/-4.17 eV, and more ordered molecular packing with a smaller π-π stacking distance of up to 3.53 Å, resulting in an excellent ambipolar transporting behavior and a promising application in logic circuits for PF 4 IVI2T in ambient with hole and electron mobilities of up to 1.03 and 1.82 cm 2 V -1 s -1 , respectively. The results reveal that F 4 IVI is a promising and strong electron-deficient building unit to construct high-performance semiconducting polymers, which provides an insight into the structure-property relationships for the exploration and molecular engineering of excellent electron-deficient building blocks in the field of organic electronics.

Spin noise spectroscopy of ZnO

NASA Astrophysics Data System (ADS)

Horn, H.; Berski, F.; Balocchi, A.; Marie, X.; Mansur-Al-Suleiman, M.; Bakin, A.; Waag, A.; Hübner, J.; Oestreich, M.

2013-12-01

We investigate the thermal equilibrium dynamics of electron spins bound to donors in nanoporous ZnO by optical spin noise spectroscopy. The spin noise spectra reveal two noise contributions: A weak spin noise signal from undisturbed localized donor electrons with a dephasing time of 24 ns due to hyperfine interaction and a strong spin noise signal with a spin dephasing time of 5 ns which we attribute to localized donor electrons which interact with lattice defects.

Fully gapped superconductivity with no sign change in the prototypical heavy-fermion CeCu2Si2.

PubMed

Yamashita, Takuya; Takenaka, Takaaki; Tokiwa, Yoshifumi; Wilcox, Joseph A; Mizukami, Yuta; Terazawa, Daiki; Kasahara, Yuichi; Kittaka, Shunichiro; Sakakibara, Toshiro; Konczykowski, Marcin; Seiro, Silvia; Jeevan, Hirale S; Geibel, Christoph; Putzke, Carsten; Onishi, Takafumi; Ikeda, Hiroaki; Carrington, Antony; Shibauchi, Takasada; Matsuda, Yuji

2017-06-01

In exotic superconductors, including high- T c copper oxides, the interactions mediating electron Cooper pairing are widely considered to have a magnetic rather than a conventional electron-phonon origin. Interest in this exotic pairing was initiated by the 1979 discovery of heavy-fermion superconductivity in CeCu 2 Si 2 , which exhibits strong antiferromagnetic fluctuations. A hallmark of unconventional pairing by anisotropic repulsive interactions is that the superconducting energy gap changes sign as a function of the electron momentum, often leading to nodes where the gap goes to zero. We report low-temperature specific heat, thermal conductivity, and magnetic penetration depth measurements in CeCu 2 Si 2 , demonstrating the absence of gap nodes at any point on the Fermi surface. Moreover, electron irradiation experiments reveal that the superconductivity survives even when the electron mean free path becomes substantially shorter than the superconducting coherence length. This indicates that superconductivity is robust against impurities, implying that there is no sign change in the gap function. These results show that, contrary to long-standing belief, heavy electrons with extremely strong Coulomb repulsions can condense into a fully gapped s-wave superconducting state, which has an on-site attractive pairing interaction.

Iridates and RuCl3 - from Heisenberg antiferromagnets to potential Kitaev spin-liquids

NASA Astrophysics Data System (ADS)

van den Brink, Jeroen

The observed richness of topological states on the single-electron level prompts the question what kind of topological phases can develop in more strongly correlated, many-body electron systems. Correlation effects, in particular intra- and inter-orbital electron-electron interactions, are very substantial in 3 d transition-metal compounds such as the copper oxides, but the spin-orbit coupling (SOC) is weak. In 5 d transition-metal compounds such as iridates, the interesting situation arises that the SOC and Coulomb interactions meet on the same energy scale. The electronic structure of iridates thus depends on a strong competition between the electronic hopping amplitudes, local energy-level splittings, electron-electron interaction strengths, and the SOC of the Ir 5d electrons. The interplay of these ingredients offers the potential to stabilise relatively well-understood states such as a 2D Heisenberg-like antiferromagnet in Sr2IrO4, but in principle also far more exotic ones, such a topological Kitaev quantum spin liquid, in (hyper)honeycomb iridates. I will discuss the microscopic electronic structures of these iridates, their proximity to idealized Heisenberg and Kitaev models and our contributions to establishing the physical factors that appear to have preempted the realization of quantum spin liquid phases so far and include a discussion on the 4d transition metal chloride RuCl3. Supported by SFB 1143 of the Deutsche Forschungsgemeinschaft.

Quadratic Fermi node in a 3D strongly correlated semimetal

PubMed Central

Kondo, Takeshi; Nakayama, M.; Chen, R.; Ishikawa, J. J.; Moon, E.-G.; Yamamoto, T.; Ota, Y.; Malaeb, W.; Kanai, H.; Nakashima, Y.; Ishida, Y.; Yoshida, R.; Yamamoto, H.; Matsunami, M.; Kimura, S.; Inami, N.; Ono, K.; Kumigashira, H.; Nakatsuji, S.; Balents, L.; Shin, S.

2015-01-01

Strong spin–orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin–orbit and strong electron–electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr2Ir2O7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermi liquid behaviour is predicted, for which we observe some evidence. Our discovery implies that Pr2Ir2O7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states. PMID:26640114

Quadratic Fermi node in a 3D strongly correlated semimetal

DOE PAGES

Kondo, Takeshi; Nakayama, M.; Chen, R.; ...

2015-12-07

We report that strong spin–orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin–orbit and strong electron–electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr 2Ir 2O 7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermimore » liquid behaviour is predicted, for which we observe some evidence. Lastly, our discovery implies that Pr 2Ir 2O 7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states.« less

Stable Molecular Diodes Based on π-π Interactions of the Molecular Frontier Orbitals with Graphene Electrodes.

PubMed

Song, Peng; Guerin, Sarah; Tan, Sherman Jun Rong; Annadata, Harshini Venkata; Yu, Xiaojiang; Scully, Micheál; Han, Ying Mei; Roemer, Max; Loh, Kian Ping; Thompson, Damien; Nijhuis, Christian A

2018-03-01

In molecular electronics, it is important to control the strength of the molecule-electrode interaction to balance the trade-off between electronic coupling strength and broadening of the molecular frontier orbitals: too strong coupling results in severe broadening of the molecular orbitals while the molecular orbitals cannot follow the changes in the Fermi levels under applied bias when the coupling is too weak. Here, a platform based on graphene bottom electrodes to which molecules can bind via π-π interactions is reported. These interactions are strong enough to induce electronic function (rectification) while minimizing broadening of the molecular frontier orbitals. Molecular tunnel junctions are fabricated based on self-assembled monolayers (SAMs) of Fc(CH 2 ) 11 X (Fc = ferrocenyl, X = NH 2 , Br, or H) on graphene bottom electrodes contacted to eutectic alloy of gallium and indium top electrodes. The Fc units interact more strongly with graphene than the X units resulting in SAMs with the Fc at the bottom of the SAM. The molecular diodes perform well with rectification ratios of 30-40, and they are stable against bias stressing under ambient conditions. Thus, tunnel junctions based on graphene with π-π molecule-electrode coupling are promising platforms to fabricate stable and well-performing molecular diodes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nonequilibrium electron and lattice dynamics of strongly correlated Bi 2Sr 2CaCu 2O 8+δ single crystals

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

Konstantinova, Tatiana; Rameau, Jonathan D.; Reid, Alexander H.

Here, the interplay between the electronic and lattice degrees of freedom in nonequilibrium states of strongly correlated systems has been debated for decades. Although progress has been made in establishing a hierarchy of electronic interactions with the use of time-resolved techniques, the role of the phonons often remains in dispute, a situation highlighting the need for tools that directly probe the lattice. We present the first combined megaelectron volt ultrafast electron diffraction and time- and angle-resolved photoemission spectroscopy study of optimally doped Bi 2Sr 2CaCu 2O 8+δ. Quantitative analysis of the lattice and electron subsystems’ dynamics provides a unified picturemore » of nonequilibrium electron-phonon interactions in the cuprates beyond the N-temperature model. The work provides new insights on the specific phonon branches involved in the nonequilibrium heat dissipation from the high-energy Cu–O bond stretching “hot” phonons to the lowest-energy acoustic phonons with correlated atomic motion along the <110> crystal directions and their characteristic time scales. It reveals a highly nonthermal phonon population during the first several picoseconds after the photoexcitation. The approach, taking advantage of the distinct nature of electrons and photons as probes, is applicable for studying energy relaxation in other strongly correlated electron systems.« less

Nonequilibrium electron and lattice dynamics of strongly correlated Bi 2Sr 2CaCu 2O 8+δ single crystals

DOE PAGES

Konstantinova, Tatiana; Rameau, Jonathan D.; Reid, Alexander H.; ...

2018-04-27

Here, the interplay between the electronic and lattice degrees of freedom in nonequilibrium states of strongly correlated systems has been debated for decades. Although progress has been made in establishing a hierarchy of electronic interactions with the use of time-resolved techniques, the role of the phonons often remains in dispute, a situation highlighting the need for tools that directly probe the lattice. We present the first combined megaelectron volt ultrafast electron diffraction and time- and angle-resolved photoemission spectroscopy study of optimally doped Bi 2Sr 2CaCu 2O 8+δ. Quantitative analysis of the lattice and electron subsystems’ dynamics provides a unified picturemore » of nonequilibrium electron-phonon interactions in the cuprates beyond the N-temperature model. The work provides new insights on the specific phonon branches involved in the nonequilibrium heat dissipation from the high-energy Cu–O bond stretching “hot” phonons to the lowest-energy acoustic phonons with correlated atomic motion along the <110> crystal directions and their characteristic time scales. It reveals a highly nonthermal phonon population during the first several picoseconds after the photoexcitation. The approach, taking advantage of the distinct nature of electrons and photons as probes, is applicable for studying energy relaxation in other strongly correlated electron systems.« less

Electron attachment to molecules in a cluster environment: suppression and enhancement effects

NASA Astrophysics Data System (ADS)

Fabrikant, Ilya I.

2018-05-01

Cluster environments can strongly influence dissociative electron attachment (DEA) processes. These effects are important in many applications, particularly for surface chemistry, radiation damage, and atmospheric physics. We review several mechanisms for DEA suppression and enhancement due to cluster environments, particularly due to microhydration. Long-range electron-molecule and electron-cluster interactions play often a significant role in these effects and can be analysed by using theoretical models. Nevertheless many observations remain unexplained due to complexity of the physics and chemistry of interaction of DEA fragments with the cluster environment.

Quantum ring with the Rashba spin-orbit interaction in the regime of strong light-matter coupling

NASA Astrophysics Data System (ADS)

Kozin, V. K.; Iorsh, I. V.; Kibis, O. V.; Shelykh, I. A.

2018-04-01

We developed the theory of electronic properties of semiconductor quantum rings with the Rashba spin-orbit interaction irradiated by an off-resonant high-frequency electromagnetic field (dressing field). Within the Floquet theory of periodically driven quantum systems, it is demonstrated that the dressing field drastically modifies all electronic characteristics of the rings, including spin-orbit coupling, effective electron mass, and optical response. In particular, the present effect paves the way to controlling the spin polarization of electrons with light in prospective ring-shaped spintronic devices.

Electroluminescence Caused by the Transport of Interacting Electrons through Parallel Quantum Dots in a Photon Cavity

NASA Astrophysics Data System (ADS)

Gudmundsson, Vidar; Abdulla, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei

2018-02-01

We show that a Rabi-splitting of the states of strongly interacting electrons in parallel quantum dots embedded in a short quantum wire placed in a photon cavity can be produced by either the para- or the dia-magnetic electron-photon interactions when the geometry of the system is properly accounted for and the photon field is tuned close to a resonance with the electron system. We use these two resonances to explore the electroluminescence caused by the transport of electrons through the one- and two-electron ground states of the system and their corresponding conventional and vacuum electroluminescense as the central system is opened up by coupling it to external leads acting as electron reservoirs. Our analysis indicates that high-order electron-photon processes are necessary to adequately construct the cavity-photon dressed electron states needed to describe both types of electroluminescence.

Many-body interactions in quasi-freestanding graphene

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

Siegel, David; Park, Cheol-Hwan; Hwang, Choongyu

2011-06-03

The Landau-Fermi liquid picture for quasiparticles assumes that charge carriers are dressed by many-body interactions, forming one of the fundamental theories of solids. Whether this picture still holds for a semimetal such as graphene at the neutrality point, i.e., when the chemical potential coincides with the Dirac point energy, is one of the long-standing puzzles in this field. Here we present such a study in quasi-freestanding graphene by using high-resolution angle-resolved photoemission spectroscopy. We see the electron-electron and electron-phonon interactions go through substantial changes when the semimetallic regime is approached, including renormalizations due to strong electron-electron interactions with similarities tomore » marginal Fermi liquid behavior. These findings set a new benchmark in our understanding of many-body physics in graphene and a variety of novel materials with Dirac fermions.« less

Electron tunneling through covalent and noncovalent pathways in proteins

NASA Technical Reports Server (NTRS)

Beratan, David N.; Onuchic, Jose Nelson; Hopfield, J. J.

1987-01-01

A model is presented for electron tunneling in proteins which allows the donor-acceptor interaction to be mediated by the covalent bonds between amino acids and noncovalent contacts between amino acid chains. The important tunneling pathways are predicted to include mostly bonded groups with less favorable nonbonded interactions being important when the through bond pathway is prohibitively long. In some cases, vibrational motion of nonbonded groups along the tunneling pathway strongly influences the temperature dependence of the rate. Quantitative estimates for the sizes of these noncovalent interactions are made and their role in protein mediated electron transport is discussed.

Electron-phonon interaction in efficient perovskite blue emitters

NASA Astrophysics Data System (ADS)

Gong, Xiwen; Voznyy, Oleksandr; Jain, Ankit; Liu, Wenjia; Sabatini, Randy; Piontkowski, Zachary; Walters, Grant; Bappi, Golam; Nokhrin, Sergiy; Bushuyev, Oleksandr; Yuan, Mingjian; Comin, Riccardo; McCamant, David; Kelley, Shana O.; Sargent, Edward H.

2018-06-01

Low-dimensional perovskites have—in view of their high radiative recombination rates—shown great promise in achieving high luminescence brightness and colour saturation. Here we investigate the effect of electron-phonon interactions on the luminescence of single crystals of two-dimensional perovskites, showing that reducing these interactions can lead to bright blue emission in two-dimensional perovskites. Resonance Raman spectra and deformation potential analysis show that strong electron-phonon interactions result in fast non-radiative decay, and that this lowers the photoluminescence quantum yield (PLQY). Neutron scattering, solid-state NMR measurements of spin-lattice relaxation, density functional theory simulations and experimental atomic displacement measurements reveal that molecular motion is slowest, and rigidity greatest, in the brightest emitter. By varying the molecular configuration of the ligands, we show that a PLQY up to 79% and linewidth of 20 nm can be reached by controlling crystal rigidity and electron-phonon interactions. Designing crystal structures with electron-phonon interactions in mind offers a previously underexplored avenue to improve optoelectronic materials' performance.

Observation of van Hove Singularities in Twisted Silicene Multilayers.

PubMed

Li, Zhi; Zhuang, Jincheng; Chen, Lan; Ni, Zhenyi; Liu, Chen; Wang, Li; Xu, Xun; Wang, Jiaou; Pi, Xiaodong; Wang, Xiaolin; Du, Yi; Wu, Kehui; Dou, Shi Xue

2016-08-24

Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter's butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp(2) and sp(3) hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material.

Carrier generation and electronic properties of a single-component pure organic metal

NASA Astrophysics Data System (ADS)

Kobayashi, Yuka; Terauchi, Takeshi; Sumi, Satoshi; Matsushita, Yoshitaka

2017-01-01

Metallic conduction generally requires high carrier concentration and wide bandwidth derived from strong orbital interaction between atoms or molecules. These requisites are especially important in organic compounds because a molecule is fundamentally an insulator; only multi-component salts with strong intermolecular interaction--namely, only charge transfer complexes and conducting polymers--have demonstrated intrinsic metallic behaviour. Herein we report a single-component electroactive molecule, zwitterionic tetrathiafulvalene(TTF)-extended dicarboxylate radical (TED), exhibiting metallic conduction even at low temperatures. TED exhibits d.c. conductivities of 530 S cm-1 at 300 K and 1,000 S cm-1 at 50 K with copper-like electronic properties. Spectroscopic and theoretical investigations of the carrier-generation mechanism and the electronic states of this single molecular species reveal a unique electronic structure with a spin-density gradient in the extended TTF moieties that becomes, in itself, a metallic state.

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

Suppression of spin and optical gaps in phosphorene quantum dots

NASA Astrophysics Data System (ADS)

Zhang, Yingjie; Sheng, Weidong

2018-05-01

Electronic structure and optical properties of triangular phosphorene quantum dots have been investigated theoretically. Based on systematic configuration interaction calculations, the ground and excited states of the interacting many-electron system together with its optical absorption spectrum are obtained. For the nanodot with 60 phosphorus atoms in various dielectric environments, it is found that the spin gap of the correlated system surprisingly overlaps its optical gap over a large range of the effective dielectric constant. The overlapping of the spin and optical gaps can be attributed to the fact that the extra correlation energy in the spin singlet almost compensates the exchange energy in the spin triplet in the presence of strong long-range electron-electron interactions. Moreover, both the spin and optical gaps are shown to be greatly suppressed as the screening effect becomes strong. When the dielectric constant decreases below 2.65, it is seen that the spin gap becomes negative and the quantum dot undergoes a phase transition from nonmagnetic to ferromagnetic. Our results are compared with the previous experimental and theoretical works.

Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n -doped anatase TiO2

NASA Astrophysics Data System (ADS)

Caruso, Fabio; Verdi, Carla; Poncé, Samuel; Giustino, Feliciano

2018-04-01

We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that electron-plasmon coupling in TiO2 underpins the formation of satellites at energies comparable to those of polaronic spectral features. At variance with phonons, however, the energy of plasmons and their spectral fingerprints depends strongly on the carrier concentration, revealing a complex interplay between plasmon and phonon satellites. The electron-plasmon interaction accounts for approximately 40% of the total electron-boson interaction strength, and it is key to improve the agreement with measured quasiparticle spectra.

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.

Tunneling spectroscopy of a spiral Luttinger liquid in contact with superconductors

NASA Astrophysics Data System (ADS)

Liu, Dong E.; Levchenko, Alex

2014-03-01

One-dimensional wires with Rashba spin-orbit coupling, magnetic field, and strong electron-electron interactions are described by a spiral Luttinger liquid model. We develop a theory to investigate the tunneling density of states into a spiral Luttinger liquid in contact with superconductors at its two ends. This approach provides a way to disentangle the delicate interplay between superconducting correlations and strong electron interactions. If the wire-superconductor boundary is dominated by Andreev reflection, we find that in the vicinity of the interface the zero-bias tunneling anomaly reveals a power law enhancement with the unusual exponent. This zero-bias due to Andreev reflections may coexist and thus mask possible peak due to Majorana bound states. Far away from the interface strong correlations inherent to the Luttinger liquid prevail and restore conventional suppression of the tunneling density of states at the Fermi level, which acquires a Friedel-like oscillatory envelope with the period renormalized by the strength of the interaction. D.E.L. was supported by Michigan State University and in part by ARO through Contract No. W911NF-12-1-0235. A.L. acknowledges support from NSF under Grant No. PHYS-1066293, and the hospitality of the Aspen Center for Physics.

Coherent control of the route of magnetic phases in quasi-1D armchair graphene nanoribbons via doping in the presence of electronic correlations

NASA Astrophysics Data System (ADS)

Dinh Hoi, Bui; Yarmohammadi, Mohsen; Davoudiniya, Masoumeh

2018-03-01

In this work, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons would be observed in the presence of electronic dopant. However, the mutual interactions between electrons are also considered based on theoretically tight-binding and Hubbard model calculations considering nearest neighbors within the framework of Green's function technique. This work showed that charge concentration of dopant in such system depending on the weak and strong mutual repulsions plays a crucial role in determining the magnetic phase. It follows from the obtained results that the ground state turns paramagnetic in a range of carrier concentrations by neglecting the electronic correlations. The inclusion of a Coulombic repulsion between electrons stops the phase transition and system remains in its ground state antiferromagnetic phase. Furthermore, we concluded that magnetic phases are insensitive to the electron-electron interaction at all weak and strong concentrations of dopant. In addition, this paper provides a controllable gap engineering by doping and inclusion of electron-electron repulsions for further studies on such system as a new potential nanomaterial for magnetic graphene nanoribbon-based applications.

Strongly-correlated crystal-field approach to heavy-fermion compounds and to 3d oxides

NASA Astrophysics Data System (ADS)

Radwanski, Ryszard; Ropka, Zofia

2005-03-01

The description of electronic and magnetic properties of real compounds like LaMnO3, LaCoO3, Na2V3O7, FeO, NdAl2 and ErNi5 as well as heavy-fermion superconductor UPd2Al3 and heavy-fermion metal YbRh2Si2, both zero-temperature ground state properties and thermodynamics, will be presented pointing out the existence of a discrete atomic-like low-energy, in the meV scale, electronic structure. This low-energy many-electron discrete atomic-like electronic structure is governed by very strong electron correlations, predominantly on-site, by the intra-atomic spin-orbit coupling and by details of the local surrounding (crystal-field interactions), but later is modified by inter-site interactions. Our studies indicate that there is the highest time to ``unquench'' the orbital moment in solid state physics in description of 3d-/4f-/5f-atom containing compounds and that heavy-fermion phenomena are of the relativistic origin.

Collisional entanglement fidelities in quantum plasmas including strong quantum recoil and oscillation effects

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2017-10-01

The quantum recoil and oscillation effects on the entanglement fidelity and the electron-exchange function for the electron-ion collision are investigated in a semiconductor plasma by using the partial wave analysis and effective interaction potential in strong quantum recoil regime. The magnitude of the electron-exchange function is found to increase as the collision energy increases, but it decreases with an increase in the exchange parameter. It is also found that the collisional entanglement fidelity in strong quantum recoil plasmas is enhanced by the quantum-mechanical and shielding effects. The collisional entanglement fidelity in a semiconductor plasma is also enhanced by the collective plasmon oscillation and electron-exchange effect. However, the electron-exchange effect on the fidelity ratio function is reduced as the plasmon energy increases. Moreover, the electron-exchange influence on the fidelity ratio function is found to increase as the Fermi energy in the semiconductor plasma increases.

Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces

NASA Astrophysics Data System (ADS)

Otero, R.; Vázquez de Parga, A. L.; Gallego, J. M.

2017-07-01

During the last decade, interest on the growth and self-assembly of organic molecular species on solid surfaces spread over the scientific community, largely motivated by the promise of cheap, flexible and tunable organic electronic and optoelectronic devices. These efforts lead to important advances in our understanding of the nature and strength of the non-bonding intermolecular interactions that control the assembly of the organic building blocks on solid surfaces, which have been recently reviewed in a number of excellent papers. To a large extent, such studies were possible because of a smart choice of model substrate-adsorbate systems where the molecule-substrate interactions were purposefully kept low, so that most of the observed supramolecular structures could be understood simply by considering intermolecular interactions, keeping the role of the surface always relatively small (although not completely negligible). On the other hand, the systems which are more relevant for the development of organic electronic devices include molecular species which are electron donors, acceptors or blends of donors and acceptors. Adsorption of such organic species on solid surfaces is bound to be accompanied by charge-transfer processes between the substrate and the adsorbates, and the physical and chemical properties of the molecules cannot be expected any longer to be the same as in solution phase. In recent years, a number of groups around the world have started tackling the problem of the adsorption, self- assembly and electronic and chemical properties of organic species which interact rather strongly with the surface, and for which charge-transfer must be considered. The picture that is emerging shows that charge transfer can lead to a plethora of new phenomena, from the development of delocalized band-like electron states at molecular overlayers, to the existence of new substrate-mediated intermolecular interactions or the strong modification of the chemical reactivity of the adsorbates. The aim of this review is to start drawing general conclusions and developing new concepts which will help the scientific community to proceed more efficiently towards the understanding of organic/inorganic interfaces in the strong interaction limit, where charge-transfer effects must be taken into consideration.

A toy model to investigate the existence of excitons in the ground state of strongly-correlated semiconductor

NASA Astrophysics Data System (ADS)

Karima, H. R.; Majidi, M. A.

2018-04-01

Excitons, quasiparticles associated with bound states between an electron and a hole and are typically created when photons with a suitable energy are absorbed in a solid-state material. We propose to study a possible emergence of excitons, created not by photon absorption but the effect of strong electronic correlations. This study is motivated by a recent experimental study of a substrate material SrTiO3 (STO) that reveals strong exitonic signals in its optical conductivity. Here we conjecture that some excitons may already exist in the ground state as a result of the electronic correlations before the additional excitons being created later by photon absorption. To investigate the existence of excitons in the ground state, we propose to study a simple 4-energy-level model that mimics a situation in strongly-correlated semiconductors. The four levels are divided into two groups, lower and upper groups separated by an energy gap, Eg , mimicking the valence and the conduction bands, respectively. Further, we incorporate repulsive Coulomb interactions between the electrons. The model is then solved by exact diagonalization method. Our result shows that the toy model can demonstrate band gap widening or narrowing and the existence of exciton in the ground state depending on interaction parameter values.

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.

Structure and Electronic Properties of Interface-Confined Oxide Nanostructures

DOE PAGES

Liu, Yun; Ning, Yanxiao; Yu, Liang; ...

2017-09-16

The controlled fabrication of nanostructures has often made use of a substrate template to mediate and control the growth kinetics. Electronic substrate-mediated interactions have been demonstrated to guide the assembly of organic molecules or the nucleation of metal atoms but usually at cryogenic temperatures, where the diffusion has been limited. Combining STM, STS, and DFT studies, we report that the strong electronic interaction between transition metals and oxides could indeed govern the growth of low-dimensional oxide nanostructures. As a demonstration, a series of FeO triangles, which are of the same structure and electronic properties but with different sizes (side lengthmore » >3 nm), are synthesized on Pt(111). The strong interfacial interaction confines the growth of FeO nanostructures, leading to a discrete size distribution and a uniform step structure. Given the same interfacial configuration, as-grown FeO nanostructures not only expose identical edge/surface structure but also exhibit the same electronic properties, as manifested by the local density of states and local work functions. We expect the interfacial confinement effect can be generally applied to control the growth of oxide nanostructures on transition metal surfaces. These oxide nanostructures of the same structure and electronic properties are excellent models for studies of nanoscale effects and applications.« less

Fully gapped superconductivity with no sign change in the prototypical heavy-fermion CeCu2Si2

PubMed Central

Yamashita, Takuya; Takenaka, Takaaki; Tokiwa, Yoshifumi; Wilcox, Joseph A.; Mizukami, Yuta; Terazawa, Daiki; Kasahara, Yuichi; Kittaka, Shunichiro; Sakakibara, Toshiro; Konczykowski, Marcin; Seiro, Silvia; Jeevan, Hirale S.; Geibel, Christoph; Putzke, Carsten; Onishi, Takafumi; Ikeda, Hiroaki; Carrington, Antony; Shibauchi, Takasada; Matsuda, Yuji

2017-01-01

In exotic superconductors, including high-Tc copper oxides, the interactions mediating electron Cooper pairing are widely considered to have a magnetic rather than a conventional electron-phonon origin. Interest in this exotic pairing was initiated by the 1979 discovery of heavy-fermion superconductivity in CeCu2Si2, which exhibits strong antiferromagnetic fluctuations. A hallmark of unconventional pairing by anisotropic repulsive interactions is that the superconducting energy gap changes sign as a function of the electron momentum, often leading to nodes where the gap goes to zero. We report low-temperature specific heat, thermal conductivity, and magnetic penetration depth measurements in CeCu2Si2, demonstrating the absence of gap nodes at any point on the Fermi surface. Moreover, electron irradiation experiments reveal that the superconductivity survives even when the electron mean free path becomes substantially shorter than the superconducting coherence length. This indicates that superconductivity is robust against impurities, implying that there is no sign change in the gap function. These results show that, contrary to long-standing belief, heavy electrons with extremely strong Coulomb repulsions can condense into a fully gapped s-wave superconducting state, which has an on-site attractive pairing interaction. PMID:28691082

Structure and Electronic Properties of Interface-Confined Oxide Nanostructures

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

Liu, Yun; Ning, Yanxiao; Yu, Liang

The controlled fabrication of nanostructures has often made use of a substrate template to mediate and control the growth kinetics. Electronic substrate-mediated interactions have been demonstrated to guide the assembly of organic molecules or the nucleation of metal atoms but usually at cryogenic temperatures, where the diffusion has been limited. Combining STM, STS, and DFT studies, we report that the strong electronic interaction between transition metals and oxides could indeed govern the growth of low-dimensional oxide nanostructures. As a demonstration, a series of FeO triangles, which are of the same structure and electronic properties but with different sizes (side lengthmore » >3 nm), are synthesized on Pt(111). The strong interfacial interaction confines the growth of FeO nanostructures, leading to a discrete size distribution and a uniform step structure. Given the same interfacial configuration, as-grown FeO nanostructures not only expose identical edge/surface structure but also exhibit the same electronic properties, as manifested by the local density of states and local work functions. We expect the interfacial confinement effect can be generally applied to control the growth of oxide nanostructures on transition metal surfaces. These oxide nanostructures of the same structure and electronic properties are excellent models for studies of nanoscale effects and applications.« less

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

PubMed

Klinkusch, Stefan; Tremblay, Jean Christophe

2016-05-14

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

Magnetoresistance effect in Fe{sub 20}Ni{sub 80}/graphene/Fe{sub 20}Ni{sub 80} vertical spin valves

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

Entani, Shiro, E-mail: entani.shiro@qst.go.jp; Naramoto, Hiroshi; Sakai, Seiji

2016-08-22

Vertical spin valve devices with junctions of single- and bi-layer graphene interlayers sandwiched with Fe{sub 20}Ni{sub 80} (Permalloy) electrodes were fabricated by exploiting the direct growth of graphene on the Permalloy. The linear current-voltage characteristics indicated that ohmic contacts were realized at the interfaces. The systematic characterization revealed the significant modification of the electronic state of the interfacial graphene layer on the Permalloy surface, which indicates the strong interactions at the interface. The ohmic transport was attributable to the strong interface-interaction. The vertical resistivity of the graphene interlayer and the spin asymmetry coefficient at the graphene/Permalloy interface were obtained tomore » be 0.13 Ω cm and 0.06, respectively. It was found that the strong interface interaction modifies the electronic structure and metallic properties in the vertical spin valve devices with bi-layer graphene as well as single-layer graphene.« less

Frenkel versus charge-transfer exciton dispersion in molecular crystals

NASA Astrophysics Data System (ADS)

Cudazzo, Pierluigi; Gatti, Matteo; Rubio, Angel; Sottile, Francesco

2013-11-01

By solving the many-body Bethe-Salpeter equation at finite momentum transfer, we characterize the exciton dispersion in two prototypical molecular crystals, picene and pentacene, in which localized Frenkel excitons compete with delocalized charge-transfer excitons. We explain the exciton dispersion on the basis of the interplay between electron and hole hopping and electron-hole exchange interaction, unraveling a simple microscopic description to distinguish Frenkel and charge-transfer excitons. This analysis is general and can be applied to other systems in which the electron wave functions are strongly localized, as in strongly correlated insulators.

Measurement of GEP/GMP to Q2 = 5.6 GEV2 via Recoil Polarization at Jefferson Lab

NASA Astrophysics Data System (ADS)

Gayou, Olivier

2001-10-01

The measurement of the elastic form factors is a key ingredient to any complete understanding of the internal structure of the nucleons, and ultimately of the strong force. Precise data are essential to impose stringent tests on any QCD-based theory. The electromagnetic interaction provides a unique tool to investigate these form factors. In elastic electron scattering off a proton, the electron interacts with the nucleon exchanging a virtual photon. The electron-photon interaction is fully understood from QED, hence making the hadron vertex the only unknown of the reaction...

The role of electron-phonon interactions on the coherence lifetime of monolayer transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Stevens, C. E.; Dey, P.; Paul, J.; Wang, Z.; Zhang, H.; Romero, A. H.; Shan, J.; Hilton, D. J.; Karaiskaj, D.

2017-10-01

We investigate the excitonic dephasing of transition metal dichalcogenides, namely MoS2, MoSe2 and WSe2 atomic monolayer thick and bulk crystals, in order to understand the factors that determine the optical coherence in these materials. Coherent nonlinear optical spectroscopy, temperature dependent absorption combined with theoretical calculations of the phonon spectra, reveal the important role electron-phonon interactions plat in dephasing process. The temperature dependence of the electronic band gap and the excitonic linewidth combined with 'ab initio' calculations of the phonon energies and the phonon density of state reveal strong interaction with the E‧ and E″ phonon modes.

The role of electron-phonon interactions on the coherence lifetime of monolayer transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Stevens, C. E.; Dey, P.; Paul, J.; Wang, Z.; Zhang, H.; Romero, A. H.; Shan, J.; Hilton, D. J.; Karaiskaj, D.

2017-06-01

We investigate the excitonic dephasing of transition metal dichalcogenides, namely MoS2, MoSe2 and WSe2 atomic monolayer thick and bulk crystals, in order to understand the factors that determine the optical coherence in these materials. Coherent nonlinear optical spectroscopy, temperature dependent absorption combined with theoretical calculations of the phonon spectra, reveal the important role electron-phonon interactions plat in dephasing process. The temperature dependence of the electronic band gap and the excitonic linewidth combined with ‘ab initio’ calculations of the phonon energies and the phonon density of state reveal strong interaction with the E’ and E” phonon modes.

An electron spin polarization study of the interaction of photoexcited triplet molecules with mono- and polynitroxyl stable free radicals

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

Turro, N.J.; Khudyakov, I.V.; Bossmann, S.H.

1993-02-11

Time-resolved electron spin resonance (TR ESR) has been used to investigate the chemically induced dynamic electron polarization (CIDEP) generated by the interaction of stable free radicals with the triplet states of benzophenone, benzil, and 2-acetylnaphthalene. The stable radicals were mono-, di-, tri-, and tetranitroxyl free radicals possessing the 2,2,6,6-tetramethylpiperidine-N-oxyl moiety. All of the stable radical systems investigated were found to be emissively polarized by interaction with the triplet states, and the phase of polarization was independent of the sign of zero-field splitting (D) of the interacting triple molecule. Possible and likely mechanisms of polarization transfer (creation) resulting from the interactionmore » of photoexcited triplet molecules with nitroxyls in the strong electron exchange are discussed. The emissive CIDEP of nitroxyls observed in the interactions with triplet benzil, which has D > 0, provides strong support for the operation of the radical-triplet pair mechanism. Within the time scale of TR ESR experiments ([approximately]10[sup [minus]7]--10[sup [minus]6] s) no significant variation in the shape of the CIDEP spectra of the nitroxyls was observed, either in viscous media or in micelles. It is concluded that intramolecular spin exchange (or conformational change) of polynitroyls occurs much faster than the time resolution of the experiment. 24 refs., 6 figs., 1 tab.« less

Giant magnetoelectric effect in pure manganite-manganite heterostructures

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

Paul, Sanjukta; Pankaj, Ravindra; Yarlagadda, Sudhakar

2017-11-01

Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form (Insulator) /(LaMnO3)(n)/Interface/(CaMnO3)(n)/(Insulator) show strong multiferroicity in magnetic manganites where ferroelectric polarization is realized by charges leaking from LaMnO3 to CaMnO3 due to repulsion. Here, an effective nearest-neighbor electron-electron (electron-hole) repulsion (attraction) is generated by cooperative electron-phonon interaction. Double exchange, when a particle virtually hops to its unoccupied neighboring site and back, produces magnetic polarons that polarize antiferromagnetic regions. Thus a striking giant magnetoelectric effect ensues when an external electrical field enhances the electron leakage across the interface.

Switching between attractive and repulsive Coulomb-interaction-mediated drag in an ambipolar GaAs/AlGaAs bilayer device

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

Zheng, B.; Croxall, A. F.; Waldie, J., E-mail: jw353@cam.ac.uk

2016-02-08

We present measurements of Coulomb drag in an ambipolar GaAs/AlGaAs double quantum well structure that can be configured as both an electron-hole bilayer and a hole-hole bilayer, with an insulating barrier of only 10 nm between the two quantum wells. Coulomb drag resistivity is a direct measure of the strength of interlayer particle-particle interactions. We explore the strongly interacting regime of low carrier densities (2D interaction parameter r{sub s} up to 14). Our ambipolar device design allows a comparison between the effects of the attractive electron-hole and repulsive hole-hole interactions and also shows the effects of the different effective masses ofmore » electrons and holes in GaAs.« less

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.

Observation of two-orbital spin-exchange interactions with ultracold SU(N)-symmetric fermions

NASA Astrophysics Data System (ADS)

Scazza, F.; Hofrichter, C.; Höfer, M.; de Groot, P. C.; Bloch, I.; Fölling, S.

2014-10-01

Spin-exchanging interactions govern the properties of strongly correlated electron systems such as many magnetic materials. When orbital degrees of freedom are present, spin exchange between different orbitals often dominates, leading to the Kondo effect, heavy fermion behaviour or magnetic ordering. Ultracold ytterbium or alkaline-earth ensembles have attracted much recent interest as model systems for these effects, with two (meta-) stable electronic configurations representing independent orbitals. We report the observation of spin-exchanging contact interactions in a two-orbital SU(N)-symmetric quantum gas realized with fermionic 173Yb. We find strong inter-orbital spin exchange by spectroscopic characterization of all interaction channels and demonstrate SU(N = 6) symmetry within our measurement precision. The spin-exchange process is also directly observed through the dynamic equilibration of spin imbalances between ensembles in separate orbitals. The realization of an SU(N)-symmetric two-orbital Hubbard Hamiltonian opens the route to quantum simulations with extended symmetries and with orbital magnetic interactions, such as the Kondo lattice model.

Ultrawide electrical tuning of light matter interaction in a high electron mobility transistor structure

PubMed Central

Pal, Shovon; Nong, Hanond; Markmann, Sergej; Kukharchyk, Nadezhda; Valentin, Sascha R.; Scholz, Sven; Ludwig, Arne; Bock, Claudia; Kunze, Ulrich; Wieck, Andreas D.; Jukam, Nathan

2015-01-01

The interaction between intersubband resonances (ISRs) and metamaterial microcavities constitutes a strongly coupled system where new resonances form that depend on the coupling strength. Here we present experimental evidence of strong coupling between the cavity resonance of a terahertz metamaterial and the ISR in a high electron mobility transistor (HEMT) structure. The device is electrically switched from an uncoupled to a strongly coupled regime by tuning the ISR with epitaxially grown transparent gate. The asymmetric potential in the HEMT structure enables ultrawide electrical tuning of ISR, which is an order of magnitude higher as compared to an equivalent square well. For a single heterojunction with a triangular confinement, we achieve an avoided splitting of 0.52 THz, which is a significant fraction of the bare intersubband resonance at 2 THz. PMID:26578287

Quasi-linear analysis of the extraordinary electron wave destabilized by runaway electrons

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

Pokol, G. I.; Kómár, A.; Budai, A.

2014-10-15

Runaway electrons with strongly anisotropic distributions present in post-disruption tokamak plasmas can destabilize the extraordinary electron (EXEL) wave. The present work investigates the dynamics of the quasi-linear evolution of the EXEL instability for a range of different plasma parameters using a model runaway distribution function valid for highly relativistic runaway electron beams produced primarily by the avalanche process. Simulations show a rapid pitch-angle scattering of the runaway electrons in the high energy tail on the 100–1000 μs time scale. Due to the wave-particle interaction, a modification to the synchrotron radiation spectrum emitted by the runaway electron population is foreseen, exposing amore » possible experimental detection method for such an interaction.« less

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.

Discovery of an unconventional charge density wave at the surface of K 0.9Mo 6O 17

DOE PAGES

Mou, Daixiang; Sapkota, Aashish; Kung, H. -H.; ...

2016-05-13

In this study, we use angle resolved photoemission spectroscopy, Raman spectroscopy, low energy electron diffraction, and x-ray scattering to reveal an unusual electronically mediated charge density wave (CDW) in K 0.9Mo 6O 17. Not only does K 0.9Mo 6O 17 lack signatures of electron-phonon coupling, but it also hosts an extraordinary surface CDW, with T S_CDW = 220 K nearly twice that of the bulk CDW, T B_CDW = 115 K. While the bulk CDW has a BCS-like gap of 12 meV, the surface gap is 10 times larger and well in the strong coupling regime. Strong coupling behavior combinedmore » with the absence of signatures of strong electron-phonon coupling indicates that the CDW is likely mediated by electronic interactions enhanced by low dimensionality.« less

Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor.

PubMed

Aucar, I Agustín; Gómez, Sergio S; Giribet, Claudia G; Ruiz de Azúa, Martín C

2013-09-07

In this work, relativistic effects on the nuclear spin-rotation (SR) tensor originated in the electron-nucleus and electron-electron Breit interactions are analysed. To this end, four-component numerical calculations were carried out in model systems HX (X=H,F,Cl,Br,I). The electron-nucleus Breit interaction couples the electrons and nuclei dynamics giving rise to a purely relativistic contribution to the SR tensor. Its leading order in 1/c is of the same value as that of relativistic corrections on the usual second order expression of the SR tensor considered in previous work [I. A. Aucar, S. S. Gómez, J. I. Melo, C. G. Giribet, and M. C. Ruiz de Azúa, J. Chem. Phys. 138, 134107 (2013)], and therefore it is absolutely necessary to establish its relative importance. For the sake of completeness, the corresponding effect originating in the electron-electron Breit interaction is also considered. It is verified that in all cases these Breit interactions yield only very small corrections to the SR tensors of both the X and H nuclei in the present series of compounds. Results of the present work strongly suggest that in order to achieve experimental accuracy in the theoretical study of the SR tensor both electron-nucleus and electron-electron Breit effects can be safely neglected.

Quantum Theory of Orbital Magnetization and Its Generalization to Interacting Systems

NASA Astrophysics Data System (ADS)

Shi, Junren; Vignale, G.; Xiao, Di; Niu, Qian

2007-11-01

Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at zero or finite temperatures, and at weak as well as strong magnetic fields. The formula is shown to be valid in the presence of electron-electron interaction, provided the one-electron energies and wave functions are calculated self-consistently within the framework of the exact current and spin-density functional theory.

Unconventional transport in ultraclean graphene constriction devices

NASA Astrophysics Data System (ADS)

Pita Vidal, Marta; Ma, Qiong; Watanabe, Kenji; Taniguchi, Takashi; Jarillo-Herrero, Pablo

Under mesoscopic conditions, strong electron-electron interactions and weak electron-phonon coupling in graphene lead to hydrodynamic behavior of electrons, resulting in unusual and unexpected transport phenomena. Specifically, this hydrodynamical collective cooperation of electrons is predicted to enhance the flow of electrical current, leading to a striking higher-than-ballistic conductance through a narrow geometrical constriction. To access the hydrodynamic regime, we fabricated high-quality, low-disorder graphene nano-constriction devices encapsulated by hexagonal boron nitride, where electron-electron scattering dominates impurity scattering. We will report on our systematic four-probe conductance measurements on devices with different constriction widths as a function of number density and temperature. The observation of quantum transport phenomena that are inconsistent with the non-interacting ballistic free-fermion model would suggest a macroscopic transport signature of electron viscosity.

Compliant energy and momentum conservation in NEGF simulation of electron-phonon scattering in semiconductor nano-wire transistors

NASA Astrophysics Data System (ADS)

Barker, J. R.; Martinez, A.; Aldegunde, M.

2012-05-01

The modelling of spatially inhomogeneous silicon nanowire field-effect transistors has benefited from powerful simulation tools built around the Keldysh formulation of non-equilibrium Green function (NEGF) theory. The methodology is highly efficient for situations where the self-energies are diagonal (local) in space coordinates. It has thus been common practice to adopt diagonality (locality) approximations. We demonstrate here that the scattering kernel that controls the self-energies for electron-phonon interactions is generally non-local on the scale of at least a few lattice spacings (and thus within the spatial scale of features in extreme nano-transistors) and for polar optical phonon-electron interactions may be very much longer. It is shown that the diagonality approximation strongly under-estimates the scattering rates for scattering on polar optical phonons. This is an unexpected problem in silicon devices but occurs due to strong polar SO phonon-electron interactions extending into a narrow silicon channel surrounded by high kappa dielectric in wrap-round gate devices. Since dissipative inelastic scattering is already a serious problem for highly confined devices it is concluded that new algorithms need to be forthcoming to provide appropriate and efficient NEGF tools.

Electronic structure and magnetic anisotropy of L1{sub 0}-FePt thin film studied by hard x-ray photoemission spectroscopy and first-principles calculations

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

Ueda, S.; Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, Sayo, Hyogo 679-5148; Mizuguchi, M.

2016-07-25

We have studied the electronic structure of the L1{sub 0} ordered FePt thin film by hard x-ray photoemission spectroscopy (HAXPES), cluster model, and first-principles calculations to investigate the relationship between the electronic structure and perpendicular magneto-crystalline anisotropy (MCA). The Fe 2p core-level HAXPES spectrum of the ordered film revealed the strong electron correlation in the Fe 3d states and the hybridization between the Fe 3d and Pt 5d states. By comparing the experimental valence band structure with the theoretical density of states, the strong electron correlation in the Fe 3d states modifies the valence band electronic structure of the L1{submore » 0} ordered FePt thin film through the Fe 3d-Pt 5d hybridization. These results strongly suggest that the strong electron correlation effect in the Fe 3d states and the Fe 3d-Pt 5d hybridization as well as the spin-orbit interaction in the Pt 5d states play important roles in the perpendicular MCA for L1{sub 0}-FePt.« less

Observation of van Hove Singularities in Twisted Silicene Multilayers

PubMed Central

2016-01-01

Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter’s butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp2 and sp3 hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material. PMID:27610412

Far-infrared response of spherical quantum dots: Dielectric effects and the generalized Kohn's theorem

NASA Astrophysics Data System (ADS)

Movilla, J. L.; Planelles, J.

2007-05-01

The influence of the dielectric environment on the far-infrared (FIR) absorption spectra of two-electron spherical quantum dots is theoretically studied. Effective mass and envelope function approaches with realistic steplike confining potentials are used. Special attention is paid to absorptions that are induced by the electron-electron interaction. High confining barriers make the FIR absorption coefficients almost independent of the quantum dot dielectric environment. Low barrier heights and strong dielectric mismatches preserve the strong fundamental (Kohn) mode but yield the cancellation of excited absorptions, thus monitoring dielectrically induced phase transitions from volume to surface states.

Strong interaction between electrons and collective excitations in the multiband superconductor MgB 2

DOE PAGES

Mou, Daixiang; Jiang, Rui; Taufour, Valentin; ...

2015-04-08

We use a tunable laser angle-resolved photoemission spectroscopy to study the electronic properties of the prototypical multiband BCS superconductor MgB 2. Our data reveal a strong renormalization of the dispersion (kink) at ~65meV, which is caused by the coupling of electrons to the E 2g phonon mode. In contrast to cuprates, the 65 meV kink in MgB 2 does not change significantly across T c. More interestingly, we observe strong coupling to a second, lower energy collective mode at a binding energy of 10 meV. As a result, this excitation vanishes above T c and is likely a signature ofmore » the elusive Leggett mode.« less

Non-metal spintronics: study of spin-dependent transport in InSb- and InAs-based nanopatterned heterostructures

NASA Astrophysics Data System (ADS)

Heremans, J. J.; Chen, Hong; Peters, J. A.; Goel, N.; Chung, S. J.; Santos, M. B.; van Roy, W.; Borghs, G.

2006-03-01

Spin-orbit interaction in semiconductor heterostructures can lead to various spin-dependent electronic transport effects without the presence of magnetic materials. Mesoscopic samples were fabricated on InSb/InAlSb and InAs/AlGaSb two-dimensional electron systems, where spin-orbit interaction is strong. In mesoscopic devices, the effects of spin-orbit interaction are not averaged out over the geometry, and lead to observable electronic properties. We experimentally demonstrate spin-split ballistic transport and the creation of fully spin-polarized electron beams using spin-dependent reflection geometries and transverse magnetic focusing geometries. Spin-dependent transport properties in the semiconductor materials are also investigated using antidot lattices. Spin-orbit interaction effects in high-mobility semiconductor devices may be utilized toward the design of novel spintronics implementations. We acknowledge NSF DMR-0094055 (JJH), DMR-0080054, DMR-0209371 (MBS).

Negligible Electronic Interaction between Photoexcited Electron-Hole Pairs and Free Electrons in Phosphorus-Boron Co-Doped Silicon Nanocrystals

DOE PAGES

Limpens, Rens; Neale, Nathan R; Fujii, Minoru; ...

2018-03-05

Phosphorus (P) and boron (B) co-doped Si nanocrystals (NCs) have raised interest in the optoelectronic industry due to their electronic tunability, optimal carrier multiplication properties, and straightforward dispersibility in polar solvents. Yet a basic understanding of the interaction of photoexcited electron-hole (e-h) pairs with new physical features that are introduced by the co-doping process (free carriers, defect states, and surface chemistry) is missing. Here, we present the first study of the ultrafast carrier dynamics in SiO2-embedded P-B co-doped Si NC ensembles using induced absorption spectroscopy through a two-step approach. First, the induced absorption data show that the large fraction ofmore » the dopants residing on the NC surface slows down carrier relaxation dynamics within the first 20 ps relative to intrinsic (undoped) Si NCs, which we interpret as enhanced surface passivation. On longer time-scales (picosecond to nanosecond regime), we observe a speeding up of the carrier relaxation dynamics and ascribe it to doping-induced trap states. This argument is deduced from the second part of the study, where we investigate multiexciton interactions. From a stochastic modeling approach we show that localized carriers, which are introduced by the P or B dopants, have minor electronic interactions with the photoexcited e-h pairs. This is understood in light of the strong localization of the introduced carriers on their original P- or B-dopant atoms, due to the strong quantum confinement regime in these relatively small NCs (<6 nm).« less

NMR detects molecular interactions of graphene with aromatic and aliphatic hydrocarbons in water

NASA Astrophysics Data System (ADS)

Bichenkova, Elena V.; Raju, Arun P. A.; Burusco, Kepa K.; Kinloch, Ian A.; Novoselov, Kostya S.; Clarke, David J.

2018-03-01

Polyaromatic carbon is widely held to be strongly diamagnetic and hydrophobic, with textbook van der Waals and ‘π-stacked’ binding of hydrocarbons, which disrupt their self-assembled supramolecular structures. The NMR of organic molecules sequestered by polyaromatic carbon is expected to be dominated by shielding from the orbital diamagnetism of π electrons. We report the first evidence of very different polar and magnetic behavior in water, wherein graphene remained well-dispersed after extensive dialysis and behaved as a 1H-NMR-silent ghost. Magnetic effects dominated the NMR of organic structures which interacted with graphene, with changes in spin-spin coupling, vast increase in relaxation, line broadening and decrease in NMR peak heights when bound to graphene. However, the interactions were weak, reversible and did not disrupt organic self-assemblies reliant on hydrophobic ‘π-stacking’, even when substantially sequestered on the surface of graphene by the high surface area available. Interacting assemblies of aromatic molecules retained their strongly-shielded NMR signals and remained within self-assembled structures, with slower rates of diffusion from association with graphene, but with no further shielding from graphene. Binding to graphene was selective for positively-charged organic assemblies, weaker for non-aromatic and negligible for strongly-negatively-charged molecules, presumably repelled by a negative zeta potential of graphene in water. Stronger binders, or considerable excess of weaker binders readily reversed physisorption, with no evidence of structural changes from chemisorption. The fundamental nature of these different electronic interactions between organic and polyaromatic carbon is considered with relevance to electronics, charge storage, sensor, medical, pharmaceutical and environmental research.

Theory of relativistic radiation reflection from plasmas

NASA Astrophysics Data System (ADS)

Gonoskov, Arkady

2018-01-01

We consider the reflection of relativistically strong radiation from plasma and identify the physical origin of the electrons' tendency to form a thin sheet, which maintains its localisation throughout its motion. Thereby, we justify the principle of relativistic electronic spring (RES) proposed in [Gonoskov et al., Phys. Rev. E 84, 046403 (2011)]. Using the RES principle, we derive a closed set of differential equations that describe the reflection of radiation with arbitrary variation of polarization and intensity from plasma with an arbitrary density profile for an arbitrary angle of incidence. We confirm with ab initio PIC simulations that the developed theory accurately describes laser-plasma interactions in the regime where the reflection of relativistically strong radiation is accompanied by significant, repeated relocation of plasma electrons. In particular, the theory can be applied for the studies of plasma heating and coherent and incoherent emissions in the RES regime of high-intensity laser-plasma interaction.

Nodal-line pairing with 1D-3D coupled Fermi surfaces: A model motivated by Cr-based superconductors

NASA Astrophysics Data System (ADS)

Wachtel, Gideon; Kim, Yong Baek

2016-09-01

Motivated by the recent discovery of a new family of chromium-based superconductors, we consider a two-band model, where a band of electrons dispersing only in one direction interacts with a band of electrons dispersing in all three directions. Strong 2 kf density fluctuations in the one-dimensional band induces attractive interactions between the three-dimensional electrons, which, in turn, makes the system superconducting. Solving the associated Eliashberg equations, we obtain a gap function which is peaked at the "poles" of the three-dimensional Fermi sphere, and decreases towards the "equator." When strong enough local repulsion is included, the gap actually changes sign around the equator and nodal rings are formed. These nodal rings manifest themselves in several experimentally observable quantities, some of which resemble unconventional observations in the newly discovered superconductors which motivated this work.

The happy marriage between electron-phonon superconductivity and Mott physics in Cs3C60: A first-principle phase diagram

NASA Astrophysics Data System (ADS)

Capone, Massimo; Nomura, Yusuke; Sakai, Shiro; Giovannetti, Gianluca; Arita, Ryotaro

The phase diagram of doped fullerides like Cs3C60 as a function of the spacing between fullerene molecules is characterized by a first-order transition between a Mott insulator and an s-wave superconductor with a dome-shaped behavior of the critical temperature. By means of an ab-initio modeling of the bandstructure, the electron-phonon interaction and the interaction parameter and a Dynamical Mean-Field Theory solution, we reproduce the phase diagram and demonstrate that phonon superconductivity benefits from strong correlations confirming earlier model predictions. The role of correlations is manifest also in infrared measurements carried out by L. Baldassarre. The superconducting phase shares many similarities with ''exotic'' superconductors with electronic pairing, suggesting that the anomalies in the ''normal'' state, rather than the pairing glue, can be the real common element unifying a wide family of strongly correlated superconductors including cuprates and iron superconductors

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

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

Klinkusch, Stefan; Tremblay, Jean Christophe

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electronmore » ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.« less

Enhanced hot-electron production and strong-shock generation in hydrogen-rich ablators for shock ignition

NASA Astrophysics Data System (ADS)

Theobald, W.; Bose, A.; Yan, R.; Betti, R.; Lafon, M.; Mangino, D.; Christopherson, A. R.; Stoeckl, C.; Seka, W.; Shang, W.; Michel, D. T.; Ren, C.; Nora, R. C.; Casner, A.; Peebles, J.; Beg, F. N.; Ribeyre, X.; Llor Aisa, E.; Colaïtis, A.; Tikhonchuk, V.; Wei, M. S.

2017-12-01

Experiments were performed with CH, Be, C, and SiO2 ablators interacting with high-intensity UV laser radiation (5 × 1015 W/cm2, λ = 351 nm) to determine the optimum material for hot-electron production and strong-shock generation. Significantly more hot electrons are produced in CH (up to ˜13% instantaneous conversion efficiency), while the amount is a factor of ˜2 to 3 lower in the other ablators. A larger hot-electron fraction is correlated with a higher effective ablation pressure. The higher conversion efficiency in CH is attributed to stronger damping of ion-acoustic waves because of the presence of light H ions.

Earle K. Plyler Prize Lecture: The Three Pillars of Ultrafast Molecular Science - Time, Phase, Intensity

NASA Astrophysics Data System (ADS)

Stolow, Albert

We discuss the probing and control of molecular wavepacket dynamics in the context of three main `pillars' of light-matter interaction: time, phase, intensity. Time: Using short, coherent laser pulses and perturbative matter-field interactions, we study molecular wavepackets with a focus on the ultrafast non-Born-Oppenheimer dynamics, that is, the coupling of electronic and nuclear motions. Time-Resolved Photoelectron Spectroscopy (TRPES) is a powerful ultrafast probe of these processes in polyatomic molecules because it is sensitive both electronic and vibrational dynamics. Ideally, one would like to observe these ultrafast processes from the molecule's point of view - the Molecular Frame - thereby avoiding loss of information due to orientational averaging. This can be achieved by Time-Resolved Coincidence Imaging Spectroscopy (TRCIS) which images 3D recoil vectors of both photofragments and photoelectrons, in coincidence and as a function of time, permitting direct Molecular Frame imaging of valence electronic dynamics during a molecular dynamics. Phase: Using intermediate strength non-perturbative interactions, we apply the second order (polarizability) Non-Resonant Dynamic Stark Effect (NRDSE) to control molecular dynamics without any net absorption of light. NRDSE is also the interaction underlying molecular alignment and applies to field-free 1D of linear molecules and field-free 3D alignment of general (asymmetric) molecules. Using laser alignment, we can transiently fix a molecule in space, yielding a more general approach to direct Molecular Frame imaging of valence electronic dynamics during a chemical reaction. Intensity: In strong (ionizing) laser fields, a new laser-matter physics emerges for polyatomic systems wherein both the single active electron picture and the adiabatic electron response, both implicit in the standard 3-step models, can fail dramatically. This has important consequences for all attosecond strong field spectroscopies of polyatomic molecules, including high harmonic generation (HHG). We discuss an experimental method, Channel-Resolved Above Threshold Ionization (CRATI), which directly unveils the electronic channels participating in the attosecond molecular strong field ionization response [10]. This work was supported by the National Research Council of Canada and the Natural Sciences & Engineering Research Council.

Comet giacobini-zinner: plasma description.

PubMed

Bame, S J; Anderson, R C; Asbridge, J R; Baker, D N; Feldman, W C; Fuselier, S A; Gosling, J T; McComas, D J; Thomsen, M F; Young, D T; Zwickl, R D

1986-04-18

A strong interaction between the solar wind and comet Giacobini-Zinner was observed oh 11 September 1985 with the Los Alamos plasma electron experiment on the International Cometary Explorer (ICE) spacecraft. As ICE approached an intercept point 7800 kilometers behind the nucleus from the south and receded to the north, upstream phenomena due to the comet were observed. Periods of enhanced electron heat flux from the comet as well as almost continuous electron density fluctuations were measured. These effects are related to the strong electron heating observed in the cometary interaction region and to cometary ion pickup by the solar wind, respectively. No evidence for a conventional bow shock was found as ICE entered and exited the regions of strongest interaction of the solar wind with the cometary environment. The outer extent of this strong interaction zone was a transition region in which the solar wind plasma was heated, compressed, and slowed. Inside the inner boundary of the transition region was a sheath that enclosed a cold intermediate coma. In the transition region and sheath, small-scale enhancements in density were observed. These density spikes may be due to an instability associated with cometary ion pickup or to the passage of ICE through cometary ray structures. In the center of the cold intermediate coma a narrow, high-density core of plasma, presumably the developing plasma tail was found. In some ways this tail can be compared to the plasma sheet in Earth's magnetotail and to the current sheet in the tail at Venus. This type of configuration is expected in the double-lobe magnetic topology detected at the comet, possibly caused by the theoretically expected draping of the interplanetary magnetic field around its ionosphere.

Quantum transport through a deformable molecular transistor

NASA Astrophysics Data System (ADS)

Cornaglia, P. S.; Grempel, D. R.; Ness, H.

2005-02-01

The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy levels and of the tunneling barrier between the molecule and the electrodes. When both effects are present they lead to asymmetries in the dependence of the conductance on gate voltage. The Kondo effect is observed in the presence of electron-phonon interactions. There are important qualitative differences between the cases of weak and strong coupling. In the first case the standard Kondo effect driven by spin fluctuations occurs. In the second case, it is driven by charge fluctuations. The Fermi-liquid relation between the spectral density of the molecule and its charge is altered by electron-phonon interactions. Remarkably, the relation between the zero-temperature conductance and the charge remains unchanged. Therefore, there is perfect transmission in all regimes whenever the average number of electrons in the molecule is an odd integer.

Orbital disproportionation of electronic density is a universal feature of alkali-doped fullerides

PubMed Central

Iwahara, Naoya; Chibotaru, Liviu F.

2016-01-01

Alkali-doped fullerides show a wide range of electronic phases in function of alkali atoms and the degree of doping. Although the presence of strong electron correlations is well established, recent investigations also give evidence for dynamical Jahn–Teller instability in the insulating and the metallic trivalent fullerides. In this work, to reveal the interplay of these interactions in fullerides with even electrons, we address the electronic phase of tetravalent fulleride with accurate many-body calculations within a realistic electronic model including all basic interactions extracted from first principles. We find that the Jahn–Teller instability is always realized in these materials too. In sharp contrast to the correlated metals, tetravalent system displays uncorrelated band-insulating state despite similar interactions present in both fullerides. Our results show that the Jahn–Teller instability and the accompanying orbital disproportionation of electronic density in the degenerate lowest unoccupied molecular orbital band is a universal feature of fullerides. PMID:27713426

Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System: Modeling Ion Outflow

NASA Astrophysics Data System (ADS)

Schunk, R. W.; Barakat, A. R.; Eccles, V.; Karimabadi, H.; Omelchenko, Y.; Khazanov, G. V.; Glocer, A.; Kistler, L. M.

2014-12-01

A Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System is being developed in order to provide a rigorous approach to modeling the interaction of hot and cold particle interactions. The framework will include ion and electron kinetic species in the ionosphere, plasmasphere and polar wind, and kinetic ion, super-thermal electron and fluid electron species in the magnetosphere. The framework is ideally suited to modeling ion outflow from the ionosphere and plasmasphere, where a wide range for fluid and kinetic processes are important. These include escaping ion interactions with (1) photoelectrons, (2) cusp/auroral waves, double layers, and field-aligned currents, (3) double layers in the polar cap due to the interaction of cold ionospheric and hot magnetospheric electrons, (4) counter-streaming ions, and (5) electromagnetic wave turbulence. The kinetic ion interactions are particularly strong during geomagnetic storms and substorms. The presentation will provide a brief description of the models involved and discuss the effect that kinetic processes have on the ion outflow.

Competing phases and orbital-selective behaviors in the two-orbital Hubbard-Holstein model

NASA Astrophysics Data System (ADS)

Li, Shaozhi; Khatami, Ehsan; Johnston, Steven

2017-03-01

We study the interplay between the electron-electron (e-e) and the electron-phonon (e-ph) interactions in the two-orbital Hubbard-Holstein model at half-filling using the dynamical mean-field theory. We find that the e-ph interaction, even at weak couplings, strongly modifies the phase diagram of this model and introduces an orbital-selective Peierls insulating phase (OSPI) that is analogous to the widely studied orbital-selective Mott phase (OSMP). At small e-e and e-ph couplings, we find a competition between the OSMP and the OSPI, while at large couplings, a competition occurs between Mott and charge-density-wave (CDW) insulating phases. We further demonstrate that the Hund's coupling influences the OSPI transition by lowering the energy associated with the CDW. Our results explicitly show that one must be cautious when neglecting the e-ph interaction in multiorbital systems, where multiple electronic interactions create states that are readily influenced by perturbing interactions.

Majorana Kramers pairs in Rashba double nanowires with interactions and disorder

NASA Astrophysics Data System (ADS)

Thakurathi, Manisha; Simon, Pascal; Mandal, Ipsita; Klinovaja, Jelena; Loss, Daniel

2018-01-01

We analyze the effects of electron-electron interactions and disorder on a Rashba double-nanowire setup coupled to an s -wave superconductor, which has been recently proposed as a versatile platform to generate Kramers pairs of Majorana bound states in the absence of magnetic fields. We identify the regime of parameters for which these Kramers pairs are stable against interaction and disorder effects. We use bosonization, perturbative renormalization group, and replica techniques to derive the flow equations for various parameters of the model and evaluate the corresponding phase diagram with topological and disorder-dominated phases. We confirm aforementioned results by considering a more microscopic approach, which starts from the tunneling Hamiltonian between the three-dimensional s -wave superconductor and the nanowires. We find again that the interaction drives the system into the topological phase and, as the strength of the source term coming from the tunneling Hamiltonian increases, strong electron-electron interactions are required to reach the topological phase.

Activation of the SN2 Reaction by Adjacent π Systems: The Critical Role of Electrostatic Interactions and of Dissociative Character.

PubMed

Robiette, Raphaël; Trieu-Van, Tran; Aggarwal, Varinder K; Harvey, Jeremy N

2016-01-27

The activation of the SN2 reaction by π systems is well documented in textbooks. It has been shown previously that this is not primarily due to classical (hyper)conjugative effects. Instead, π-conjugated substituents enhance favorable substrate-nucleophile electrostatic interactions, with electron-withdrawing groups (EWG) on the sp(2) system leading to even stronger activation. Herein we report computational and experimental results which show that this activation by sp(2) EWG-substitution only occurs in a fairly limited number of cases, when the nucleophile involves strong electrostatic interactions (usually strongly basic negatively charged nucleophiles). In other cases, where bond breaking is more advanced than bond making at the transition state, electrophile-nucleophile electrostatic interactions are less important. In such cases, (hyper)conjugative electronic effects determine the reactivity, and EWG-substitution leads to decreased reactivity. The basicity of the nucleophile as well as solvent effects can help to determine which of these two regimes occurs for a given electrophile.

Electronic Zero-Point Oscillations in the Strong-Interaction Limit of Density Functional Theory.

PubMed

Gori-Giorgi, Paola; Vignale, Giovanni; Seidl, Michael

2009-04-14

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0 (Kohn-Sham system) and 1 (physical system). In this process, usually called adiabatic connection, the one-electron density is kept fixed by a suitable local one-body potential. The strong-interaction limit of density functional theory, defined as the limit λ→∞, turns out to be like the opposite noninteracting Kohn-Sham limit (λ→0) mathematically simpler than the physical (λ = 1) case and can be used to build an approximate interpolation formula between λ→0 and λ→∞ for the exchange-correlation energy. Here we extend the systematic treatment of the λ→∞ limit [Phys. Rev. A 2007, 75, 042511] to the next leading term, describing zero-point oscillations of strictly correlated electrons, with numerical examples for small spherical atoms. We also propose an improved approximate functional for the zero-point term and a revised interpolation formula for the exchange-correlation energy satisfying more exact constraints.

Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction

NASA Astrophysics Data System (ADS)

Li, J.; Tan, L. Z.; Zou, K.; Stabile, A. A.; Seiwell, D. J.; Watanabe, K.; Taniguchi, T.; Louie, Steven G.; Zhu, J.

2016-10-01

In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi-liquid parameters, such as the effective mass of carriers. We combine experiment and theory to study the effective masses of electrons and holes me* and mh* in bilayer graphene in the low carrier density regime on the order of 1 ×1011c m-2 . Measurements use temperature-dependent low-field Shubnikov-de Haas oscillations observed in high-mobility hexagonal boron nitride supported samples. We find that while me* follows a tight-binding description in the whole density range, mh* starts to drop rapidly below the tight-binding description at a carrier density of n =6 ×1011c m-2 and exhibits a strong suppression of 30% when n reaches 2 ×1011c m-2 . Contributions from the electron-electron interaction alone, evaluated using several different approximations, cannot explain the experimental trend. Instead, the effect of the potential fluctuation and the resulting electron-hole puddles play a crucial role. Calculations including both the electron-electron interaction and disorder effects explain the experimental data qualitatively and quantitatively. This Rapid Communication reveals an unusual disorder effect unique to two-dimensional semimetallic systems.

Control of electron-lattice interaction in organic nanoclusters

NASA Astrophysics Data System (ADS)

Malyukin, Yu. V.; Gnap, B. A.; Sorokin, A. V.; Yefimova, S. L.

2012-10-01

In this study we demonstrate that the electron-lattice interaction (ELI) could be controlled by changing exciton delocalization length in ordered organic nanoclusters called J-aggregates. Particularly it could be done via the J-aggregates solvate shell manipulation using surfactants. The strong correlation between the J-aggregates luminescence quantum yield and the ELI strength has been reviled that allows us to consider the exciton self-trapping as the main mechanism of the J-aggregates luminescence losses.

Revealing the synergetic effects in Ni nanoparticle-carbon nanotube hybrids by scanning transmission X-ray microscopy and their application in the hydrolysis of ammonia borane.

PubMed

Zhao, Guanqi; Zhong, Jun; Wang, Jian; Sham, Tsun-Kong; Sun, Xuhui; Lee, Shuit-Tong

2015-06-07

The hybrids of carbon nanotubes (CNTs) and the supported Ni nanoparticles (NPs) have been studied by scanning transmission X-ray microscopy (STXM) and tested by the hydrolysis reaction of ammonia borane (AB, NH3BH3). Data clearly showed the existence of a strong interaction between Ni NPs and thin CNTs (C-O-Ni bonds), which favored the tunable (buffer) electronic structure of Ni NPs facilitating the catalytic process. The hydrolysis process of AB confirmed the hypothesis that the hybrids with a strong interfacial interaction would show superior catalytic performance, while the hybrids with a weak interfacial interaction show poor performance. Our results provide a wealth of detailed information regarding the electronic structure of the NP-CNT hybrids and provide guidance towards the rational design of high-performance catalysts for energy applications.

Auxiliary-Field Quantum Monte Carlo Simulations of Strongly-Correlated Systems, the Final Report

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

Chang, C.

In this final report, we present preliminary results of ground state phases of interacting spinless Dirac fermions. The name "Dirac fermion" originates from the fact that low-energy excitations of electrons hopping on the honeycomb lattice are described by a relativistic Dirac equation. Dirac fermions have received much attention particularly after the seminal work of Haldale1 which shows that the quantum Hall physics can be realized on the honeycomb lattice without magnetic fields. Haldane's work later becomes the foundation of topological insulators (TIs). While the physics of TIs is based largely on spin-orbit coupled non-interacting electrons, it was conjectured that topologicalmore » insulators can be induced by strong correlations alone.« less

Effect of an MLT dependent electron loss rate on the magnetosphere-ionosphere coupling

NASA Astrophysics Data System (ADS)

Gkioulidou, Matina; Wang, Chih-Ping; Wing, Simon; Lyons, Larry R.; Wolf, Richard A.; Hsu, Tung-Shin

2012-11-01

As plasma sheet electrons drift earthward, they get scattered into the loss cone due to wave-particle interactions and the resulting precipitation produces auroral conductance. Realistic electron loss is thus important for modeling the magnetosphere - ionosphere (M-I) coupling and the degree of plasma sheet electron penetration into the inner magnetosphere. In order to evaluate the significance of electron loss, we used the Rice Convection Model (RCM) coupled with a force-balanced magnetic field to simulate plasma sheet transport under different electron loss rates and under self-consistent electric and magnetic field. We used different magnitudes of i) strong pitch angle diffusion everywhere electron loss rate (strong rate) and ii) a more realistic loss rate with its MLT dependence determined by wave activity (MLT rate). We found that electron pressure under the MLT rate is larger compared to the strong rate inside L ∼ 12 RE. The dawn-dusk asymmetry in the precipitating electron energy flux under the MLT rate, with much higher energy flux at dawn than at dusk, agrees better with statistical DMSP observations. High-energy electrons inside L ∼ 8 RE can remain there for many hours under the MLT rate, while those under the strong rate get lost within minutes. Under the MLT rate, the remaining electrons cause higher conductance at lower latitudes; thus after a convection enhancement, the shielding of the convection electric field is less efficient, and as a result, the ion plasma sheet penetrates further earthward into the inner magnetosphere than under the strong rate.

Electromagnetic Dissociation and Spacecraft Electronics Damage

NASA Technical Reports Server (NTRS)

Norbury, John W.

2016-01-01

When protons or heavy ions from galactic cosmic rays (GCR) or solar particle events (SPE) interact with target nuclei in spacecraft, there can be two different types of interactions. The more familiar strong nuclear interaction often dominates and is responsible for nuclear fragmentation in either the GCR or SPE projectile nucleus or the spacecraft target nucleus. (Of course, the proton does not break up, except possibly to produce pions or other hadrons.) The less familiar, second type of interaction is due to the very strong electromagnetic fields that exist when two charged nuclei pass very close to each other. This process is called electromagnetic dissociation (EMD) and primarily results in the emission of neutrons, protons and light ions (isotopes of hydrogen and helium). The cross section for particle production is approximately defined as the number of particles produced in nucleus-nucleus collisions or other types of reactions. (There are various kinematic and other factors which multiply the particle number to arrive at the cross section.) Strong, nuclear interactions usually dominate the nuclear reactions of most interest that occur between GCR and target nuclei. However, for heavy nuclei (near Fe and beyond) at high energy the EMD cross section can be much larger than the strong nuclear interaction cross section. This paper poses a question: Are there projectile or target nuclei combinations in the interaction of GCR or SPE where the EMD reaction cross section plays a dominant role? If the answer is affirmative, then EMD mechanisms should be an integral part of codes that are used to predict damage to spacecraft electronics. The question can become more fine-tuned and one can ask about total reaction cross sections as compared to double differential cross sections. These issues will be addressed in the present paper.

Strong coupling of a single electron in silicon to a microwave photon

NASA Astrophysics Data System (ADS)

Mi, Xiao; Cady, Jeffrey; Zajac, David; Petta, Jason

We demonstrate a hybrid circuit quantum electrodynamics (cQED) architecture in which a single electron in a Si/SiGe double quantum dot is dipole-coupled to the electric field of microwave photons in a superconducting cavity. Vacuum Rabi splitting is observed in the cavity transmission when the transition energy of the single-electron charge qubit matches that of a cavity photon, demonstrating that our device is in the strong coupling regime. The achievement of strong coupling is largely facilitated by an exceptionally low charge decoherence rate of 5 MHz and paves the way toward a wide range of cQED experiments with quantum dots, such as non-local qubit interactions, strong spin-cavity coupling and single photon generation . Research sponsored by ARO Grant No. W911NF-15-1-0149, the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF4535, and the NSF (DMR-1409556 and DMR-1420541).

Field propagation-induced directionality of carrier-envelope phase-controlled photoemission from nanospheres

PubMed Central

Süßmann, F.; Seiffert, L.; Zherebtsov, S.; Mondes, V.; Stierle, J.; Arbeiter, M.; Plenge, J.; Rupp, P.; Peltz, C.; Kessel, A.; Trushin, S. A.; Ahn, B.; Kim, D.; Graf, C.; Rühl, E.; Kling, M. F.; Fennel, T.

2015-01-01

Near-fields of non-resonantly laser-excited nanostructures enable strong localization of ultrashort light fields and have opened novel routes to fundamentally modify and control electronic strong-field processes. Harnessing spatiotemporally tunable near-fields for the steering of sub-cycle electron dynamics may enable ultrafast optoelectronic devices and unprecedented control in the generation of attosecond electron and photon pulses. Here we utilize unsupported sub-wavelength dielectric nanospheres to generate near-fields with adjustable structure and study the resulting strong-field dynamics via photoelectron imaging. We demonstrate field propagation-induced tunability of the emission direction of fast recollision electrons up to a regime, where nonlinear charge interaction effects become dominant in the acceleration process. Our analysis supports that the timing of the recollision process remains controllable with attosecond resolution by the carrier-envelope phase, indicating the possibility to expand near-field-mediated control far into the realm of high-field phenomena. PMID:26264422

Field propagation-induced directionality of carrier-envelope phase-controlled photoemission from nanospheres.

PubMed

Süßmann, F; Seiffert, L; Zherebtsov, S; Mondes, V; Stierle, J; Arbeiter, M; Plenge, J; Rupp, P; Peltz, C; Kessel, A; Trushin, S A; Ahn, B; Kim, D; Graf, C; Rühl, E; Kling, M F; Fennel, T

2015-08-12

Near-fields of non-resonantly laser-excited nanostructures enable strong localization of ultrashort light fields and have opened novel routes to fundamentally modify and control electronic strong-field processes. Harnessing spatiotemporally tunable near-fields for the steering of sub-cycle electron dynamics may enable ultrafast optoelectronic devices and unprecedented control in the generation of attosecond electron and photon pulses. Here we utilize unsupported sub-wavelength dielectric nanospheres to generate near-fields with adjustable structure and study the resulting strong-field dynamics via photoelectron imaging. We demonstrate field propagation-induced tunability of the emission direction of fast recollision electrons up to a regime, where nonlinear charge interaction effects become dominant in the acceleration process. Our analysis supports that the timing of the recollision process remains controllable with attosecond resolution by the carrier-envelope phase, indicating the possibility to expand near-field-mediated control far into the realm of high-field phenomena.

Cyclotron resonance of interacting quantum Hall droplets

NASA Astrophysics Data System (ADS)

Widmann, M.; Merkt, U.; Cortés, M.; Häusler, W.; Eberl, K.

1998-06-01

The line shape and position of cyclotron resonance in gated GaAs/GaAlAs heterojunctions with δ-doped layers of negatively charged beryllium acceptors, that provide strong potential fluctuations in the channels of the quasi-two-dimensional electron systems, are examined. Specifically, the magnetic quantum limit is considered when the electrons are localized in separate quantum Hall droplets in the valleys of the disorder potential. A model treating disorder and electron-electron interaction on an equal footing accounts for all of the principal experimental findings: blue shifts from the unperturbed cyclotron frequency that decrease when the electron density is reduced, surprisingly narrow lines in the magnetic quantum limit, and asymmetric lines due to additional oscillator strength on their high-frequency sides.

Effects of Radiation Damping in Extreme Ultra-intense Laser-Plasma Interaction

NASA Astrophysics Data System (ADS)

Pandit, Rishi R.

Recent advances in the development of intense short pulse lasers are significant. Now it is available to access a laser with intensity 1021W/cm2 by focusing a petawatt class laser. In a few years, the intensity will exceed 1022W/cm2 , at which intensity electrons accelerated by the laser get energy more than 100 MeV and start to emit radiation strongly. Resultingly, the damping of electron motion can become large. In order to study this problem, we developed a code to solve a set of equations describing the evolution of a strong electromagnetic wave interacting with a single electron. Usually the equation of motion of an electron including radiation damping under the influence of electromagnetic fields is derived from the Lorentz-Dirac equation treating the damping as a perturbation. So far people had used the first order damping equation. This is because the second order term seems to be small and actually it is negligible under 1022W/cm2 intensity. The derivation of 2nd order equation is also complicated and challenging. We derived the second order damping equations for the first time and implemented in the code. The code was then tested via single particle motion in the extreme intensity laser. It was found that the 1st order damping term is reasonable up to the intensity 1022W/cm2, but the 2nd oder term becomes not negligible and comparable in magnitude to the first order term beyond 1023W/cm2. The radiation damping model was introduced using a one-dimensional particle-in-cell code (PIC), and tested in the laser-plasma interaction at extreme intensity. The strong damping of hot electrons in high energy tail was demonstrated in PIC simulations.

Return currents in solar flares - Collisionless effects

NASA Technical Reports Server (NTRS)

Rowland, H. L.; Vlahos, L.

1985-01-01

If the primary, precipitating electrons in a solar flare are unstable to beam plasma interactions, it is shown that strong Langmuir turbulence can seriously modify the way in which a return current is carried by the background plasma. In particular, the return (or reverse) current will not be carried by the bulk of the electrons, but by a small number of high velocity electrons. For beam/plasma densities greater than 0.01, this can reduce the effects of collisions on the return current. For higher density beams where the return current could be unstable to current driven instabilities, the effects of strong turbulence anomalous resistivity is shown to prevent the appearance of such instabilities. Again in this regime, how the return current is carried is determined by the beam generated strong turbulence.

a Theoretical Search for AN Electronic Spectrum of the He-BeO Complex

NASA Astrophysics Data System (ADS)

Gardner, Adrian; Heaven, Michael

2014-06-01

The surprisingly high dissociation energy of the He-Be bond in the He-BeO complex was first reported 25 years ago. Following which, a number of theoretical studies have investigated similar closed shell helium containing complexes. However, despite these investigations, a complex containing a strong He-X bond has thus far eluded experimental detection. In this work, potential energy surfaces of electronically excited states of the He-BeO complex have been calculated employing high level CASSCF+MRCI+Q methodologies and utilizing extended basis sets. Several excited states show strong interactions between helium and BeO lying in Franck-Condon accessible windows of electronic transitions arising from the vibrationless electronic ground state. It is hoped that the conclusions of this study will result in the observation an electronic spectrum of this long hypothesized strongly bound complex in the near future. W. Koch, J. R. Collins and G. Frenking, Chem. Phys. Lett. 1986, 132 330-333.

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.

Low Temperature Plasma Science: Not Only the Fourth State of Matter but All of Them. Report of the Department of Energy Office of Fusion Energy Sciences Workshop on Low Temperature Plasmas, March 25-57, 2008

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

None

2008-09-01

Low temperature plasma science (LTPS) is a field on the verge of an intellectual revolution. Partially ionized plasmas (often referred to as gas discharges) are used for an enormous range of practical applications, from light sources and lasers to surgery and making computer chips, among many others. The commercial and technical value of low temperature plasmas (LTPs) is well established. Modern society would simply be less advanced in the absence of LTPs. Much of this benefit has resulted from empirical development. As the technology becomes more complex and addresses new fields, such as energy and biotechnology, empiricism rapidly becomes inadequatemore » to advance the state of the art. The focus of this report is that which is less well understood about LTPs - namely, that LTPS is a field rich in intellectually exciting scientific challenges and that addressing these challenges will result in even greater societal benefit by placing the development of plasma technologies on a solid science foundation. LTPs are unique environments in many ways. Their nonequilibrium and chemically active behavior deviate strongly from fully ionized plasmas, such as those found in magnetically confined fusion or high energy density plasmas. LTPs are strongly affected by the presence of neutral species-chemistry adds enormous complexity to the plasma environment. A weakly to partially ionized gas is often characterized by strong nonequilibrium in the velocity and energy distributions of its neutral and charged constituents. In nonequilibrium LTP, electrons are generally hot (many to tens of electron volts), whereas ions and neutrals are cool to warm (room temperature to a few tenths of an electron volt). Ions and neutrals in thermal LTP can approach or exceed an electron volt in temperature. At the same time, ions may be accelerated across thin sheath boundary layers to impact surfaces, with impact energies ranging up to thousands of electron volts. These moderately energetic electrons can efficiently create reactive radical fragments and vibrationally and electronically excited species from collisions with neutral molecules. These chemically active species can produce unique structures in the gas phase and on surfaces, structures that cannot be produced in other ways, at least not in an economically meaningful way. Photons generated by electron impact excited species in the plasma can interact more or less strongly with other species in the plasma or with the plasma boundaries, or they can escape from the plasma. The presence of boundaries around the plasma creates strong gradients where plasma properties change dramatically. It is in these boundary regions where externally generated electromagnetic radiation interacts most strongly with the plasma, often producing unique responses. And it is at bounding surfaces where complex plasma-surface interactions occur. The intellectual challenges associated with LTPS center on several themes, and these are discussed in the chapters that follow this overview. These themes are plasma-surface interactions; kinetic, nonlinear properties of LTP; plasmas in multiphase media; scaling laws for LTP; and crosscutting themes: diagnostics, modeling, and fundamental data.« less

Enhanced hot-electron production and strong-shock generation in hydrogen-rich ablators for shock ignition

DOE PAGES

Theobald, W.; Bose, A.; Yan, R.; ...

2017-12-08

Experiments were performed with CH, Be, C, and SiO 2 ablators interacting with high-intensity UV laser radiation (5 × 10 15 W/cm 2, λ = 351 nm) to determine the optimum material for hot-electron production and strong-shock generation. Significantly more hot electrons are produced in CH (up to ~13% instantaneous conversion efficiency), while the amount is a factor of ~2 to 3 lower in the other ablators. A larger hot-electron fraction is correlated with a higher effective ablation pressure. As a result, the higher conversion efficiency in CH is attributed to stronger damping of ion-acoustic waves because of the presencemore » of light H ions.« less

Enhanced hot-electron production and strong-shock generation in hydrogen-rich ablators for shock ignition

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

Theobald, W.; Bose, A.; Yan, R.

Experiments were performed with CH, Be, C, and SiO 2 ablators interacting with high-intensity UV laser radiation (5 × 10 15 W/cm 2, λ = 351 nm) to determine the optimum material for hot-electron production and strong-shock generation. Significantly more hot electrons are produced in CH (up to ~13% instantaneous conversion efficiency), while the amount is a factor of ~2 to 3 lower in the other ablators. A larger hot-electron fraction is correlated with a higher effective ablation pressure. As a result, the higher conversion efficiency in CH is attributed to stronger damping of ion-acoustic waves because of the presencemore » of light H ions.« less

Negligible Electronic Interaction between Photoexcited Electron–Hole Pairs and Free Electrons in Phosphorus–Boron Co-Doped Silicon Nanocrystals

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

Limpens, Rens; Fujii, Minoru; Neale, Nathan R.

Phosphorus (P) and boron (B) co-doped Si nanocrystals (NCs) have raised interest in the optoelectronic industry due to their electronic tunability, optimal carrier multiplication properties, and straightforward dispersibility in polar solvents. Yet a basic understanding of the interaction of photoexcited electron-hole (e-h) pairs with new physical features that are introduced by the co-doping process (free carriers, defect states, and surface chemistry) is missing. Here, we present the first study of the ultrafast carrier dynamics in SiO2-embedded P-B co-doped Si NC ensembles using induced absorption spectroscopy through a two-step approach. First, the induced absorption data show that the large fraction ofmore » the dopants residing on the NC surface slows down carrier relaxation dynamics within the first 20 ps relative to intrinsic (undoped) Si NCs, which we interpret as enhanced surface passivation. On longer time-scales (picosecond to nanosecond regime), we observe a speeding up of the carrier relaxation dynamics and ascribe it to doping-induced trap states. This argument is deduced from the second part of the study, where we investigate multiexciton interactions. From a stochastic modeling approach we show that localized carriers, which are introduced by the P or B dopants, have minor electronic interactions with the photoexcited e-h pairs. This is understood in light of the strong localization of the introduced carriers on their original P- or B-dopant atoms, due to the strong quantum confinement regime in these relatively small NCs (<6 nm).« less

Negligible Electronic Interaction between Photoexcited Electron–Hole Pairs and Free Electrons in Phosphorus–Boron Co-Doped Silicon Nanocrystals

DOE PAGES

Limpens, Rens; Fujii, Minoru; Neale, Nathan R.; ...

2018-02-28

Phosphorus (P) and boron (B) co-doped Si nanocrystals (NCs) have raised interest in the optoelectronic industry due to their electronic tunability, optimal carrier multiplication properties, and straightforward dispersibility in polar solvents. Yet a basic understanding of the interaction of photoexcited electron-hole (e-h) pairs with new physical features that are introduced by the co-doping process (free carriers, defect states, and surface chemistry) is missing. Here, we present the first study of the ultrafast carrier dynamics in SiO2-embedded P-B co-doped Si NC ensembles using induced absorption spectroscopy through a two-step approach. First, the induced absorption data show that the large fraction ofmore » the dopants residing on the NC surface slows down carrier relaxation dynamics within the first 20 ps relative to intrinsic (undoped) Si NCs, which we interpret as enhanced surface passivation. On longer time-scales (picosecond to nanosecond regime), we observe a speeding up of the carrier relaxation dynamics and ascribe it to doping-induced trap states. This argument is deduced from the second part of the study, where we investigate multiexciton interactions. From a stochastic modeling approach we show that localized carriers, which are introduced by the P or B dopants, have minor electronic interactions with the photoexcited e-h pairs. This is understood in light of the strong localization of the introduced carriers on their original P- or B-dopant atoms, due to the strong quantum confinement regime in these relatively small NCs (<6 nm).« less

Effective Hamiltonians for correlated narrow energy band systems and magnetic insulators: Role of spin-orbit interactions in metal-insulator transitions and magnetic phase transitions

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

Chakraborty, Subrata; Vijay, Amrendra, E-mail: avijay@iitm.ac.in

Using a second-quantized many-electron Hamiltonian, we obtain (a) an effective Hamiltonian suitable for materials whose electronic properties are governed by a set of strongly correlated bands in a narrow energy range and (b) an effective spin-only Hamiltonian for magnetic materials. The present Hamiltonians faithfully include phonon and spin-related interactions as well as the external fields to study the electromagnetic response properties of complex materials and they, in appropriate limits, reduce to the model Hamiltonians due to Hubbard and Heisenberg. With the Hamiltonian for narrow-band strongly correlated materials, we show that the spin-orbit interaction provides a mechanism for metal-insulator transition, whichmore » is distinct from the Mott-Hubbard (driven by the electron correlation) and the Anderson mechanism (driven by the disorder). Next, with the spin-only Hamiltonian, we demonstrate the spin-orbit interaction to be a reason for the existence of antiferromagnetic phase in materials which are characterized by a positive isotropic spin-exchange energy. This is distinct from the Néel-VanVleck-Anderson paradigm which posits a negative spin-exchange for the existence of antiferromagnetism. We also find that the Néel temperature increases as the absolute value of the spin-orbit coupling increases.« less

An experiment to verify that the weak interactions satisfy the strong equivalence principle. [electron capture and gravitational potential

NASA Technical Reports Server (NTRS)

Eby, P. B.

1978-01-01

The construction of a clock based on the beta decay process is proposed to test for any violations by the weak interaction of the strong equivalence principle bu determining whether the weak interaction coupling constant beta is spatially constant or whether it is a function of gravitational potential (U). The clock can be constructed by simply counting the beta disintegrations of some suitable source. The total number of counts are to be taken a measure of elapsed time. The accuracy of the clock is limited by the statistical fluctuations in the number of counts, N, which is equal to the square root of N. Increasing N gives a corresponding increase in accuracy. A source based on the electron capture process can be used so as to avoid low energy electron discrimination problems. Solid state and gaseous detectors are being considered. While the accuracy of this type of beta decay clock is much less than clocks based on the electromagnetic interaction, there is a corresponding lack of knowledge of the behavior of beta as a function of gravitational potential. No predictions from nonmetric theories as to variations in beta are available as yet, but they may occur at the U/sg C level.

Multiphonon contribution to the polaron formation in cuprates with strong electron correlations and strong electron-phonon interaction

NASA Astrophysics Data System (ADS)

Ovchinnikov, Sergey G.; Makarov, Ilya A.; Kozlov, Peter A.

2017-03-01

In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and offdiagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed.

Positronium formation studies in solid molecular complexes: Triphenylphosphine oxide-triphenylmethanol

NASA Astrophysics Data System (ADS)

Oliveira, F. C.; Denadai, A. M. L.; Fulgêncio, F. H.; Magalhães, W. F.; Alcântara, A. F. C.; Windmöller, D.; Machado, J. C.

2012-06-01

Positronium formation in triphenylphosphine oxide (TPPO), triphenylmethanol (TPM), and systems [TPPO(1-X)ṡTPMX] has been studied. The low probability of positronium formation in complex [TPPO0.5ṡTPM0.5] was attributed to strong hydrogen bond and sixfold phenyl embrace interactions. These strong interactions in complex reduce the possibility of the n- and π-electrons to interact with positrons on the spur and consequently, the probability of positronium formation is lower. The τ3 parameter and free volume (correlated to τ3) were also sensitive to the formation of hydrogen bonds and sixfold phenyl embrace interactions within the complex. For physical mixture the positron annihilation parameters remained unchanged throughout the composition range.

Design Considerations for High Energy Electron -- Positron Storage Rings

DOE R&D Accomplishments Database

Richter, B.

1966-11-01

High energy electron-positron storage rings give a way of making a new attack on the most important problems of elementary particle physics. All of us who have worked in the storage ring field designing, building, or using storage rings know this. The importance of that part of storage ring work concerning tests of quantum electrodynamics and mu meson physics is also generally appreciated by the larger physics community. However, I do not think that most of the physicists working tin the elementary particle physics field realize the importance of the contribution that storage ring experiments can make to our understanding of the strongly interacting particles. I would therefore like to spend the next few minutes discussing the sort of things that one can do with storage rings in the strongly interacting particle field.

Strong-field ionization of clusters using two-cycle pulses at 1.8 μm

PubMed Central

Schütte, Bernd; Ye, Peng; Patchkovskii, Serguei; Austin, Dane R.; Brahms, Christian; Strüber, Christian; Witting, Tobias; Ivanov, Misha Yu.; Tisch, John W. G.; Marangos, Jon P.

2016-01-01

The interaction of intense laser pulses with nanoscale particles leads to the production of high-energy electrons, ions, neutral atoms, neutrons and photons. Up to now, investigations have focused on near-infrared to X-ray laser pulses consisting of many optical cycles. Here we study strong-field ionization of rare-gas clusters (103 to 105 atoms) using two-cycle 1.8 μm laser pulses to access a new interaction regime in the limit where the electron dynamics are dominated by the laser field and the cluster atoms do not have time to move significantly. The emission of fast electrons with kinetic energies exceeding 3 keV is observed using laser pulses with a wavelength of 1.8 μm and an intensity of 1 × 1015 W/cm2, whereas only electrons below 500 eV are observed at 800 nm using a similar intensity and pulse duration. Fast electrons are preferentially emitted along the laser polarization direction, showing that they are driven out from the cluster by the laser field. In addition to direct electron emission, an electron rescattering plateau is observed. Scaling to even longer wavelengths is expected to result in a highly directional current of energetic electrons on a few-femtosecond timescale. PMID:28009012

High-harmonic generation from an atomically thin semiconductor [Observation of high harmonics from an atomically thin semiconductor

DOE PAGES

Liu, Hanzhe; Li, Yilei; You, Yong Sing; ...

2016-11-14

High-harmonic generation (HHG) in bulk solids permits the exploration of materials in a new regime of strong fields and attosecond timescales. The generation process has been discussed in the context of strongly driven electron dynamics in single-particle bands. Two-dimensional materials exhibit distinctive electronic properties compared to the bulk that could significantly modify the HHG process, including different symmetries, access to individual valleys and enhanced many-body interactions. Here we demonstrate non-perturbative HHG from a monolayer MoS 2 crystal, with even and odd harmonics extending to the 13th order. The even orders are predominantly polarized perpendicular to the pump and are compatiblemore » with the anomalous transverse intraband current arising from the material’s Berry curvature, while the weak parallel component suggests the importance of interband transitions. The odd harmonics exhibit a significant enhancement in efficiency per layer compared to the bulk, which is attributed to correlation effects. In conclusion, the combination of strong many-body Coulomb interactions and widely tunable electronic properties in two-dimensional materials offers a new platform for attosecond physics.« less

Nanoscale Insight and Control of Structural and Electronic Properties of Organic Semiconductor / Metal Interfaces

NASA Astrophysics Data System (ADS)

Maughan, Bret

Organic semiconductor interfaces are promising materials for use in next-generation electronic and optoelectronic devices. Current models for metal-organic interfacial electronic structure and dynamics are inadequate for strongly hybridized systems. This work aims to address this issue by identifying the factors most important for understanding chemisorbed interfaces with an eye towards tuning the interfacial properties. Here, I present the results of my research on chemisorbed interfaces formed between thin-films of phthalocyanine molecules grown on monocrystalline Cu(110). Using atomically-resolved nanoscale imaging in combination with surface-sensitive photoemission techniques, I show that single-molecule level interactions control the structural and electronic properties of the interface. I then demonstrate that surface modifications aimed at controlling interfacial interactions are an effective way to tailor the physical and electronic structure of the interface. This dissertation details a systematic investigation of the effect of molecular and surface functionalization on interfacial interactions. To understand the role of molecular structure, two types of phthalocyanine (Pc) molecules are studied: non-planar, dipolar molecules (TiOPc), and planar, non-polar molecules (H2Pc and CuPc). Multiple adsorption configurations for TiOPc lead to configuration-dependent self-assembly, Kondo screening, and electronic energy-level alignment. To understand the role of surface structure, the Cu(110) surface is textured and passivated by oxygen chemisorption prior to molecular deposition, which gives control over thin-film growth and interfacial electronic structure in H2Pc and CuPc films. Overall, the work presented here demonstrates a method for understanding interfacial electronic structure of strongly hybridized interfaces, an important first step towards developing more robust models for metal-organic interfaces, and reliable, predictive tuning of interfacial properties.

Electron impact ionization in the vicinity of comets

NASA Astrophysics Data System (ADS)

Cravens, T. E.; Kozyra, J. U.; Nagy, A. F.; Gombosi, T. I.; Kurtz, M.

1987-07-01

The solar wind interacts very strongly with the extensive cometary coma, and the various interaction processes are initiated by the ionization of cometary neutrals. The main ionization mechanism far outside the cometary bow shock is photoionization by solar extreme ultraviolet radiation.Electron distributions measured in the vicinity of comets Halley and Giacobini-Zinner by instruments on the VEGA and ICE spacecraft, respectively, are used to calculate electron impact ionization frequencies. Ionization by electrons is of comparable importance to photoionization in the magnetosheaths of Comets Halley and Giacobini-Zinner. The ionization frequency in the inner part of the cometary plasma region of comet Halley is several times greater than the photoionization value. Tables of ionization frequencies as functions of electron temperature are presented for H2O, CO2, CO, O, N2, and H.

I.I. Rabi in Atomic, Molecular & Optical Physics Prize Talk: Strongly Interacting Fermi Gases of Atoms and Molecules

NASA Astrophysics Data System (ADS)

Zwierlein, Martin

2017-04-01

Strongly interacting fermions govern physics at all length scales, from nuclear matter to modern electronic materials and neutron stars. The interplay of the Pauli principle with strong interactions can give rise to exotic properties that we do not understand even at a qualitative level. In recent years, ultracold Fermi gases of atoms have emerged as a new type of strongly interacting fermionic matter that can be created and studied in the laboratory with exquisite control. Feshbach resonances allow for unitarity limited interactions, leading to scale invariance, universal thermodynamics and a superfluid phase transition already at 17 Trapped in optical lattices, fermionic atoms realize the Fermi-Hubbard model, believed to capture the essence of cuprate high-temperature superconductors. Here, a microscope allows for single-atom, single-site resolved detection of density and spin correlations, revealing the Pauli hole as well as anti-ferromagnetic and doublon-hole correlations. Novel states of matter are predicted for fermions interacting via long-range dipolar interactions. As an intriguing candidate we created stable fermionic molecules of NaK at ultralow temperatures featuring large dipole moments and second-long spin coherence times. In some of the above examples the experiment outperformed the most advanced computer simulations of many-fermion systems, giving hope for a new level of understanding of strongly interacting fermions.

Electronic structure and magnetism in transition metals doped 8-hydroxy-quinoline aluminum.

PubMed

Baik, Jeong Min; Shon, Yoon; Lee, Seung Joo; Jeong, Yoon Hee; Kang, Tae Won; Lee, Jong-Lam

2008-10-15

We report the room-temperature ferromagnetism in transition metals (Co, Ni)-doped 8-hydroxy-quinoline aluminum (Alq3) by thermal coevaporation of high purity metal and Alq3 powders. For 5% Co-doped Alq3, a maximum magnetization of approximately 0.33 microB/Co at 10 K was obtained and ferromagnetic behavior was observed up to 300 K. The Co atoms interact chemically with O atoms and provide electrons to Alq3, forming new states acting as electron trap sites. From this, it is suggested that ferromagnetism may be associated with the strong chemical interaction of Co atoms and Alq3 molecules.

Moving Beyond Quantum Mechanics in Search for a Generalized Theory of Superconductivity

NASA Astrophysics Data System (ADS)

Akpojotor, Godfrey; Animalu, Alexander

2012-02-01

Though there are infinite number of theories currently in the literature in the search for a generalized theory of superconductivity (SC), there may be three domineering mechanisms for the Cooper pair formation (CPF) and their emergent theories of SC. Two of these mechanisms, electron-phonon interactions and electron-electron correlations which are based on the quantum theory axiom of action-at-a distance, may be only an approximation of the third mechanism which is contact interaction of the wavepackets of the two electrons forming the Cooper pair as envisaged in hadronic mechanics to be responsible for natural bonding of elements. The application of this hydronic --type interaction to the superconducting cuprates, iron based compounds and heavy fermions leads to interesting results. It is therefore suggested that the future of the search for the theory of SC may be considered from this natural possible bonding that at short distances, the CPF is by a nonlinear, nonlocal and nonhamiltonian strong hadronic-type interactions due to deep wave-overlapping of spinning particles leading to Hulthen potential that is attractive between two electrons in singlet couplings while at large distances the CPF is by superexchange interaction which is purely a quantum mechanical affairs.

Hot carrier-enhanced interlayer electron-hole pair multiplication in 2D semiconductor heterostructure photocells

NASA Astrophysics Data System (ADS)

Barati, Fatemeh; Grossnickle, Max; Su, Shanshan; Lake, Roger K.; Aji, Vivek; Gabor, Nathaniel M.

2017-12-01

Strong electronic interactions can result in novel particle-antiparticle (electron-hole, e-h) pair generation effects, which may be exploited to enhance the photoresponse of nanoscale optoelectronic devices. Highly efficient e-h pair multiplication has been demonstrated in several important nanoscale systems, including nanocrystal quantum dots, carbon nanotubes and graphene. The small Fermi velocity and nonlocal nature of the effective dielectric screening in ultrathin layers of transition-metal dichalcogenides (TMDs) indicates that e-h interactions are very strong, so high-efficiency generation of e-h pairs from hot electrons is expected. However, such e-h pair multiplication has not been observed in 2D TMD devices. Here, we report the highly efficient multiplication of interlayer e-h pairs in 2D semiconductor heterostructure photocells. Electronic transport measurements of the interlayer I-VSD characteristics indicate that layer-indirect e-h pairs are generated by hot-electron impact excitation at temperatures near T = 300 K. By exploiting this highly efficient interlayer e-h pair multiplication process, we demonstrate near-infrared optoelectronic devices that exhibit 350% enhancement of the optoelectronic responsivity at microwatt power levels. Our findings, which demonstrate efficient carrier multiplication in TMD-based optoelectronic devices, make 2D semiconductor heterostructures viable for a new class of ultra-efficient photodetectors based on layer-indirect e-h excitations.

Charge transport and electron-hole asymmetry in low-mobility graphene/hexagonal boron nitride heterostructures

NASA Astrophysics Data System (ADS)

Li, Jiayu; Lin, Li; Huang, Guang-Yao; Kang, N.; Zhang, Jincan; Peng, Hailin; Liu, Zhongfan; Xu, H. Q.

2018-02-01

Graphene/hexagonal boron nitride (G/h-BN) heterostructures offer an excellent platform for developing nanoelectronic devices and for exploring correlated states in graphene under modulation by a periodic superlattice potential. Here, we report on transport measurements of nearly 0 ° -twisted G/h-BN heterostructures. The heterostructures investigated are prepared by dry transfer and thermally annealing processes and are in the low mobility regime (approximately 3000 cm2 V-1 s-1 at 1.9 K). The replica Dirac spectra and Hofstadter butterfly spectra are observed on the hole transport side, but not on the electron transport side, of the heterostructures. We associate the observed electron-hole asymmetry with the presence of a large difference between the opened gaps in the conduction and valence bands and a strong enhancement in the interband contribution to the conductivity on the electron transport side in the low-mobility G/h-BN heterostructures. We also show that the gaps opened at the central Dirac point and the hole-branch secondary Dirac point are large, suggesting the presence of strong graphene-substrate interaction and electron-electron interaction in our G/h-BN heterostructures. Our results provide additional helpful insight into the transport mechanism in G/h-BN heterostructures.

Jeans instability in collisional strongly coupled dusty plasma with radiative condensation and polarization force

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

Prajapati, R. P., E-mail: prajapati-iter@yahoo.co.in; Bhakta, S.; Chhajlani, R. K.

2016-05-15

The influence of dust-neutral collisions, polarization force, and electron radiative condensation is analysed on the Jeans (gravitational) instability of partially ionized strongly coupled dusty plasma (SCDP) using linear perturbation (normal mode) analysis. The Boltzmann distributed ions, dynamics of inertialess electrons, charged dust and neutral particles are considered. Using the plane wave solutions, a general dispersion relation is derived which is modified due to the presence of dust-neutral collisions, strong coupling effect, polarization force, electron radiative condensation, and Jeans dust/neutral frequencies. In the long wavelength perturbations, the Jeans instability criterion depends upon strong coupling effect, polarization interaction parameter, and thermal loss,more » but it is independent of dust-neutral collision frequency. The stability of the considered configuration is analysed using the Routh–Hurwitz criterion. The growth rates of Jeans instability are illustrated, and stabilizing influence of viscoelasticity and dust-neutral collision frequency while destabilizing effect of electron radiative condensation, polarization force, and Jeans dust-neutral frequency ratio is observed. This work is applied to understand the gravitational collapse of SCDP with dust-neutral collisions.« less

Coherent band excitations in CePd 3: A comparison of neutron scattering and ab initio theory

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

Goremychkin, Eugene A.; Park, Hyowon; Osborn, Raymond

In common with many strongly correlated electron systems, intermediate valence compounds are believed to display a crossover from a high-temperature regime of incoherently fluctuating local moments to a low-temperature regime of coherent hybridized bands. In this work, we show that inelastic neutron scattering measurements of the dynamic magnetic susceptibility of CePd 3 provides a benchmark for ab initio calculations based on dynamical mean field theory. The magnetic response is strongly momentum dependent thanks to the formation of coherent f-electron bands at low temperature, with an amplitude that is strongly enhanced by local particle-hole interactions. Finally, the agreement between experiment andmore » theory shows that we have a robust first-principles understanding of the temperature dependence of f-electron coherence.« less

Understanding the electron-phonon interaction in polar crystals: Perspective presented by the vibronic theory

NASA Astrophysics Data System (ADS)

Pishtshev, A.; Kristoffel, N.

2017-05-01

We outline our novel results relating to the physics of the electron-TO-phonon (el-TO-ph) interaction in a polar crystal. We explained why the el-TO-ph interaction becomes effectively strong in a ferroelectric, and showed how the electron density redistribution establishes favorable conditions for soft-behavior of the long-wavelength branch of the active TO vibration. In the context of the vibronic theory it has been demonstrated that at the macroscopic level the interaction of electrons with the polar zone-centre TO phonons can be associated with the internal long-range dipole forces. Also we elucidated a methodological issue of how local field effects are incorporated within the vibronic theory. These result provided not only substantial support for the vibronic mechanism of ferroelectricity but also presented direct evidence of equivalence between vibronic and the other lattice dynamics models. The corresponding comparison allowed us to introduce the original parametrization for constants of the vibronic interaction in terms of key material constants. The applicability of the suggested formula has been tested for a wide class of polar materials.

Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

NASA Astrophysics Data System (ADS)

Wu, Wei; Fisher, A. J.; Harrison, N. M.; Wang, Hai; Wu, Zhenlin; Gardener, Jules; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

2012-12-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine (Cu(II)Pc) crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green's function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α- and β-phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Theoretical modeling of the electronic structure and exchange interactions in a Cu(II)Pc one-dimensional chain

NASA Astrophysics Data System (ADS)

Wu, Wei; Fisher, A. J.; Harrison, N. M.

2011-07-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine [Cu(II)Pc] crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green’s function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap, and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α and β phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Rovibrational states of Wigner molecules in spherically symmetric confining potentials

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

Cioslowski, Jerzy

2016-08-07

The strong-localization limit of three-dimensional Wigner molecules, in which repulsively interacting particles are confined by a weak spherically symmetric potential, is investigated. An explicit prescription for computation of rovibrational wavefunctions and energies that are asymptotically exact at this limit is presented. The prescription is valid for systems with arbitrary angularly-independent interparticle and confining potentials, including those involving Coulombic and screened (i.e., Yukawa/Debye) interactions. The necessary derivations are greatly simplified by explicit constructions of the Eckart frame and the parity-adapted primitive wavefunctions. The performance of the new formalism is illustrated with the three- and four-electron harmonium atoms at their strong-correlation limits.more » In particular, the involvement of vibrational modes with the E symmetry is readily pinpointed as the origin of the “anomalous” weak-confinement behavior of the {sup 1}S{sub +} state of the four-electron species that is absent in its {sup 1}D{sub +} companion of the strong-confinement regime.« less

Symmetry and electronic structure of noble-metal nanoparticles and the role of relativity.

PubMed

Häkkinen, Hannu; Moseler, Michael; Kostko, Oleg; Morgner, Nina; Hoffmann, Margarita Astruc; von Issendorff, Bernd

2004-08-27

We present high resolution UV-photoelectron spectra of cold mass selected Cun-, Agn-, and Aun- with n=53-58. The observed electron density of states is not the expected simple electron shell structure, but is strongly influenced by electron-lattice interactions. Only Cu55- and Ag55- exhibit highly degenerate states. This is a direct consequence of their icosahedral symmetry, as is confirmed by density functional theory calculations. Neighboring sizes exhibit perturbed electronic structures, as they are formed by removal or addition of atoms to the icosahedron and therefore have lower symmetries. Gold clusters in the same size range show completely different spectra with almost no degeneracy, which indicates that they have structures of much lower symmetry. This behavior is related to strong relativistic bonding effects in gold, as demonstrated by ab initio calculations for Au55-.

Strongly exchange-coupled triplet pairs in an organic semiconductor

NASA Astrophysics Data System (ADS)

Weiss, Leah R.; Bayliss, Sam L.; Kraffert, Felix; Thorley, Karl J.; Anthony, John E.; Bittl, Robert; Friend, Richard H.; Rao, Akshay; Greenham, Neil C.; Behrends, Jan

2017-02-01

From biological complexes to devices based on organic semiconductors, spin interactions play a key role in the function of molecular systems. For instance, triplet-pair reactions impact operation of organic light-emitting diodes as well as photovoltaic devices. Conventional models for triplet pairs assume they interact only weakly. Here, using electron spin resonance, we observe long-lived, strongly interacting triplet pairs in an organic semiconductor, generated via singlet fission. Using coherent spin manipulation of these two-triplet states, we identify exchange-coupled (spin-2) quintet complexes coexisting with weakly coupled (spin-1) triplets. We measure strongly coupled pairs with a lifetime approaching 3 μs and a spin coherence time approaching 1 μs, at 10 K. Our results pave the way for the utilization of high-spin systems in organic semiconductors.

Hydrogen adatom interaction on graphene: A first principles study

DOE PAGES

Zhang, Wei; Lu, Wen-Cai; Zhang, Hong-Xing; ...

2018-05-01

Interaction between two hydrogen adatoms on graphene was studied by first-principles calculations. We showed that there is an attraction between two H adatoms on graphene. However, the strength of interaction between two hydrogen adatoms and magnetic properties of graphene are strongly dependent on the residence of the two adatoms on the graphene sublattices. Hydrogen adatoms introduce lattice distortion and electron localization in graphene which mediate the attractive interaction between the two H adatoms.

Hydrogen adatom interaction on graphene: A first principles study

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

Zhang, Wei; Lu, Wen-Cai; Zhang, Hong-Xing

Interaction between two hydrogen adatoms on graphene was studied by first-principles calculations. We showed that there is an attraction between two H adatoms on graphene. However, the strength of interaction between two hydrogen adatoms and magnetic properties of graphene are strongly dependent on the residence of the two adatoms on the graphene sublattices. Hydrogen adatoms introduce lattice distortion and electron localization in graphene which mediate the attractive interaction between the two H adatoms.

Electromagnetic particle-in-cell simulations of the solar wind interaction with lunar magnetic anomalies.

PubMed

Deca, J; Divin, A; Lapenta, G; Lembège, B; Markidis, S; Horányi, M

2014-04-18

We present the first three-dimensional fully kinetic and electromagnetic simulations of the solar wind interaction with lunar crustal magnetic anomalies (LMAs). Using the implicit particle-in-cell code iPic3D, we confirm that LMAs may indeed be strong enough to stand off the solar wind from directly impacting the lunar surface forming a mini-magnetosphere, as suggested by spacecraft observations and theory. In contrast to earlier magnetohydrodynamics and hybrid simulations, the fully kinetic nature of iPic3D allows us to investigate the space charge effects and in particular the electron dynamics dominating the near-surface lunar plasma environment. We describe for the first time the interaction of a dipole model centered just below the lunar surface under plasma conditions such that only the electron population is magnetized. The fully kinetic treatment identifies electromagnetic modes that alter the magnetic field at scales determined by the electron physics. Driven by strong pressure anisotropies, the mini-magnetosphere is unstable over time, leading to only temporal shielding of the surface underneath. Future human exploration as well as lunar science in general therefore hinges on a better understanding of LMAs.

Higher-than-ballistic conduction of viscous electron flows

PubMed Central

Guo, Haoyu; Ilseven, Ekin; Falkovich, Gregory; Levitov, Leonid S.

2017-01-01

Strongly interacting electrons can move in a neatly coordinated way, reminiscent of the movement of viscous fluids. Here, we show that in viscous flows, interactions facilitate transport, allowing conductance to exceed the fundamental Landauer’s ballistic limit Gball. The effect is particularly striking for the flow through a viscous point contact, a constriction exhibiting the quantum mechanical ballistic transport at T=0 but governed by electron hydrodynamics at elevated temperatures. We develop a theory of the ballistic-to-viscous crossover using an approach based on quasi-hydrodynamic variables. Conductance is found to obey an additive relation G=Gball+Gvis, where the viscous contribution Gvis dominates over Gball in the hydrodynamic limit. The superballistic, low-dissipation transport is a generic feature of viscous electronics. PMID:28265079

Ab initio calculations of potential energy curves of Hg/sub 2/ and TlHg

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

Celestino, K.C.; Ermler, W.C.

1984-08-15

Potential energy curves for electronic states of Hg/sub 2/ and TlHg are presented and analyzed. They are derived using large scale configuration interaction procedures for the valence electrons, with the core electrons represented by ab initio relativistic effective potentials. The effect of spin-orbit coupling are investigated for the low-lying excimer states. It is determined that neither system possesses strongly bound electronic states for which transitions to the repulsive ground states are optically allowed.

Collisional Lifetimes of Elementary Excitations in Two-Dimensional Systems in the Field of a Strong Electromagnetic Wave

NASA Astrophysics Data System (ADS)

Kovalev, V. M.

2018-04-01

A two-dimensional system with two nonequivalent valleys in the field of a strong circularly polarized electromagnetic wave is considered. It is assumed that the optical selection rules for a given polarization of light allow band-to-band transitions only in valleys of one, optically active, type (two-dimensional layer based on transition metal dichalcogenides, gapped graphene, etc.). This leads to the formation of photon-coupled electron-hole pairs, or an "optical insulator" state. It is assumed that the valleys of the second type (optically inactive) are populated with an equilibrium electron gas. The relaxation of elementary excitations in this hybrid system consisting of an electron gas and a gas of electron-hole pairs caused by the Coulomb interaction between the particles is investigated.

Phenomenology of ELDER dark matter

NASA Astrophysics Data System (ADS)

Kuflik, Eric; Perelstein, Maxim; Lorier, Nicolas Rey-Le; Tsai, Yu-Dai

2017-08-01

We explore the phenomenology of Elastically Decoupling Relic (ELDER) dark matter. ELDER is a thermal relic whose present density is determined primarily by the cross-section of its elastic scattering off Standard Model (SM) particles. Assuming that this scattering is mediated by a kinetically mixed dark photon, we argue that the ELDER scenario makes robust predictions for electron-recoil direct-detection experiments, as well as for dark photon searches. These predictions are independent of the details of interactions within the dark sector. Together with the closely related Strongly-Interacting Massive Particle (SIMP) scenario, the ELDER predictions provide a physically motivated, well-defined target region, which will be almost entirely accessible to the next generation of searches for sub-GeV dark matter and dark photons. We provide useful analytic approximations for various quantities of interest in the ELDER scenario, and discuss two simple renormalizable toy models which incorporate the required strong number-changing interactions among the ELDERs, as well as explicitly implement the coupling to electrons via the dark photon portal.

Transfer coefficients in ultracold strongly coupled plasma

NASA Astrophysics Data System (ADS)

Bobrov, A. A.; Vorob'ev, V. S.; Zelener, B. V.

2018-03-01

We use both analytical and molecular dynamic methods for electron transfer coefficients in an ultracold plasma when its temperature is small and the coupling parameter characterizing the interaction of electrons and ions exceeds unity. For these conditions, we use the approach of nearest neighbor to determine the average electron (ion) diffusion coefficient and to calculate other electron transfer coefficients (viscosity and electrical and thermal conductivities). Molecular dynamics simulations produce electronic and ionic diffusion coefficients, confirming the reliability of these results. The results compare favorably with experimental and numerical data from earlier studies.

Evidence for strong Breit interaction in dielectronic recombination of highly charged heavy ions.

PubMed

Nakamura, Nobuyuki; Kavanagh, Anthony P; Watanabe, Hirofumi; Sakaue, Hiroyuki A; Li, Yueming; Kato, Daiji; Currell, Fred J; Ohtani, Shunsuke

2008-02-22

Resonant strengths have been measured for dielectronic recombination of Li-like iodine, holmium, and bismuth using an electron beam ion trap. By observing the atomic number dependence of the state-resolved resonant strength, clear experimental evidence has been obtained that the importance of the generalized Breit interaction (GBI) effect on dielectronic recombination increases as the atomic number increases. In particular, it has been shown that the GBI effect is exceptionally strong for the recombination through the resonant state [1s2s(2)2p(1/2)](1).

Rydberg dressing of atoms in optical lattices

NASA Astrophysics Data System (ADS)

Macrı, T.; Pohl, T.

2014-01-01

We study atoms in optical lattices whose electronic ground state is off-resonantly coupled to a highly excited state with strong binary interactions. We present a time-dependent treatment of the resulting quantum dynamics, which—contrary to recent predictions [36 Li, Ates, and Lesanovsky, Phys. Rev. Lett. 110, 213005 (2013), 10.1103/PhysRevLett.110.213005]—proves that the strong repulsion between the weakly admixed Rydberg states does not lead to atomic trap loss. This finding provides an important basis for creating and manipulating coherent long-range interactions in optical lattice experiments.

Volkov basis for simulation of interaction of strong laser pulses and solids

NASA Astrophysics Data System (ADS)

Kidd, Daniel; Covington, Cody; Li, Yonghui; Varga, Kálmán

2018-01-01

An efficient and accurate basis comprised of Volkov states is implemented and tested for time-dependent simulations of interactions between strong laser pulses and crystalline solids. The Volkov states are eigenstates of the free electron Hamiltonian in an electromagnetic field and analytically represent the rapidly oscillating time-dependence of the orbitals, allowing significantly faster time propagation than conventional approaches. The Volkov approach can be readily implemented in plane-wave codes by multiplying the potential energy matrix elements with a simple time-dependent phase factor.

Relativistic electron microbursts and variations in trapped MeV electron fluxes during the 8-9 October 2012 storm: SAMPEX and Van Allen Probes observations

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

Kurita, Satoshi; Miyoshi, Yoshizumi; Blake, J. Bernard

2016-03-06

It has been suggested that whistler mode chorus is responsible for both acceleration of MeV electrons and relativistic electron microbursts through resonant wave-particle interactions. Relativistic electron microbursts have been considered as an important loss mechanism of radiation belt electrons. Here in this paper we report on the observations of relativistic electron microbursts and flux variations of trapped MeV electrons during the 8–9 October 2012 storm, using the SAMPEX and Van Allen Probes satellites. Observations by the satellites show that relativistic electron microbursts correlate well with the rapid enhancement of trapped MeV electron fluxes by chorus wave-particle interactions, indicating that accelerationmore » by chorus is much more efficient than losses by microbursts during the storm. It is also revealed that the strong chorus wave activity without relativistic electron microbursts does not lead to significant flux variations of relativistic electrons. Thus, effective acceleration of relativistic electrons is caused by chorus that can cause relativistic electron microbursts.« less

One-dimensional continuum electronic structure with the density-matrix renormalization group and its implications for density-functional theory.

PubMed

Stoudenmire, E M; Wagner, Lucas O; White, Steven R; Burke, Kieron

2012-08-03

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. The method can be used to simulate 1D cold atom systems and to study density-functional theory in an exact setting. To illustrate, we find an interacting, extended system which is an insulator but whose Kohn-Sham system is metallic.

Field propagation-induced directionality of carrier-envelope phase-controlled photoemission from nanospheres

DOE PAGES

SuBmann, F.; Seiffert, L.; Zherebtsov, S.; ...

2015-08-12

Near-fields of non-resonantly laser-excited nanostructures enable strong localization of ultrashort light fields and have opened novel routes to fundamentally modify and control electronic strong-field processes. Harnessing spatiotemporally tunable near-fields for the steering of sub-cycle electron dynamics may enable ultrafast optoelectronic devices and unprecedented control in the generation of attosecond electron and photon pulses. Here we utilize unsupported sub-wavelength dielectric nanospheres to generate near-fields with adjustable structure and study the resulting strong-field dynamics via photoelectron imaging. We demonstrate field propagation-induced tunability of the emission direction of fast recollision electrons up to a regime, where nonlinear charge interaction effects become dominant inmore » the acceleration process. In conclusion, our analysis supports that the timing of the recollision process remains controllable with attosecond resolution by the carrier-envelope phase, indicating the possibility to expand near-field-mediated control far into the realm of high-field phenomena.« less

Field propagation-induced directionality of carrier-envelope phase-controlled photoemission from nanospheres

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

SuBmann, F.; Seiffert, L.; Zherebtsov, S.

Near-fields of non-resonantly laser-excited nanostructures enable strong localization of ultrashort light fields and have opened novel routes to fundamentally modify and control electronic strong-field processes. Harnessing spatiotemporally tunable near-fields for the steering of sub-cycle electron dynamics may enable ultrafast optoelectronic devices and unprecedented control in the generation of attosecond electron and photon pulses. Here we utilize unsupported sub-wavelength dielectric nanospheres to generate near-fields with adjustable structure and study the resulting strong-field dynamics via photoelectron imaging. We demonstrate field propagation-induced tunability of the emission direction of fast recollision electrons up to a regime, where nonlinear charge interaction effects become dominant inmore » the acceleration process. In conclusion, our analysis supports that the timing of the recollision process remains controllable with attosecond resolution by the carrier-envelope phase, indicating the possibility to expand near-field-mediated control far into the realm of high-field phenomena.« less

Exciton dispersion in molecular solids

NASA Astrophysics Data System (ADS)

Cudazzo, Pierluigi; Sottile, Francesco; Rubio, Angel; Gatti, Matteo

2015-03-01

The investigation of the exciton dispersion (i.e. the exciton energy dependence as a function of the momentum carried by the electron-hole pair) is a powerful approach to identify the exciton character, ranging from the strongly localised Frenkel to the delocalised Wannier-Mott limiting cases. We illustrate this possibility at the example of four prototypical molecular solids (picene, pentacene, tetracene and coronene) on the basis of the parameter-free solution of the many-body Bethe-Salpeter equation. We discuss the mixing between Frenkel and charge-transfer excitons and the origin of their Davydov splitting in the framework of many-body perturbation theory and establish a link with model approaches based on molecular states. Finally, we show how the interplay between the electronic band dispersion and the exchange electron-hole interaction plays a fundamental role in setting the nature of the exciton. This analysis has a general validity holding also for other systems in which the electron wavefunctions are strongly localized, as in strongly correlated insulators.

Computational study of the RGD-peptide interactions with perovskite-type BFO-(1 1 1) membranes under aqueous conditions

NASA Astrophysics Data System (ADS)

Li, Hai-long; Bian, Liang; Hou, Wen-ping; Dong, Fa-Qin; Song, Mian-Xin; Zhang, Xiao-yan; Wang, Li-sheng

2016-07-01

We elucidated a number of facets regarding arginine-glycine-aspartate (RGD)-bismuth ferrite (BFO)-(1 1 1) membrane interactions and reactivity that have previously remained unexplored on a molecular level. Results demonstrate the intra-molecular interaction facilitates a ;horseshoe; structure of RGD adsorbed onto the BFO-(1 1 1) membrane, through the electrostatic (Asp-cation-Fe) and water-bridge (Osbnd H2O and H2Osbnd NH2) interactions. The effect of structural and electron-transfer interactions is attributed to the cation-valences, indicating that the divalent cations are electron-acceptors and the monovalent cations as electron-donors. Notably, the strongly bound Ca2+ ion exerts a ;gluing; effect on the Asp-side-chain, indicating a tightly packed RGD-BFO configuration. Thus, modulating the biological response of BFO-(1 1 1) membrane will allow us to design more appropriate interfaces for implantable diagnostic and therapeutic perovskite-type micro-devices.

Quantum optical signatures in strong-field laser physics: Infrared photon counting in high-order-harmonic generation.

PubMed

Gonoskov, I A; Tsatrafyllis, N; Kominis, I K; Tzallas, P

2016-09-07

We analytically describe the strong-field light-electron interaction using a quantized coherent laser state with arbitrary photon number. We obtain a light-electron wave function which is a closed-form solution of the time-dependent Schrödinger equation (TDSE). This wave function provides information about the quantum optical features of the interaction not accessible by semi-classical theories. With this approach we can reveal the quantum optical properties of high harmonic generation (HHG) process in gases by measuring the photon statistics of the transmitted infrared (IR) laser radiation. This work can lead to novel experiments in high-resolution spectroscopy in extreme-ultraviolet (XUV) and attosecond science without the need to measure the XUV light, while it can pave the way for the development of intense non-classical light sources.

X-Ray generation in strongly nonlinear plasma waves.

NASA Astrophysics Data System (ADS)

Kiselev, Sergey; Pukhov, Alexander; Kostyukov, Igor

2004-11-01

Using three-dimensional particle-in-cell simulations we show that a strongly nonlinear plasma wave excited by an ultrahigh intensity laser pulse works as a compact high-brightness source of Xray radiation. It has been recently suggested by A. Pukhov and J. Meyer-ter-Vehn, Appl. Phys. B 74, 355 (2002), that in a strongly nonlinear regime the plasma wave transforms to a ``bubble'', which is almost free from background electrons. Inside the bubble, a dense bunch of relativistic electrons is produced. These accelerated electrons make betatron oscillations in the transverse fields of the bubble and emit a bright broadband X-ray radiation with a maximum about 50 keV. The emission is confined to a small angle of about 0.1 rad. In addition, we make simulations of X-ray generation by an external 28.5-GeV electron bunch injected into the bubble. Gamma-quanta with up to GeV energies are observed in the simulation in a good agreement with analytical results. The energy conversion is efficient, leading to a significant stopping of the electron bunch over 5 mm interaction distance.

The dependence of graphene Raman D-band on carrier density.

PubMed

Liu, Junku; Li, Qunqing; Zou, Yuan; Qian, Qingkai; Jin, Yuanhao; Li, Guanhong; Jiang, Kaili; Fan, Shoushan

2013-01-01

Raman spectroscopy has been an integral part of graphene research and can provide information about graphene structure, electronic characteristics, and electron-phonon interactions. In this study, the characteristics of the graphene Raman D-band, which vary with carrier density, are studied in detail, including the frequency, full width half-maximum, and intensity. We find the Raman D-band frequency increases for hole doping and decreases for electron doping. The Raman D-band intensity increases when the Fermi level approaches half of the excitation energy and is higher in the case of electron doping than that of hole doping. These variations can be explained by electron-phonon interaction theory and quantum interference between different Raman pathways in graphene. The intensity ratio of Raman D- and G-band, which is important for defects characterization in graphene, shows a strong dependence on carrier density.

Atomically precise cluster catalysis towards quantum controlled catalysts

PubMed Central

Watanabe, Yoshihide

2014-01-01

Catalysis of atomically precise clusters supported on a substrate is reviewed in relation to the type of reactions. The catalytic activity of supported clusters has generally been discussed in terms of electronic structure. Several lines of evidence have indicated that the electronic structure of clusters and the geometry of clusters on a support, including the accompanying cluster-support interaction, are strongly correlated with catalytic activity. The electronic states of small clusters would be easily affected by cluster–support interactions. Several studies have suggested that it is possible to tune the electronic structure through atomic control of the cluster size. It is promising to tune not only the number of cluster atoms, but also the hybridization between the electronic states of the adsorbed reactant molecules and clusters in order to realize a quantum-controlled catalyst. PMID:27877723

Synthesis and strong photooxidation power of a supramolecular hybrid comprising a polyoxometalate and Ru(II) polypyridyl complex with zinc(II).

PubMed

Ohashi, Kenji; Takeda, Hiroyuki; Koike, Kazuhide; Ishitani, Osamu

2015-01-01

A novel method for constructing supramolecular hybrids composed of polyoxometalates and photofunctional metal complexes was developed. A Ru(II) complex with phosphonate groups (RuP) strongly interacted with Zn(II) to afford a 2 : 1 trinuclear metal complex ([(RuP)2Zn](3+)). In dimethylsulfoxide, [(RuP)2Zn](3+) strongly interacted with a Keggin-type heteropolyoxometalate (Si-WPOM) to form a 1 : 1 hybrid ([(RuP)2Zn]-POM). Irradiation of [(RuP)2Zn]-POM in the presence of diethanolamine caused rapid accumulation of the one-electron reduced hybrid with a quantum yield of 0.99.

Expanding the Media Mix in Statistics Education through Platform-Independent and Interactive Learning Objects

ERIC Educational Resources Information Center

Mittag, Hans-Joachim

2015-01-01

The ubiquity of mobile devices demands the exploitation of their potentials in distance and face-to-face teaching, as well for complementing textbooks in printed or electronic format. There is a strong need to develop innovative resources that open up new dimensions of learning and teaching through interactive and platform-independent content.…

Theoretical study of the criteria and consequences of hydrodynamic electron flow in graphene.

NASA Astrophysics Data System (ADS)

Adam, Shaffique; Ho, Derek; Yudhistira, Indra; Chakraborty, Nilotpal

Experiments on graphene electrons have succeeded in entering the hydrodynamic regime, as demonstrated by successful observations of Wiedemann-Franz law violations, and evidence for electron vortices. The hydrodynamic regime is expected to occur when electron-electron interactions dominate over all other electron collision mechanisms. We calculate the electron-electron, electron-impurity and electron-phonon scattering rates as a function of temperature, charge doping and disorder (charge puddle) strength. We find that there exists a window in parameter space where electron-electron scattering dominates and hydrodynamic effects become observable. However, we also find that disorder induced carrier density inhomogeneity continues to play an important role in the vicinity of charge neutrality, even in the strongly interacting hydrodynamic regime. For example, although the ratio of thermal conductivity and electrical conductivity show a violation of the Wiedemann-Franz law in the aforementioned experiment, the electrical conductivity as a function of temperature still follows a disorder-driven universal scaling theory first predicted in This work was supported by the National Research Foundation of Singapore (NRF-NRFF2012-01).

Electron Phonon Coupling versus Photoelectron Energy Loss at the Origin of Replica Bands in Photoemission of FeSe on SrTiO3

NASA Astrophysics Data System (ADS)

Li, Fengmiao; Sawatzky, George A.

2018-06-01

The recent observation of replica bands in single-layer FeSe /SrTiO3 by angle-resolved photoemission spectroscopy (ARPES) has triggered intense discussions concerning the potential influence of the FeSe electrons coupling with substrate phonons on the superconducting transition temperature. Here we provide strong evidence that the replica bands observed in the single-layer FeSe /SrTiO3 system and several other cases are largely due to the energy loss processes of the escaping photoelectron, resulted from the well-known strong coupling of external propagating electrons to Fuchs-Kliewer surface phonons in ionic materials in general. The photoelectron energy loss in ARPES on single-layer FeSe /SrTiO3 is calculated using the demonstrated successful semiclassical dielectric theory in describing low energy electron energy loss spectroscopy of ionic insulators. Our result shows that the observed replica bands are mostly a result of extrinsic photoelectron energy loss and not a result of the electron phonon interaction of the Fe d electrons with the substrate phonons. The strong enhancement of the superconducting transition temperature in these monolayers remains an open question.

Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study.

PubMed

Sami, Selim; Haase, Pi A B; Alessandri, Riccardo; Broer, Ria; Havenith, Remco W A

2018-04-19

The low efficiency of organic photovoltaic (OPV) devices has often been attributed to the strong Coulombic interactions between the electron and hole, impeding the charge separation process. Recently, it has been argued that by increasing the dielectric constant of materials used in OPVs, this strong interaction could be screened. In this work, we report the application of periodic density functional theory together with the coupled perturbed Kohn-Sham method to calculate the electronic contribution to the dielectric constant for fullerene C 60 derivatives, a ubiquitous class of molecules in the field of OPVs. The results show good agreement with experimental data when available and also reveal an important undesirable outcome when manipulating the side chain to maximize the static dielectric constant: in all cases, the electronic contribution to the dielectric constant decreases as the side chain increases in size. This information should encourage both theoreticians and experimentalists to further investigate the relevance of contributions to the dielectric constant from slower processes like vibrations and dipolar reorientations for facilitating the charge separation, because electronically, enlarging the side chain of conventional fullerene derivatives only lowers the dielectric constant, and consequently, their electronic dielectric constant is upper bound by the one of C 60 .

Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study

PubMed Central

2018-01-01

The low efficiency of organic photovoltaic (OPV) devices has often been attributed to the strong Coulombic interactions between the electron and hole, impeding the charge separation process. Recently, it has been argued that by increasing the dielectric constant of materials used in OPVs, this strong interaction could be screened. In this work, we report the application of periodic density functional theory together with the coupled perturbed Kohn–Sham method to calculate the electronic contribution to the dielectric constant for fullerene C60 derivatives, a ubiquitous class of molecules in the field of OPVs. The results show good agreement with experimental data when available and also reveal an important undesirable outcome when manipulating the side chain to maximize the static dielectric constant: in all cases, the electronic contribution to the dielectric constant decreases as the side chain increases in size. This information should encourage both theoreticians and experimentalists to further investigate the relevance of contributions to the dielectric constant from slower processes like vibrations and dipolar reorientations for facilitating the charge separation, because electronically, enlarging the side chain of conventional fullerene derivatives only lowers the dielectric constant, and consequently, their electronic dielectric constant is upper bound by the one of C60. PMID:29561616

Higher-than-ballistic conduction of viscous electron flows.

PubMed

Guo, Haoyu; Ilseven, Ekin; Falkovich, Gregory; Levitov, Leonid S

2017-03-21

Strongly interacting electrons can move in a neatly coordinated way, reminiscent of the movement of viscous fluids. Here, we show that in viscous flows, interactions facilitate transport, allowing conductance to exceed the fundamental Landauer's ballistic limit [Formula: see text] The effect is particularly striking for the flow through a viscous point contact, a constriction exhibiting the quantum mechanical ballistic transport at [Formula: see text] but governed by electron hydrodynamics at elevated temperatures. We develop a theory of the ballistic-to-viscous crossover using an approach based on quasi-hydrodynamic variables. Conductance is found to obey an additive relation [Formula: see text], where the viscous contribution [Formula: see text] dominates over [Formula: see text] in the hydrodynamic limit. The superballistic, low-dissipation transport is a generic feature of viscous electronics.

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.

An electron of helium atom under a high-intensity laser field

NASA Astrophysics Data System (ADS)

Falaye, Babatunde James; Sun, Guo-Hua; Adepoju, Adenike Grace; Liman, Muhammed S.; Oyewumi, K. J.; Dong, Shi-Hai

2017-02-01

We scrutinize the behavior of eigenvalues of an electron in a helium (He) atom as it interacts with electric field directed along the z-axis and is exposed to linearly polarized intense laser field radiation. To achieve this, we freeze one electron of the He atom at its ionic ground state and the motion of the second electron in the ion core is treated via a more general case of screened Coulomb potential model. Using the Kramers-Henneberger (KH) unitary transformation, which is the semiclassical counterpart of the Block-Nordsieck transformation in the quantized field formalism, the squared vector potential that appears in the equation of motion is eliminated and the resultant equation is expressed in the KH frame. Within this frame, the resulting potential and the corresponding wave function are expanded in Fourier series and using Ehlotzky’s approximation, we obtain a laser-dressed potential to simulate intense laser field. By fitting the more general case of screened Coulomb potential model into the laser-dressed potential, and then expanding it in Taylor series up to O≤ft({{r}4},α 09\\right) , we obtain the solution (eigenvalues and wave function) of an electron in a He atom under the influence of external electric field and high-intensity laser field, within the framework of perturbation theory formalism. We found that the variation in frequency of laser radiation has no effect on the eigenvalues of a He electron for a particular electric field intensity directed along z-axis. Also, for a very strong external electric field and an infinitesimal screening parameter, the system is strongly bound. This work has potential application in the areas of atomic and molecular processes in external fields including interactions with strong fields and short pulses.

Wave-Particle Interactions Involving Correlated Electron Bursts and Whistler Chorus in Earth's Radiation Belts

NASA Astrophysics Data System (ADS)

Echterling, N.; Schriver, D.; Roeder, J. L.; Fennell, J. F.

2017-12-01

During the recovery phase of substorm plasma injections, the Van Allen Probes commonly observe events of quasi-periodic energetic electron bursts correlating with simultaneously detected upper-band, whistler-mode chorus emissions. These electron bursts exhibit narrow ranges of pitch angles (75-80° and 100-105°) and energies (20-40 keV). Electron cyclotron harmonic (ECH) emissions are also commonly detected, but typically do not display correlation with the electron bursts. To examine sources of free energy and the generation of these wave emissions, an observed electron velocity distribution on January 13, 2013 is used as the starting condition for a particle in cell (PIC) simulation. Effects of temperature anisotropy (perpendicular temperature greater than parallel temperature), the presence of a loss cone and a cold electron population on the generation of whistler and ECH waves are examined to understand wave generation and nonlinear interactions with the particle population. These nonlinear interactions produce energy diffusion along with strong pitch angle scattering into the loss cone on the order of milliseconds, which is faster than a typical bounce period of seconds. To examine the quasi-periodic nature of the electron bursts, a loss-cone recycling technique is implemented to model the effects of the periodic emptying of the loss cone and electron injection on the growth of whistler and ECH waves. The results of the simulations are compared to the Van Allen Probe observations to determine electron acceleration, heating and transport in Earth's radiation belts due to wave-particle interactions.

Strong terahertz radiation from relativistic laser interaction with solid density plasmas

NASA Astrophysics Data System (ADS)

Li, Y. T.; Li, C.; Zhou, M. L.; Wang, W. M.; Du, F.; Ding, W. J.; Lin, X. X.; Liu, F.; Sheng, Z. M.; Peng, X. Y.; Chen, L. M.; Ma, J. L.; Lu, X.; Wang, Z. H.; Wei, Z. Y.; Zhang, J.

2012-06-01

We report a plasma-based strong THz source generated in intense laser-solid interactions at relativistic intensities >1018 W/cm2. Energies up to 50 μJ/sr per THz pulse is observed when the laser pulses are incident onto a copper foil at 67.5°. The temporal properties of the THz radiation are measured by a single shot, electro-optic sampling method with a chirped laser pulse. The THz radiation is attributed to the self-organized transient fast electron currents formed along the target surface. Such a source allows potential applications in THz nonlinear physics and provides a diagnostic of transient currents generated in intense laser-solid interactions.

Electron spin resonance modes in a strong-leg ladder in the Tomonaga-Luttinger liquid phase

NASA Astrophysics Data System (ADS)

Ozerov, M.; Maksymenko, M.; Wosnitza, J.; Honecker, A.; Landee, C. P.; Turnbull, M. M.; Furuya, S. C.; Giamarchi, T.; Zvyagin, S. A.

2015-12-01

Magnetic excitations in the strong-leg quantum spin ladder compound (C7H10N) 2CuBr4 (known as DIMPY) in the field-induced Tomonaga-Luttinger spin-liquid phase are studied by means of high-field electron spin resonance (ESR) spectroscopy. The presence of a gapped ESR mode with unusual nonlinear frequency-field dependence is revealed experimentally. Using a combination of analytic and exact-diagonalization methods, we compute the dynamical structure factor and identify this mode with longitudinal excitations in the antisymmetric channel. We argue that these excitations constitute a fingerprint of the spin dynamics in a strong-leg spin-1/2 Heisenberg antiferromagnetic ladder and owe their ESR observability to the uniform Dzyaloshinskii-Moriya interaction.

Strong-potential Born calculations for electron capture

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

McGuire, J.H.; Sil, N.C.

1983-12-01

A closed-form expression for 1s-1s electron capture has been developed in the strong-potential Born (SPB) approximation. Terms of the order (Z/sub p//v)/sup 2/ are ignored in our expression, where Z/sub p/ is the charge of the projectile and v is the collision velocity. Our errors of order (Z/sub p//v)/sup 2/ are within the accuracy of the SPB approximation itself, which is valid to first order in the projectile-electron interaction V/sub p/ (and all orders in the stronger target potential V/sub T/). Calculations using our expression are in better agreement with experimental observations of the shape of the Thomas peak thanmore » are other calculations.« less

Variations of the Electron Fluxes in the Terrestrial Radiation Belts Due To the Impact of Corotating Interaction Regions and Interplanetary Coronal Mass Ejections

NASA Astrophysics Data System (ADS)

Benacquista, R.; Boscher, D.; Rochel, S.; Maget, V.

2018-02-01

In this paper, we study the variations of the radiation belts electron fluxes induced by the interaction of two types of solar wind structures with the Earth magnetosphere: the corotating interaction regions and the interplanetary coronal mass ejections. We use a statistical method based on the comparison of the preevent and postevent fluxes. Applied to the National Oceanic and Atmospheric Administration-Polar Operational Environmental Satellites data, this gives us the opportunity to extend previous studies focused on relativistic electrons at geosynchronous orbit. We enlighten how corotating interaction regions and Interplanetary Coronal Mass Ejections can impact differently the electron belts depending on the energy and the L shell. In addition, we provide a new insight concerning these variations by considering their amplitude. Finally, we show strong relations between the intensity of the magnetic storms related to the events and the variation of the flux. These relations concern both the capacity of the events to increase the flux and the deepness of these increases.

THz radiation from two electron-beams interaction within a bi-grating and a sub-wavelength holes array composite sandwich structure.

PubMed

Zhang, Yaxin; Zhou, Y; Dong, L

2013-09-23

Two electron-beams' interaction in a sandwich structure composed of a bi-grating and a sub-wavelength holes array is suggested to generate THz radiation in this paper. It shows that this system takes advantage of both bi-grating and sub-wavelength holes array structures. The results demonstrate that surface waves on a bi-grating can couple with mimicking surface plasmons of a sub-wavelength holes array so that the wave-coupling is strong and the field intensity is high in this structure. Moreover, compared with the interaction in the bi-grating structure and sub-wavelength holes array structure, respectively, it shows that in this composite system the two electron-beams' interaction is more efficient and the modulation depth and radiation intensity have been enhanced significantly. The modulation depth and efficiency can reach 22% and 4%, respectively, and the starting current density is only 12 A/cm². This radiation system may provide good opportunities for development of multi-electron beam-driven THz radiation sources.

Nonlinear stability of solar type 3 radio bursts. 1: Theory

NASA Technical Reports Server (NTRS)

Smith, R. A.; Goldstein, M. L.; Papadopoulos, K.

1978-01-01

A theory of the excitation of solar type 3 bursts is presented. Electrons initially unstable to the linear bump-in-tail instability are shown to rapidly amplify Langmuir waves to energy densities characteristic of strong turbulence. The three-dimensional equations which describe the strong coupling (wave-wave) interactions are derived. For parameters characteristic of the interplanetary medium the equations reduce to one dimension. In this case, the oscillating two stream instability (OTSI) is the dominant nonlinear instability, and is stablized through the production of nonlinear ion density fluctuations that efficiently scatter Langmuir waves out of resonance with the electron beam. An analytical model of the electron distribution function is also developed which is used to estimate the total energy losses suffered by the electron beam as it propagates from the solar corona to 1 A.U. and beyond.

Dynamical thermalization in isolated quantum dots and black holes

NASA Astrophysics Data System (ADS)

Kolovsky, Andrey R.; Shepelyansky, Dima L.

2017-01-01

We study numerically a model of quantum dot with interacting fermions. At strong interactions with small conductance the model is reduced to the Sachdev-Ye-Kitaev black-hole model while at weak interactions and large conductance it describes a Landau-Fermi liquid in a regime of quantum chaos. We show that above the Åberg threshold for interactions there is an onset of dynamical themalization with the Fermi-Dirac distribution describing the eigenstates of an isolated dot. At strong interactions in the isolated black-hole regime there is also the onset of dynamical thermalization with the entropy described by the quantum Gibbs distribution. This dynamical thermalization takes place in an isolated system without any contact with a thermostat. We discuss the possible realization of these regimes with quantum dots of 2D electrons and cold ions in optical lattices.

Physics Division annual report, 1 January-31 December 1984

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

Not Available

1985-10-01

A brief overview of each of the several areas of research is given with a list of resulting publications. Areas of research include electron-positron annihilation, neutrino interactions, neutrinoless double beta decay of /sup 100/Mo, double beta decay of /sup 76/Ge, antiproton-proton interactions, right-handed gauge boson effects, muon decay asymmetry parameter measurements, supernovae detection, Nemesis search, and detector development. Areas of theoretical research include electroweak interactions, strong interactions, nonperturbative dynamics, supersymmetry, and cosmology and particle physics. 34 figs. (WRF)

Shift of semimetal-semiconductor bond direction on “0 1 1” to “1 1 1” Bismuth quazi-two-dimension system

NASA Astrophysics Data System (ADS)

Yazdani, Ahmad; Hamreh, Sajad

2018-03-01

The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where • The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction. • the effect of L.S is more evident on the local density of state while it is not observable around the fermi level. • Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.

VLF wave-wave interaction experiments in the magnetosphere

NASA Technical Reports Server (NTRS)

Chang, D. C. D.

1978-01-01

VLF wave-wave interaction experiments were carried out by injecting various forms of VLF pulses into the magnetosphere from a 21.2 km dipole antenna at Siple, Antarctica. The injected signals propagate along a geomagnetic field line and often interact strongly with energetic electrons trapped in the radiation belts near the equator. Signals may be amplified and trigger emissions. These signals may then interact with one another through these energetic electrons. This report is divided into three parts. In the first part, simulations of VLF pulses propagating in the magnetosphere are carried out. In the second part, it is found for the first time that a 10 ms gap in a triggering wave can induce emission, which may then interact with the post-gap signals. In the third part, sideband triggering is reported for the first time.

Electron tomography and nano-diffraction enabling the investigation of individual magnetic nanoparticles inside fibers of MR visible implants

NASA Astrophysics Data System (ADS)

Slabu, I.; Wirch, N.; Caumanns, T.; Theissmann, R.; Krüger, M.; Schmitz-Rode, T.; Weirich, T. E.

2017-08-01

Superparamagnetic iron oxide nanoparticles (SPIONPs) incorporated into the base material of implants are used as contrast agents in magnetic resonance imaging for the delineation of the implants from the surrounding tissue. However, the delineation quality is strongly related to the structural characteristics of the incorporated SPIONPs and their interparticle interaction as well as their interaction with the polymer matrix of the implant. Consequently, a profound knowledge of the formation of aggregates inside the polymer matrix, which are responsible for strong interparticle interactions, and of their structural characteristics, is required for controlling the magnetic resonance image quality of the implants. In this work, transmission electron microscopy methods such as electron tomography and nano-electron diffraction were used to depict SPIONP aggregates inside the melt-spin polyvinylidene fluoride fibers used for the assembly of implants and to determine the crystal structure of individual nanocrystals inside these aggregates, respectively. Using these techniques it was possible for the first time to characterize the aggregates inside the fibers of implants and to validate the magnetization measurements that have been previously used to assess the interaction phenomena inside the fibers of implants. With electron tomography, inhomogeneously sized distributed aggregates were delineated and 3D models of these aggregates were constructed. Furthermore, the distribution of the aggregates inside the fibers was verified by means of magnetic force microscopy. With nano-diffraction measurements, the SPIONP crystal structure inside the fibers of the implant could not be clearly assigned to that of magnetite (Fe3O4) or maghemite (γ-Fe2O3). Therefore, additional electron energy loss spectroscopy measurements were performed, which revealed the presence of both phases of Fe3O4 and γ-Fe2O3, probably caused by oxidation processes during the manufacture of the fibers by melt-spinning.

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.

Simulations of Dynamical Friction Including Spatially-Varying Magnetic Fields

NASA Astrophysics Data System (ADS)

Bell, G. I.; Bruhwiler, D. L.; Litvinenko, V. N.; Busby, R.; Abell, D. T.; Messmer, P.; Veitzer, S.; Cary, J. R.

2006-03-01

A proposed luminosity upgrade to the Relativistic Heavy Ion Collider (RHIC) includes a novel electron cooling section, which would use ˜55 MeV electrons to cool fully-ionized 100 GeV/nucleon gold ions. We consider the dynamical friction force exerted on individual ions due to a relevant electron distribution. The electrons may be focussed by a strong solenoid field, with sensitive dependence on errors, or by a wiggler field. In the rest frame of the relativistic co-propagating electron and ion beams, where the friction force can be simulated for nonrelativistic motion and electrostatic fields, the Lorentz transform of these spatially-varying magnetic fields includes strong, rapidly-varying electric fields. Previous friction force simulations for unmagnetized electrons or error-free solenoids used a 4th-order Hermite algorithm, which is not well-suited for the inclusion of strong, rapidly-varying external fields. We present here a new algorithm for friction force simulations, using an exact two-body collision model to accurately resolve close interactions between electron/ion pairs. This field-free binary-collision model is combined with a modified Boris push, using an operator-splitting approach, to include the effects of external fields. The algorithm has been implemented in the VORPAL code and successfully benchmarked.

Configuration-specific electronic structure of strongly interacting interfaces: TiOPc on Cu(110)

NASA Astrophysics Data System (ADS)

Maughan, Bret; Zahl, Percy; Sutter, Peter; Monti, Oliver L. A.

2017-12-01

We use low-temperature scanning tunneling microscopy in combination with angle-resolved ultraviolet and two-photon photoemission spectroscopy to investigate the interfacial electronic structure of titanyl phthalocyanine (TiOPc) on Cu(110). We show that the presence of two unique molecular adsorption configurations is crucial for a molecular-level analysis of the hybridized interfacial electronic structure. Specifically, thermally induced self-assembly exposes marked adsorbate-configuration-specific contributions to the interfacial electronic structure. The results of this work demonstrate an avenue towards understanding and controlling interfacial electronic structure in chemisorbed films even for the case of complex film structure.

Antenna-coupled photon emission from hexagonal boron nitride tunnel junctions.

PubMed

Parzefall, M; Bharadwaj, P; Jain, A; Taniguchi, T; Watanabe, K; Novotny, L

2015-12-01

The ultrafast conversion of electrical signals to optical signals at the nanoscale is of fundamental interest for data processing, telecommunication and optical interconnects. However, the modulation bandwidths of semiconductor light-emitting diodes are limited by the spontaneous recombination rate of electron-hole pairs, and the footprint of electrically driven ultrafast lasers is too large for practical on-chip integration. A metal-insulator-metal tunnel junction approaches the ultimate size limit of electronic devices and its operating speed is fundamentally limited only by the tunnelling time. Here, we study the conversion of electrons (localized in vertical gold-hexagonal boron nitride-gold tunnel junctions) to free-space photons, mediated by resonant slot antennas. Optical antennas efficiently bridge the size mismatch between nanoscale volumes and far-field radiation and strongly enhance the electron-photon conversion efficiency. We achieve polarized, directional and resonantly enhanced light emission from inelastic electron tunnelling and establish a novel platform for studying the interaction of electrons with strongly localized electromagnetic fields.

Reconfiguring crystal and electronic structures of MoS 2 by substitutional doping

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

Suh, Joonki; Tan, Teck Leong; Zhao, Weijie

Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS 2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valencemore » band maximum of multilayer MoS 2 at the Γ point pushed upward by hybridization with the Nb states. Finally, when thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.« less

Reconfiguring crystal and electronic structures of MoS 2 by substitutional doping

DOE PAGES

Suh, Joonki; Tan, Teck Leong; Zhao, Weijie; ...

2018-01-15

Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS 2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valencemore » band maximum of multilayer MoS 2 at the Γ point pushed upward by hybridization with the Nb states. Finally, when thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.« less

Lunar surface magnetic fields and their interaction with the solar wind: results from lunar prospector

PubMed

Lin; Mitchell; Curtis; Anderson; Carlson; McFadden; Acuna; Hood; Binder

1998-09-04

The magnetometer and electron reflectometer experiment on the Lunar Prospector spacecraft has obtained maps of lunar crustal magnetic fields and observed the interaction between the solar wind and regions of strong crustal magnetic fields at high selenographic latitude (30 degreesS to 80 degreesS) and low ( approximately 100 kilometers) altitude. Electron reflection maps of the regions antipodal to the Imbrium and Serenitatis impact basins, extending to 80 degreesS latitude, show that crustal magnetic fields fill most of the antipodal zones of those basins. This finding provides further evidence for the hypothesis that basin-forming impacts result in magnetization of the lunar crust at their antipodes. The crustal magnetic fields of the Imbrium antipode region are strong enough to deflect the solar wind and form a miniature (100 to several hundred kilometers across) magnetosphere, magnetosheath, and bow shock system.

Influence of the electron-cation interaction on electron mobility in dye-sensitized ZnO and TiO2 nanocrystals: a study using ultrafast terahertz spectroscopy.

PubMed

Nemec, H; Rochford, J; Taratula, O; Galoppini, E; Kuzel, P; Polívka, T; Yartsev, A; Sundström, V

2010-05-14

Charge transport and recombination in nanostructured semiconductors are poorly understood key processes in dye-sensitized solar cells. We have employed time-resolved spectroscopies in the terahertz and visible spectral regions supplemented with Monte Carlo simulations to obtain unique information on these processes. Our results show that charge transport in the active solar cell material can be very different from that in nonsensitized semiconductors, due to strong electrostatic interaction between injected electrons and dye cations at the surface of the semiconductor nanoparticle. For ZnO, this leads to formation of an electron-cation complex which causes fast charge recombination and dramatically decreases the electron mobility even after the dissociation of the complex. Sensitized TiO2 does not suffer from this problem due to its high permittivity efficiently screening the charges.

Magnetic edge states in Aharonov-Bohm graphene quantum rings

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

Farghadan, R., E-mail: rfarghadan@kashanu.ac.ir; Heidari Semiromi, E.; Saffarzadeh, A.

2013-12-07

The effect of electron-electron interaction on the electronic structure of Aharonov-Bohm (AB) graphene quantum rings (GQRs) is explored theoretically using the single-band tight-binding Hamiltonian and the mean-field Hubbard model. The electronic states and magnetic properties of hexagonal, triangular, and circular GQRs with different sizes and zigzag edge terminations are studied. The results show that, although the AB oscillations in the all types of nanoring are affected by the interaction, the spin splitting in the AB oscillations strongly depends on the geometry and the size of graphene nanorings. We found that the total spin of hexagonal and circular rings is zeromore » and therefore, no spin splitting can be observed in the AB oscillations. However, the non-zero magnetization of the triangular rings breaks the degeneracy between spin-up and spin-down electrons, which produces spin-polarized AB oscillations.« less

Non-equilibrium magnetic interactions in strongly correlated systems

NASA Astrophysics Data System (ADS)

Secchi, A.; Brener, S.; Lichtenstein, A. I.; Katsnelson, M. I.

2013-06-01

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii-Moriya coupling, but is not due to spin-orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well.

Inelastic ponderomotive scattering of electrons at a high-intensity optical travelling wave in vacuum

NASA Astrophysics Data System (ADS)

Kozák, M.; Eckstein, T.; Schönenberger, N.; Hommelhoff, P.

2018-02-01

In the early days of quantum mechanics Kapitza and Dirac predicted that matter waves would scatter off the optical intensity grating formed by two counter-propagating light waves. This interaction, driven by the ponderomotive potential of the optical standing wave, was both studied theoretically and demonstrated experimentally for atoms and electrons. In the original version of the experiment, only the transverse momentum of particles was varied, but their energy and longitudinal momentum remained unchanged after the interaction. Here, we report on the generalization of the Kapitza-Dirac effect. We demonstrate that the energy of sub-relativistic electrons is strongly modulated on the few-femtosecond timescale via the interaction with a travelling wave created in vacuum by two colliding laser pulses at different frequencies. This effect extends the possibilities of temporal control of freely propagating particles with coherent light and can serve the attosecond ballistic bunching of electrons, or for the acceleration of neutral atoms or molecules by light.

Relativistic laser-plasma interactions in the quantum regime.

PubMed

Eliasson, Bengt; Shukla, P K

2011-04-01

We consider nonlinear interactions between a relativistically strong laser beam and a plasma in the quantum regime. The collective behavior of electrons is modeled by a Klein-Gordon equation, which is nonlinearly coupled with the electromagnetic wave through the Maxwell and Poisson equations. This allows us to study nonlinear interactions between arbitrarily large-amplitude electromagnetic waves and a quantum plasma. We have used our system of nonlinear equations to study theoretically the parametric instabilities involving stimulated Raman scattering and modulational instabilities. A model for quasi-steady-state propagating electromagnetic wave packets is also derived, and which shows possibility of localized solitary structures in a quantum plasma. Numerical simulations demonstrate collapse and acceleration of electrons in the nonlinear stage of the modulational instability, as well as possibility of the wake-field acceleration of electrons to relativistic speeds by short laser pulses at nanometer length scales. Our study is relevant for understanding the localization of intense electromagnetic pulses in a quantum plasma with extremely high electron densities and relatively low temperature.

Microscopic origin of magnetism and magnetic interactions in ferropnictides

NASA Astrophysics Data System (ADS)

Johannes, M. D.; Mazin, I. I.

2009-06-01

One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these are itinerant weakly correlated metallic systems that become magnetic by virtue of spin-Peierls-type transition due to near nesting between the hole and the electron Fermi-surface pockets. The other argues that these materials are strongly or at least moderately correlated and the electrons are considerably localized and close to a Mott-Hubbard transition, with the local magnetic moments interacting via short-range superexchange. In this Rapid Communication we argue that neither picture is fully correct. The systems are moderately correlated but with correlations driven by Hund’s rule coupling rather than by the on-site Hubbard repulsion. The iron moments are largely local, driven by Hund’s intra-atomic exchange. Superexchange is not operative, and the interactions between the Fe moments are considerably long range and driven mostly by one-electron energies of all occupied states.

Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.

PubMed

Liu, Xiaofei; Hermann, Jan; Tkatchenko, Alexandre

2016-12-28

Stimuli-responsive metal-organic frameworks (MOFs) and other framework materials exhibit a broad variety of useful properties, which mainly stem from an interplay of strong covalent bonds within the organic linkers with presumably weak van der Waals (vdW) interactions which determine the overall packing of the framework constituents. Using Ag 3 Co(CN) 6 as a fundamental test case-a system with a colossal positive and negative thermal expansion [A. L. Goodwin et al., Science 319, 794 (2008)]-we demonstrate that its structure, stability, dielectric, vibrational, and mechanical properties are critically influenced by many-body electronic correlation contributions to non-covalent vdW interactions. The Ag 3 Co(CN) 6 framework is a remarkable molecular crystal, being visibly stabilized, rather than destabilized, by many-body vdW correlations. A detailed comparison with H 3 Co(CN) 6 highlights the crucial role of strongly polarized metallophilic interactions in dictating the exceptional properties of denser MOFs. Beyond MOFs, our findings indicate that many-body electronic correlations can substantially stabilize polarizable materials, providing a novel mechanism for tuning the properties of nanomaterials with intricate structural motifs.

Thiophenic compounds adsorption on Na(I)Y and rare earth exchanged Y zeolites: a density functional theory study.

PubMed

Gao, Xionghou; Geng, Wei; Zhang, Haitao; Zhao, Xuefei; Yao, Xiaojun

2013-11-01

We have theoretically investigated the adsorption of thiophene, benzothiophene, dibenzothiophene on Na(I)Y and rare earth exchanged La(III)Y, Ce(III)Y, Pr(III)Y Nd(III)Y zeolites by density functional theory calculations. The calculated results show that except benzothiophene adsorbed on Na(I)Y with a stand configuration, the stable adsorption structures of other thiophenic compounds on zeolites exhibit lying configurations. Adsorption energies of thiophenic compounds on the Na(I)Y are very low, and decrease with the increase of the number of benzene rings in thiophenic compounds. All rare earth exchanged zeolites exhibit strong interaction with thiophene. La(III)Y and Nd(III)Y zeolites are found to show enhanced adsorption energies to benzothiophene and Pr(III)Y zeolites are favorable for dibenzothiophene adsorption. The analysis of the electronic total charge density and electron orbital overlaps show that the thiophenic compounds interact with zeolites by π-electrons of thiophene ring and exchanged metal atom. Mulliken charge populations analysis reveals that adsorption energies are strongly dependent on the charge transfer of thiophenic molecule and exchanged metal atom.

d +i d chiral superconductivity in a triangular lattice from trigonal bipyramidal complexes

NASA Astrophysics Data System (ADS)

Lu, Chen; Zhang, Li-Da; Wu, Xianxin; Yang, Fan; Hu, Jiangping

2018-04-01

We model the newly predicted high-Tc superconducting candidates constructed by corner-shared trigonal bipyramidal complexes with an effective three-orbital tight-binding Hamiltonian and investigate the pairing symmetry of their superconducting states driven by electron-electron interactions. Our combined weak- and strong-coupling-based calculations consistently identify the chiral d +i d superconductivity as the leading pairing symmetry in a wide doping range with realistic interaction parameters. This pairing state has a nontrivial topological Chern number and can host gapless chiral edge modes, and the vortex cores under magnetic field can carry Majorana zero modes.

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.

Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi

DOE PAGES

Satpathy, S.; Shanavas, K. V.

2016-05-02

Here, the metallic helimagnet MnSi has been found to exhibit skyrmionic spin textures when subjected to magnetic fields at low temperatures. The Dzyaloshinskii-Moriya (DM) interaction plays a key role in stabilizing the skyrmion state. With the help of first-principles calculations, crystal field theory and a tight-binding model we study the electronic structure and the origin of the DM interaction in the B20 phase of MnSi. The strength ofmore » $$\\vec{D}$$ parameter is determined by the magnitude of the spin-orbit interaction and the degree of orbital mixing, induced by the symmetry-breaking distortions in the B20 phase. We find that, strong coupling between Mn-$d$ and Si-$p$ states lead to a mixed valence ground state $$|d^{7-x}p^{2+x}\\rangle$$ configuration. The experimental magnetic moment of $$0.4~\\mu_B$$ is consistent with the Coulomb-corrected DFT+$U$ calculations, which redistributes electrons between the majority and minority spin channels. We derive the magnetic interaction parameters $J$ and $$\\vec{D}$$ for Mn-Si-Mn superexchange paths using Moriya's theory assuming the interaction to be mediated by $$e_g$$ electrons near the Fermi level. Finally, using parameters from our calculations, we get reasonable agreement with the observations.« less

Strongly correlated surface states

NASA Astrophysics Data System (ADS)

Alexandrov, Victor A.

Everything has an edge. However trivial, this phrase has dominated theoretical condensed matter in the past half a decade. Prior to that, questions involving the edge considered to be more of an engineering problem rather than a one of fundamental science: it seemed self-evident that every edge is different. However, recent advances proved that many surface properties enjoy a certain universality, and moreover, are 'topologically' protected. In this thesis I discuss a selected range of problems that bring together topological properties of surface states and strong interactions. Strong interactions alone can lead to a wide spectrum of emergent phenomena: from high temperature superconductivity to unconventional magnetic ordering; interactions can change the properties of particles, from heavy electrons to fractional charges. It is a unique challenge to bring these two topics together. The thesis begins by describing a family of methods and models with interactions so high that electrons effectively disappear as particles and new bound states arise. By invoking the AdS/CFT correspondence we can mimic the physical systems of interest as living on the surface of a higher dimensional universe with a black hole. In a specific example we investigate the properties of the surface states and find helical spin structure of emerged particles. The thesis proceeds from helical particles on the surface of black hole to a surface of samarium hexaboride: an f-electron material with localized magnetic moments at every site. Interactions between electrons in the bulk lead to insulating behavior, but the surfaces found to be conducting. This observation motivated an extensive research: weather the origin of conduction is of a topological nature. Among our main results, we confirm theoretically the topological properties of SmB6; introduce a new framework to address similar questions for this type of insulators, called Kondo insulators. Most notably we introduce the idea of Kondo band banding (KBB): a modification of edges and their properties due to interactions. We study (chapter 5) a simplified 1D Kondo model, showing that the topology of its ground state is unstable to KBB. Chapter 6 expands the study to 3D: we argue that not only KBB preserves the topology but it could also explain the experimentally observed anomalously high Fermi velocity at the surface as the case of large KBB effect.

Modification of the Interfacial Interaction between Carbon Fiber and Epoxy with Carbon Hybrid Materials

PubMed Central

Yu, Kejing; Wang, Menglei; Wu, Junqing; Qian, Kun; Sun, Jie; Lu, Xuefeng

2016-01-01

The mechanical properties of the hybrid materials and epoxy and carbon fiber (CF) composites were improved significantly as compared to the CF composites made from unmodified epoxy. The reasons could be attributed to the strong interfacial interaction between the CF and the epoxy composites for the existence of carbon nanomaterials. The microstructure and dispersion of carbon nanomaterials were characterized by transmission electron microscopy (TEM) and optical microscopy (OM). The results showed that the dispersion of the hybrid materials in the polymer was superior to other carbon nanomaterials. The high viscosity and shear stress characterized by a rheometer and the high interfacial friction and damping behavior characterized by dynamic mechanical analysis (DMA) indicated that the strong interfacial interaction was greatly improved between fibers and epoxy composites. Remarkably, the tensile tests presented that the CF composites with hybrid materials and epoxy composites have a better reinforcing and toughening effect on CF, which further verified the strong interfacial interaction between epoxy and CF for special structural hybrid materials. PMID:28335217

Electron-phonon effects in graphene and an armchair (10,10) single-wall carbon nanotube

NASA Astrophysics Data System (ADS)

Woods, Lilia Milcheva Rapatinska

New effects due to the electron-phonon interaction in some low-dimensional tight-binding systems are discussed. A sheet of graphite (two-dimensional) and an armchair single wall carbon nanotube (SWNT) (quasi-one dimensional) are taken as examples. The geometrical structure and the linear dispersion of the energy with respect to the electron wave vector are expected to play a significant role. For the ordinary electron-phonon coupling which includes modulated hopping and linear electron-phonon interaction the matrix elements for both systems are derived in the context of a two parameter model for the phonon vibrational spectrum. It is found that they (for both structures) strongly depend on the geometry, display a deformation type of potential and are reduced by a factor of (1 - R), where R depends uniquely on the introduced phonon parameters. Next a new type of interaction is derived; it arises from the phonon modulation of the electron-electron interaction. After writing the matrix elements for the new Hamiltonian, the problem is considered in the context of many body physics. There are two contributions. One of them is the random phase approximation with one phonon line. The electron self-energy for it is calculated. It is shown that one might expect that this is not a large effect. Analytical expressions are obtained for the armchair single wall carbon nanotube. The exchange interaction in the one-phonon approximation is another term that arises and is also considered. One is able to write four new Feynman diagrams and derive an expression for -ImSk⃗ . The contribution from this type of coupling could be large and comparable to the one from the modulated hopping. These results are supported by numerical estimates of some characteristics of graphene and SWNT. The values of the electron-phonon coupling constant, lambda, and the electron lifetime, tau, are compared between the traditional electron-phonon interaction and the phonon modulated electron-electron interaction. Finally, for a perfect (defect-free) arm chair SWNT the diffusion thermopower and the phonon drag thermopower should be zero because of the complete symmetry of the energy bands of the system.

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.

Approaching quantum anomalous Hall effect in proximity-coupled YIG/graphene/h-BN sandwich structure

NASA Astrophysics Data System (ADS)

Tang, Chi; Cheng, Bin; Aldosary, Mohammed; Wang, Zhiyong; Jiang, Zilong; Watanabe, K.; Taniguchi, T.; Bockrath, Marc; Shi, Jing

2018-02-01

Quantum anomalous Hall state is expected to emerge in Dirac electron systems such as graphene under both sufficiently strong exchange and spin-orbit interactions. In pristine graphene, neither interaction exists; however, both interactions can be acquired by coupling graphene to a magnetic insulator as revealed by the anomalous Hall effect. Here, we show enhanced magnetic proximity coupling by sandwiching graphene between a ferrimagnetic insulator yttrium iron garnet (YIG) and hexagonal-boron nitride (h-BN) which also serves as a top gate dielectric. By sweeping the top-gate voltage, we observe Fermi level-dependent anomalous Hall conductance. As the Dirac point is approached from both electron and hole sides, the anomalous Hall conductance reaches ¼ of the quantum anomalous Hall conductance 2e2/h. The exchange coupling strength is determined to be as high as 27 meV from the transition temperature of the induced magnetic phase. YIG/graphene/h-BN is an excellent heterostructure for demonstrating proximity-induced interactions in two-dimensional electron systems.

Search for exotic short-range interactions using paramagnetic insulators

DOE PAGES

Chu, Pinghan; Weisman, E.; Liu, C. -Y.; ...

2015-05-26

We describe a proposed experimental search for exotic spin-coupled interactions using a solid-state paramagnetic insulator. The experiment is sensitive to the net magnetization induced by the exotic interaction between the unpaired insulator electrons with a dense, nonmagnetic mass in close proximity. An existing experiment has been used to set limits on the electric dipole moment of the electron by probing the magnetization induced in a cryogenic gadolinium gallium garnet sample on application of a strong electric field. With suitable additions, including a movable source mass, this experiment can be used to explore “monopole-dipole” forces on polarized electrons with unique ormore » unprecedented sensitivity. As a result, the solid-state, nonmagnetic construction, combined with the low-noise conditions and extremely sensitive magnetometry available at cryogenic temperatures could lead to a sensitivity over 10 orders of magnitude greater than exiting limits in the range below 1 mm.« less

Superconductivity. Quasiparticle mass enhancement approaching optimal doping in a high-T(c) superconductor.

PubMed

Ramshaw, B J; Sebastian, S E; McDonald, R D; Day, James; Tan, B S; Zhu, Z; Betts, J B; Liang, Ruixing; Bonn, D A; Hardy, W N; Harrison, N

2015-04-17

In the quest for superconductors with higher transition temperatures (T(c)), one emerging motif is that electronic interactions favorable for superconductivity can be enhanced by fluctuations of a broken-symmetry phase. Recent experiments have suggested the existence of the requisite broken-symmetry phase in the high-T(c) cuprates, but the impact of such a phase on the ground-state electronic interactions has remained unclear. We used magnetic fields exceeding 90 tesla to access the underlying metallic state of the cuprate YBa2Cu3O(6+δ) over a wide range of doping, and observed magnetic quantum oscillations that reveal a strong enhancement of the quasiparticle effective mass toward optimal doping. This mass enhancement results from increasing electronic interactions approaching optimal doping, and suggests a quantum critical point at a hole doping of p(crit) ≈ 0.18. Copyright © 2015, American Association for the Advancement of Science.

Wave Phenomena and Beam-Plasma Interactions at the Magnetopause Reconnection Region

NASA Astrophysics Data System (ADS)

Burch, J. L.; Webster, J. M.; Genestreti, K. J.; Torbert, R. B.; Giles, B. L.; Fuselier, S. A.; Dorelli, J. C.; Rager, A. C.; Phan, T. D.; Allen, R. C.; Chen, L.-J.; Wang, S.; Le Contel, O.; Russell, C. T.; Strangeway, R. J.; Ergun, R. E.; Jaynes, A. N.; Lindqvist, P.-A.; Graham, D. B.; Wilder, F. D.; Hwang, K.-J.; Goldstein, J.

2018-02-01

This paper reports on Magnetospheric Multiscale observations of whistler mode chorus and higher-frequency electrostatic waves near and within a reconnection diffusion region on 23 November 2016. The diffusion region is bounded by crescent-shaped electron distributions and associated dissipation just upstream of the X-line and by magnetic field-aligned currents and electric fields leading to dissipation near the electron stagnation point. Measurements were made southward of the X-line as determined by southward directed ion and electron jets. We show that electrostatic wave generation is due to magnetosheath electron beams formed by the electron jets as they interact with a cold background plasma and more energetic population of magnetospheric electrons. On the magnetosphere side of the X-line the electron beams are accompanied by a strong perpendicular electron temperature anisotropy, which is shown to be the source of an observed rising-tone whistler mode chorus event. We show that the apex of the chorus event and the onset of electrostatic waves coincide with the opening of magnetic field lines at the electron stagnation point.

Learning from Higgs physics at future Higgs factories

NASA Astrophysics Data System (ADS)

Gu, Jiayin; Li, Honglei; Liu, Zhen; Su, Shufang; Su, Wei

2017-12-01

Future Higgs factories can reach impressive precision on Higgs property measurements. In this paper, instead of conventional focus of Higgs precision in certain interaction bases, we explore its sensitivity to new physics models at the electron-positron colliders. In particular, we study two categories of new physics models, Standard Model (SM) with a real scalar singlet extension, and Two Higgs Double Model (2HDM) as examples of weakly-interacting models, Minimal Composite Higgs Model (MCHM) and three typical patterns of the more general operator counting for strong interacting models as examples of strong dynamics. We perform a global fit to various Higgs search channels to obtain the 95% C.L. constraints on the model parameter space. In the SM with a singlet extension, we obtain the limits on the singlet-doublet mixing angle sin θ, as well as the more general Wilson coefficients of the induced higher dimensional operators. In the 2HDM, we analyze tree level effects in tan β vs. cos( β - α) plane, as well as the one-loop contributions from the heavy Higgs bosons in the alignment limit to obtain the constraints on heavy Higgs masses for different types of 2HDM. In strong dynamics models, we obtain lower limits on the strong dynamics scale. In addition, once deviations of Higgs couplings are observed, they can be used to distinguish different models. We also compare the sensitivity of various future Higgs factories, namely Circular Electron Positron Collider (CEPC), Future Circular Collider (FCC)-ee and International Linear Collider (ILC).

Extinction properties of single-walled carbon nanotubes: Two-fluid model

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

Moradi, Afshin, E-mail: a.moradi@kut.ac.ir

The extinction spectra of a single-walled carbon nanotube are investigated, within the framework of the vector wave function method in conjunction with the hydrodynamic model. Both polarizations of the incident plane wave (TE and TM with respect to the x-z plane) are treated. Electronic excitations on the nanotube surface are modeled by an infinitesimally thin layer of a two-dimensional electron gas represented by two interacting fluids, which takes into account the different nature of the σ and π electrons. Numerical results show that strong interaction between the fluids gives rise to the splitting of the extinction spectra into two peaksmore » in quantitative agreement with the π and σ + π plasmon energies.« less

Spin-Orbital Excitation Continuum and Anomalous Electron-Phonon Interaction in the Mott Insulator LaTiO3

NASA Astrophysics Data System (ADS)

Ulrich, C.; Khaliullin, G.; Guennou, M.; Roth, H.; Lorenz, T.; Keimer, B.

2015-10-01

Raman scattering experiments on stoichiometric, Mott-insulating LaTiO3 over a wide range of excitation energies reveal a broad electronic continuum which is featureless in the paramagnetic state, but develops a gap of ˜800 cm-1 upon cooling below the Néel temperature TN=146 K . In the antiferromagnetic state, the spectral weight below the gap is transferred to well-defined spectral features due to spin and orbital excitations. Low-energy phonons exhibit pronounced Fano anomalies indicative of strong interaction with the electron system for T >TN , but become sharp and symmetric for T

Spin-orbit coupling and transport in strongly correlated two-dimensional systems

NASA Astrophysics Data System (ADS)

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

2017-05-01

Measuring the magnetoresistance (MR) of ultraclean GaAs two-dimensional holes for a large rs range of 20-50, two striking behaviors in relation to the spin-orbit coupling (SOC) emerge in response to strong electron-electron interaction. First, in exact correspondence to the zero-field metal-to-insulator transition (MIT), the sign of the MR switches from being positive in the metallic regime to being negative in the insulating regime when the carrier density crosses the critical density pc of MIT (rs˜39 ). Second, as the SOC-driven correction Δ ρ to the MR decreases with reducing carrier density (or the in-plane wave vector), it exhibits an upturn in the close proximity just above pc where rs is beyond 30, indicating a substantially enhanced SOC effect. This peculiar behavior echoes with a trend of delocalization long suspected for the SOC-interaction interplay. Meanwhile, for p 40 , in contrast to the common belief that a magnet field enhances Wigner crystallization, the negative MR is likely linked to enhanced interaction.

A non-Hermitian analysis of strongly correlated quantum systems

NASA Astrophysics Data System (ADS)

Nakamura, Yuichi; Hatano, Naomichi

2006-03-01

We study a non-Hermitian generalization of strongly correlated quantum systems in which the transfer energy of electrons is asymmetric. Hatano and Nelson[1] applied this technique to non-interacting random electron systems. They related a non-Hermitian critical point to the inverse localization length of the Hermitian systems. We here conjecture that we can obtain in the same way the correlation length of Hermitian interacting non-random systems[2]. We show for the Hubbard model and the antiferromagnetic XXZ model in one dimension that the non-Hermitian critical point of the ground state, where the energy gap vanishes, is equal to the inverse correlation length. We also show that the conjecture is consistent with numerical results for S=1/2 frustrated quantum spin chains with the nearest- and next-nearest-neighbor interactions including the Majumdar-Ghosh model[3]. [1] N. Hatano and D. R. Nelson, PRL 77 (1996) 570; PRB 56 (1997) 8651. [2] Y. Nakamura and N. Hatano, Physica B, accepted. [3] C. K. Majumdar and D. K. Ghosh, J. Phys. C3 (1970) 911; J. Math. Phys. 10 (1969) 1388, 1399.

Photoinduced Electron Transfer in the Strong Coupling Regime: Waveguide-Plasmon Polaritons.

PubMed

Zeng, Peng; Cadusch, Jasper; Chakraborty, Debadi; Smith, Trevor A; Roberts, Ann; Sader, John E; Davis, Timothy J; Gómez, Daniel E

2016-04-13

Reversible exchange of photons between a material and an optical cavity can lead to the formation of hybrid light-matter states where material properties such as the work function [ Hutchison et al. Adv. Mater. 2013 , 25 , 2481 - 2485 ], chemical reactivity [ Hutchison et al. Angew. Chem., Int. Ed. 2012 , 51 , 1592 - 1596 ], ultrafast energy relaxation [ Salomon et al. Angew. Chem., Int. Ed. 2009 , 48 , 8748 - 8751 ; Gomez et al. J. Phys. Chem. B 2013 , 117 , 4340 - 4346 ], and electrical conductivity [ Orgiu et al. Nat. Mater. 2015 , 14 , 1123 - 1129 ] of matter differ significantly to those of the same material in the absence of strong interactions with the electromagnetic fields. Here we show that strong light-matter coupling between confined photons on a semiconductor waveguide and localized plasmon resonances on metal nanowires modifies the efficiency of the photoinduced charge-transfer rate of plasmonic derived (hot) electrons into accepting states in the semiconductor material. Ultrafast spectroscopy measurements reveal a strong correlation between the amplitude of the transient signals, attributed to electrons residing in the semiconductor and the hybridization of waveguide and plasmon excitations.

Solar Wind 0.1-1 keV Electrons in the Corotating Interaction Regions

NASA Astrophysics Data System (ADS)

Wang, L.; Tao, J.; Li, G.; Wimmer-Schweingruber, R. F.; Jian, L. K.; He, J.; Tu, C.; Tian, H.; Bale, S. D.

2017-12-01

Here we present a statistical study of the 0.1-1 keV suprathermal electrons in the undisturbed and compressed slow/fast solar wind, for the 71 corotating interaction regions (CIRs) with good measurements from the WIND 3DP and MFI instruments from 1995 to 1997. For each of these CIRs, we separate the strahl and halo electrons based on their different behaviors in pitch angle distributions in the undisturbed and compressed solar wind. We fit both the strahl and halo energy spectra to a kappa function with an index κ index and effective temperature Teff, and calculate the pitch-angle width at half-maximum (PAHM) of the strahl population. We also integrate the electron measurements between 0.1 and 1.0 keV to obtain the number density n and average energy Eavg for the strahl and halo populations. We find that for both the strahl and halo populations within and around these CIRs, the fitted κ index strongly correlates with Teff, similar to the quiet-time solar wind (Tao et al., ApJ, 2016). The number density of both the strahl and halo shows a strong positive correlation with the electron core temperature. The strahl number density ns is correlated with the magnitude of interplanetary magnetic field, and the strahl PAHM width is anti-correlated with the solar wind speed. These results suggest that the origin of strahl electrons from the solar corona is likely related to the electron core temperature and magnetic field strength, while the production of halo electrons in the interplanetary medium could depend on the solar wind velocity.

Two-Photon Study on the Electronic Interactions between the First Excited Singlet States in Carotenoid-Tetrapyrrole Dyads

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

Liao, Pen-Nan; Pillai, Smitha; Gust, Devens

Electronic interactions between the first excited states (S 1) of carotenoids (Car) of different conjugation lengths (8-11 double bonds) and phthalocyanines (Pc) in different Car-Pc dyad molecules were investigated by two-photon spectroscopy and compared with Car S 1-chlorophyll (Chl) interactions in photosynthetic light harvesting complexes (LHCs). The observation of Chl/Pc fluorescence after selective two-photon excitation of the Car S 1 state allowed sensitive monitoring of the flow of energy between Car S 1 and Pc or Chl. It is found that two-photon excitation excites to about 80% to 100% exclusively the carotenoid state Car S 1 and that only amore » small fraction of direct tetrapyrrole two-photon excitation occurs. Amide-linked Car-Pc dyads in tetrahydrofuran demonstrate a molecular gear shift mechanism in that effective Car S 1 → Pc energy transfer is observed in a dyad with 9 double bonds in the carotenoid, whereas in similar dyads with 11 double bonds in the carotenoid, the Pc fluorescence is strongly quenched by Pc → Car S 1 energy transfer. In phenylamino-linked Car-Pc dyads in toluene extremely large electronic interactions between the Car S 1 state and Pc were observed, particularly in the case of a dyad in which the carotenoid contained 10 double bonds. This observation together with previous findings in the same system provides strong evidence for excitonic Car S 1-Pc Q y interactions. Very similar results were observed with photosynthetic LHC II complexes in the past, supporting an important role of such interactions in photosynthetic down-regulation.« less

Temporal-spatial measurement of electron relaxation time in femtosecond laser induced plasma using two-color pump-probe imaging technique

NASA Astrophysics Data System (ADS)

Pan, Changji; Jiang, Lan; Wang, Qingsong; Sun, Jingya; Wang, Guoyan; Lu, Yongfeng

2018-05-01

The femtosecond (fs) laser is a powerful tool to study ultrafast plasma dynamics, especially electron relaxation in strong ionization of dielectrics. Herein, temporal-spatial evolution of femtosecond laser induced plasma in fused silica was investigated using a two-color pump-probe technique (i.e., 400 nm and 800 nm, respectively). We demonstrated that when ionized electron density is lower than the critical density, free electron relaxation time is inversely proportional to electron density, which can be explained by the electron-ion scattering regime. In addition, electron density evolution within plasma was analyzed in an early stage (first 800 fs) of the laser-material interaction.

Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface

NASA Astrophysics Data System (ADS)

Jałochowski, M.; Kwapiński, T.; Łukasik, P.; Nita, P.; Kopciuszyński, M.

2016-07-01

Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed.

Electrical and Thermal Transport in Inhomogeneous Luttinger Liquids

DOE PAGES

DeGottardi, Wade; Matveev, K. A.

2015-06-12

In this paper, we study the transport properties of long quantum wires by generalizing the Luttinger liquid approach to allow for the finite lifetime of the bosonic excitations. Our theory accounts for long-range disorder and strong electron interactions, both of which are common features of experiments with quantum wires. We obtain the electrical and thermal resistances and thermoelectric properties of such quantum wires and find a strong deviation from perfect conductance quantization. Finally, we cast our results in terms of the thermal conductivity and bulk viscosity of the electron liquid and give the temperature scale above which the transport canmore » be described by classical hydrodynamics.« less

Strong Local-Field Enhancement of the Nonlinear Soft-Mode Response in a Molecular Crystal

NASA Astrophysics Data System (ADS)

Folpini, Giulia; Reimann, Klaus; Woerner, Michael; Elsaesser, Thomas; Hoja, Johannes; Tkatchenko, Alexandre

2017-09-01

The nonlinear response of soft-mode excitations in polycrystalline acetylsalicylic acid (aspirin) is studied with two-dimensional terahertz spectroscopy. We demonstrate that the correlation of CH3 rotational modes with collective oscillations of π electrons drives the system into the nonperturbative regime of light-matter interaction, even for a moderate strength of the THz driving field on the order of 50 kV /cm . Nonlinear absorption around 1.1 THz leads to a blueshifted coherent emission at 1.7 THz, revealing the dynamic breakup of the strong electron-phonon correlations. The observed behavior is reproduced by theoretical calculations including dynamic local-field correlations.

Theoretical investigation of the electronic structure and quantum transport in the graphene-C(111) diamond surface system.

PubMed

Selli, Daniele; Baburin, Igor; Leoni, Stefano; Zhu, Zhen; Tománek, David; Seifert, Gotthard

2013-10-30

We investigate the interaction of a graphene monolayer with the C(111) diamond surface using ab initio density functional theory. To accommodate the lattice mismatch between graphene and diamond, the overlayer deforms into a wavy structure that binds strongly to the diamond substrate. The detached ridges of the wavy graphene overlayer behave electronically as free-standing polyacetylene chains with delocalized π electrons, separated by regions containing only sp(3) carbon atoms covalently bonded to the (111) diamond surface. We performed quantum transport calculations for different geometries of the system to study how the buckling of the graphene layer and the associated bonding to the diamond substrate affect the transport properties. The system displays high carrier mobility along the ridges and a wide transport gap in the direction normal to the ridges. These intriguing, strongly anisotropic transport properties qualify the hybrid graphene-diamond system as a viable candidate for electronic nanodevices.

On the stability of the electronic system in transition metal dichalcogenides.

PubMed

Faraggi, M N; Zubizarreta, X; Arnau, A; Silkin, V M

2016-05-11

Based on first-principles calculations, we prove that the origin of charge-density wave formation in metallic layered transition metal dichalcogenides (TMDC) is not due to an electronic effect, like the Fermi surface (FS) nesting, as it had been proposed. In particular, we consider NbSe2, NbS2, TaSe2, and TaS2 as representative examples of 2H-TMDC polytypes. Our main result consists that explicit inclusion of the matrix elements in first-principles calculations of the electron susceptibility [Formula: see text] removes, due to strong momentum dependence of the matrix elements, almost all the information about the FS topologies in the resulting [Formula: see text]. This finding strongly supports an interpretation in which the momentum dependence of the electron-phonon interaction is the only reason why the phenomenon of charge-density waves appears in this class of materials.

A time-dependent order parameter for ultrafast photoinduced phase transitions.

PubMed

Beaud, P; Caviezel, A; Mariager, S O; Rettig, L; Ingold, G; Dornes, C; Huang, S-W; Johnson, J A; Radovic, M; Huber, T; Kubacka, T; Ferrer, A; Lemke, H T; Chollet, M; Zhu, D; Glownia, J M; Sikorski, M; Robert, A; Wadati, H; Nakamura, M; Kawasaki, M; Tokura, Y; Johnson, S L; Staub, U

2014-10-01

Strongly correlated electron systems often exhibit very strong interactions between structural and electronic degrees of freedom that lead to complex and interesting phase diagrams. For technological applications of these materials it is important to learn how to drive transitions from one phase to another. A key question here is the ultimate speed of such phase transitions, and to understand how a phase transition evolves in the time domain. Here we apply time-resolved X-ray diffraction to directly measure the changes in long-range order during ultrafast melting of the charge and orbitally ordered phase in a perovskite manganite. We find that although the actual change in crystal symmetry associated with this transition occurs over different timescales characteristic of the many electronic and vibrational coordinates of the system, the dynamics of the phase transformation can be well described using a single time-dependent 'order parameter' that depends exclusively on the electronic excitation.

Resonant Thermalization of Periodically Driven Strongly Correlated Electrons

NASA Astrophysics Data System (ADS)

Peronaci, Francesco; Schiró, Marco; Parcollet, Olivier

2018-05-01

We study the dynamics of the Fermi-Hubbard model driven by a time-periodic modulation of the interaction within nonequilibrium dynamical mean-field theory. For moderate interaction, we find clear evidence of thermalization to a genuine infinite-temperature state with no residual oscillations. Quite differently, in the strongly correlated regime, we find a quasistationary extremely long-lived state with oscillations synchronized with the drive (Floquet prethermalization). Remarkably, the nature of this state dramatically changes upon tuning the drive frequency. In particular, we show the existence of a critical frequency at which the system rapidly thermalizes despite the large interaction. We characterize this resonant thermalization and provide an analytical understanding in terms of a breakdown of the periodic Schrieffer-Wolff transformation.

Ultrafast Doublon Dynamics in Photoexcited 1 T -TaS2

NASA Astrophysics Data System (ADS)

Ligges, M.; Avigo, I.; Golež, D.; Strand, H. U. R.; Beyazit, Y.; Hanff, K.; Diekmann, F.; Stojchevska, L.; Kalläne, M.; Zhou, P.; Rossnagel, K.; Eckstein, M.; Werner, P.; Bovensiepen, U.

2018-04-01

Strongly correlated materials exhibit intriguing properties caused by intertwined microscopic interactions that are hard to disentangle in equilibrium. Employing nonequilibrium time-resolved photoemission spectroscopy on the quasi-two-dimensional transition-metal dichalcogenide 1 T -Ta S2 , we identify a spectroscopic signature of doubly occupied sites (doublons) that reflects fundamental Mott physics. Doublon-hole recombination is estimated to occur on timescales of electronic hopping ℏ/J ≈14 fs . Despite strong electron-phonon coupling, the dynamics can be explained by purely electronic effects captured by the single-band Hubbard model under the assumption of weak hole doping, in agreement with our static sample characterization. This sensitive interplay of static doping and vicinity to the metal-insulator transition suggests a way to modify doublon relaxation on the few-femtosecond timescale.

Controlling phase separation in vanadium dioxide thin films via substrate engineering

NASA Astrophysics Data System (ADS)

Gilbert Corder, Stephanie N.; Jiang, Jianjuan; Chen, Xinzhong; Kittiwatanakul, Salinporn; Tung, I.-Cheng; Zhu, Yi; Zhang, Jiawei; Bechtel, Hans A.; Martin, Michael C.; Carr, G. Lawrence; Lu, Jiwei; Wolf, Stuart A.; Wen, Haidan; Tao, Tiger H.; Liu, Mengkun

2017-10-01

The strong electron-lattice interactions in correlated electron systems provide unique opportunities for altering the material properties with relative ease and flexibility. In this Rapid Communication, we use localized strain control via a focused-ion-beam patterning of Ti O2 substrates to demonstrate that one can selectively engineer the insulator-to-metal transition temperature, the fractional component of the insulating and metallic phases, and the degree of optical anisotropy down to the length scales of the intrinsic phase separation in V O2 thin films without altering the quality of the films. The effects of localized strain control on the strongly correlated electron system are directly visualized by state-of-the-art IR near-field imaging and spectroscopy techniques and x-ray microdiffraction measurements.

Controlling phase separation in vanadium dioxide thin films via substrate engineering

DOE PAGES

Gilbert Corder, Stephanie N.; Jiang, Jianjuan; Chen, Xinzhong; ...

2017-10-23

The strong electron-lattice interactions in correlated electron systems provide unique opportunities for altering the material properties with relative ease and flexibility. Here in this Rapid Communication, we use localized strain control via a focused-ion-beam patterning of TiO 2 substrates to demonstrate that one can selectively engineer the insulator-to-metal transition temperature, the fractional component of the insulating and metallic phases, and the degree of optical anisotropy down to the length scales of the intrinsic phase separation in VO 2 thin films without altering the quality of the films. The effects of localized strain control on the strongly correlated electron system aremore » directly visualized by state-of-the-art IR near-field imaging and spectroscopy techniques and x-ray microdiffraction measurements.« less

The origin of incipient ferroelectricity in lead telluride

DOE PAGES

Jiang, M. P.; Trigo, M.; Savić, I.; ...

2016-07-22

The interactions between electrons and lattice vibrations are fundamental to materials behaviour. In the case of group IV–VI, V and related materials, these interactions are strong, and the materials exist near electronic and structural phase transitions. The prototypical example is PbTe whose incipient ferroelectric behaviour has been recently associated with large phonon anharmonicity and thermoelectricity. Here we show that it is primarily electron-phonon coupling involving electron states near the band edges that leads to the ferroelectric instability in PbTe. Using a combination of nonequilibrium lattice dynamics measurements and first principles calculations, we find that photoexcitation reduces the Peierls-like electronic instabilitymore » and reinforces the paraelectric state. This weakens the long-range forces along the cubic direction tied to resonant bonding and low lattice thermal conductivity. Lastly, our results demonstrate how free-electron-laser-based ultrafast X-ray scattering can be utilized to shed light on the microscopic mechanisms that determine materials properties.« less

Discrete Chromatic Aberrations Arising from Photoinduced Electron-Photon Interactions in Ultrafast Electron Microscopy.

PubMed

Plemmons, Dayne A; Flannigan, David J

2016-05-26

In femtosecond ultrafast electron microscopy (UEM) experiments, the initial excitation period is composed of spatiotemporal overlap of the temporally commensurate pump photon pulse and probe photoelectron packet. Generation of evanescent near-fields at the nanostructure specimens produces a dispersion relation that enables coupling of the photons (ℏω = 2.4 eV, for example) and freely propagating electrons (200 keV, for example) in the near-field. Typically, this manifests as discrete peaks occurring at integer multiples (n) of the photon energy in the low-loss/gain region of electron-energy spectra (i.e., at 200 keV ± nℏω eV). Here, we examine the UEM imaging resolution implications of the strong inelastic near-field interactions between the photons employed in optical excitation and the probe photoelectrons. We find that the additional photoinduced energy dispersion occurring when swift electrons pass through intense evanescent near-fields results in a discrete chromatic aberration that limits the spatial resolving power to several angstroms during the excitation period.

Single-cycle high-intensity electromagnetic pulse generation in the interaction of a plasma wakefield with regular nonlinear structures.

PubMed

Bulanov, S S; Esirkepov, T Zh; Kamenets, F F; Pegoraro, F

2006-03-01

The interaction of regular nonlinear structures (such as subcycle solitons, electron vortices, and wake Langmuir waves) with a strong wake wave in a collisionless plasma can be exploited in order to produce ultrashort electromagnetic pulses. The electromagnetic field of the nonlinear structure is partially reflected by the electron density modulations of the incident wake wave and a single-cycle high-intensity electromagnetic pulse is formed. Due to the Doppler effect the length of this pulse is much shorter than that of the nonlinear structure. This process is illustrated with two-dimensional particle-in-cell simulations. The considered laser-plasma interaction regimes can be achieved in present day experiments and can be used for plasma diagnostics.

Identification of interfaces involved in weak interactions with application to F-actin-aldolase rafts.

PubMed

Hu, Guiqing; Taylor, Dianne W; Liu, Jun; Taylor, Kenneth A

2018-03-01

Macromolecular interactions occur with widely varying affinities. Strong interactions form well defined interfaces but weak interactions are more dynamic and variable. Weak interactions can collectively lead to large structures such as microvilli via cooperativity and are often the precursors of much stronger interactions, e.g. the initial actin-myosin interaction during muscle contraction. Electron tomography combined with subvolume alignment and classification is an ideal method for the study of weak interactions because a 3-D image is obtained for the individual interactions, which subsequently are characterized collectively. Here we describe a method to characterize heterogeneous F-actin-aldolase interactions in 2-D rafts using electron tomography. By forming separate averages of the two constituents and fitting an atomic structure to each average, together with the alignment information which relates the raw motif to the average, an atomic model of each crosslink is determined and a frequency map of contact residues is computed. The approach should be applicable to any large structure composed of constituents that interact weakly and heterogeneously. Copyright © 2017 Elsevier Inc. All rights reserved.

Stabilization of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} through Si–Ti substitution

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

Xie, Weiwei, E-mail: weiweix@princeton.edu; Fuccillo, M.K.; Phelan, B.F.

2015-07-15

We report a route for designing and synthesizing Ti{sub 3}Co{sub 5}B{sub 2}-type compounds in the Ti–Ru–B system by using chemical substitution of Si for Ti to decrease the d-electron-based antibonding interactions that it is argued would otherwise drive an instability in this structure for unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2}. Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} with x=0.75, 1.00 and 1.25 nominal compositions crystalizes in the Ti{sub 3}Co{sub 5}B{sub 2} structure type using arc melting methods, whereas at lower doping levels (x=0.0, 0.25 and 0.50) the more complex Zn{sub 11}Rh{sub 18}B{sub 8}-type structure is stable. Electronic structure calculations show that in hypothetical,more » unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2} with the Ti{sub 3}Co{sub 5}B{sub 2}-type structure, the antibonding interactions are strong around the Fermi level between the Ti and Ru in the structure that form tetragonal prisms. We propose that weakening these strong interactions through the partial substitution of isovalent Si for Ti leads to the observed stability of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} for x≈1. - Graphical abstract: We present the designing and synthesizing of Ti{sub 3}Co{sub 5}B{sub 2}-type compounds in the Ti–Ru–B system by using chemical substitution of Si for Ti to decrease the d-electron-based antibonding interactions that would otherwise drive an instability in this structure for unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2}. Electronic structure calculations show that in hypothetical, unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2} with the Ti{sub 3}Co{sub 5}B{sub 2}-type structure, the antibonding interactions are strong around the Fermi level between the Ti and Ru in the structure that form tetragonal prisms. We propose that weakening these strong interactions through the partial substitution of isovalent Si for Ti leads to the observed stability of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} for x≈1. - Highlights: • New quaternary phase Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} in Ti{sub 3}Co{sub 5}B{sub 2}-type structure is reported. • Chemical substitution of isovalent Si for Ti is used to stabilize the phase. • Decreasing the d-electron-based antibonding interactions is proved by calculation. • Physical properties of Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} are presented down to 0.4 K.« less

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

Rebolini, Elisa, E-mail: rebolini@lct.jussieu.fr; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr; Savin, Andreas, E-mail: savin@lct.jussieu.fr

We present a study of the variation of total energies and excitation energies along a range-separated adiabatic connection. This connection links the non-interacting Kohn–Sham electronic system to the physical interacting system by progressively switching on the electron–electron interactions whilst simultaneously adjusting a one-electron effective potential so as to keep the ground-state density constant. The interactions are introduced in a range-dependent manner, first introducing predominantly long-range, and then all-range, interactions as the physical system is approached, as opposed to the conventional adiabatic connection where the interactions are introduced by globally scaling the standard Coulomb interaction. Reference data are reported for themore » He and Be atoms and the H{sub 2} molecule, obtained by calculating the short-range effective potential at the full configuration-interaction level using Lieb's Legendre-transform approach. As the strength of the electron–electron interactions increases, the excitation energies, calculated for the partially interacting systems along the adiabatic connection, offer increasingly accurate approximations to the exact excitation energies. Importantly, the excitation energies calculated at an intermediate point of the adiabatic connection are much better approximations to the exact excitation energies than are the corresponding Kohn–Sham excitation energies. This is particularly evident in situations involving strong static correlation effects and states with multiple excitation character, such as the dissociating H{sub 2} molecule. These results highlight the utility of long-range interacting reference systems as a starting point for the calculation of excitation energies and are of interest for developing and analyzing practical approximate range-separated density-functional methodologies.« less

Solvent as electron donor: Donor/acceptor electronic coupling is a dynamical variable

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

Castner, E.W. Jr.; Kennedy, D.; Cave, R.J.

2000-04-06

The authors combine analysis of measurements by femtosecond optical spectroscopy, computer simulations, and the generalized Mulliken-Hush (GMH) theory in the study of electron-transfer reactions and electron donor-acceptor interactions. The study focus is on ultrafast photoinduced electron-transfer reactions from aromatic amine solvent donors to excited-state acceptors. The experimental results from femtosecond dynamical measurements fall into three categories: six coumarin acceptors reductively quenched by N,N-dimethylaniline (DMA), eight electron-donating amine solvents reductively quenching coumarin 152 (7-(dimethylamino)-4-(trifluoromethyl)-coumarin), and reductive quenching dynamics of two coumarins by DMA as a function of dilution in the nonreactive solvents toluene and chlorobenzene. Applying a combination of molecular dynamicsmore » trajectories, semiempirical quantum mechanical calculations (of the relevant adiabatic electronic states), and GMH theory to the C152/DMA photoreaction, the authors calculate the electron donor/acceptor interaction parameter H{sub DA} at various time frames, H{sub DA} is strongly modulated by both inner-sphere and outer-sphere nuclear dynamics, leading us to conclude that H{sub DA} must be considered as a dynamical variable.« less

Origin of poor doping efficiency in solution processed organic semiconductors.

PubMed

Jha, Ajay; Duan, Hong-Guang; Tiwari, Vandana; Thorwart, Michael; Miller, R J Dwayne

2018-05-21

Doping is an extremely important process where intentional insertion of impurities in semiconductors controls their electronic properties. In organic semiconductors, one of the convenient, but inefficient, ways of doping is the spin casting of a precursor mixture of components in solution, followed by solvent evaporation. Active control over this process holds the key to significant improvements over current poor doping efficiencies. Yet, an optimized control can only come from a detailed understanding of electronic interactions responsible for the low doping efficiencies. Here, we use two-dimensional nonlinear optical spectroscopy to examine these interactions in the course of the doping process by probing the solution mixture of doped organic semiconductors. A dopant accepts an electron from the semiconductor and the two ions form a duplex of interacting charges known as ion-pair complexes. Well-resolved off-diagonal peaks in the two-dimensional spectra clearly demonstrate the electronic connectivity among the ions in solution. This electronic interaction represents a well resolved electrostatically bound state, as opposed to a random distribution of ions. We developed a theoretical model to recover the experimental data, which reveals an unexpectedly strong electronic coupling of ∼250 cm -1 with an intermolecular distance of ∼4.5 Å between ions in solution, which is approximately the expected distance in processed films. The fact that this relationship persists from solution to the processed film gives direct evidence that Coulomb interactions are retained from the precursor solution to the processed films. This memory effect renders the charge carriers equally bound also in the film and, hence, results in poor doping efficiencies. This new insight will help pave the way towards rational tailoring of the electronic interactions to improve doping efficiencies in processed organic semiconductor thin films.

Generation of high-power, tunable terahertz radiation from laser interaction with a relativistic electron beam

DOE PAGES

Zhang, Zhen; Yan, Lixin; Du, Yingchao; ...

2017-05-01

We propose a method based on the slice energy spread modulation to generate strong subpicosecond density bunching in high-intensity relativistic electron beams. A laser pulse with periodic intensity envelope is used to modulate the slice energy spread of the electron beam, which can then be converted into density modulation after a dispersive section. It is found that the double-horn slice energy distribution of the electron beam induced by the laser modulation is very effective to increase the density bunching. Since the modulation is performed on a relativistic electron beam, the process does not suffer from strong space charge force ormore » coupling between phase spaces, so that it is straightforward to preserve the beam quality for terahertz (THz) radiation and other applications. We show in both theory and simulations that the tunable radiation from the beam can cover the frequency range of 1 - 10 THz with high power and narrow-band spectra.« less

Phase separation of electrons strongly coupled with phonons in cuprates and manganites

NASA Astrophysics Data System (ADS)

Alexandrov, Sasha

2009-03-01

Recent advanced Monte Carlo simulations have not found superconductivity and phase separation in the Hubbard model with on-site repulsive electron-electron correlations. I argue that microscopic phase separations in cuprate superconductors and colossal magnetoresistance (CMR) manganites originate from a strong electron-phonon interaction (EPI) combined with unavoidable disorder. Attractive electron correlations, caused by an almost unretarded EPI, are sufficient to overcome the direct inter-site Coulomb repulsion in these charge-transfer Mott-Hubbard insulators, so that low energy physics is that of small polarons and small bipolarons. They form clusters localized by disorder below the mobility edge, but propagate as the Bloch states above the mobility edge. I identify the Froehlich EPI as the most essential for pairing and phase separation in superconducting layered cuprates. The pairing of oxygen holes into heavy bipolarons in the paramagnetic phase (current-carrier density collapse (CCDC)) explains also CMR and high and low-resistance phase coexistence near the ferromagnetic transition of doped manganites.

Particle dynamics and pair production in tightly focused standing wave

NASA Astrophysics Data System (ADS)

Jirka, M.; Klimo, O.; Vranić, M.; Weber, S.; Korn, G.

2017-05-01

With the advent of 10 PW laser facilities, new regimes of laser-matter interaction are opening since effects of quantum electrodynamics, such as electron-positron pair production and cascade development, start to be important. The dynamics of light charged particles, such as electrons and positrons, is affected by the radiation reaction force. This effect can strongly influence the interaction of intense laser pulses with matter since it lowers the energy of emitting particles and transforms their energy to the gamma radiation. Consequently, electron-positron pairs can be generated via Breit-Wheeler process. To study this new regime of interaction, numerical simulations are required. With their help it is possible to predict and study quantum effects which may occur in future experiments at modern laser facilities. In this work we present results of electron interaction with an intense standing wave formed by two colliding laser pulses. Due to the necessity to achieve ultra intense laser field, the laser beam has to be focused to a μm-diameter spot. Since the paraxial approximation is not valid for tight focusing, the appropriate model describing the tightly focused laser beam has to be employed. In tightly focused laser beam the longitudinal component of the electromagnetic field becomes significant and together with the ponderomotive force they affect the dynamics of interacting electrons and also newly generated Breit-Wheeler electron-positron pairs. Using the Particle-In-Cell code we study electron dynamics, gamma radiation and pair production in such a configuration for linear polarization and different types of targets.

Polaronic behavior in a weak-coupling superconductor.

PubMed

Swartz, Adrian G; Inoue, Hisashi; Merz, Tyler A; Hikita, Yasuyuki; Raghu, Srinivas; Devereaux, Thomas P; Johnston, Steven; Hwang, Harold Y

2018-02-13

The nature of superconductivity in the dilute semiconductor SrTiO 3 has remained an open question for more than 50 y. The extremely low carrier densities ([Formula: see text]-[Formula: see text] cm -3 ) at which superconductivity occurs suggest an unconventional origin of superconductivity outside of the adiabatic limit on which the Bardeen-Cooper-Schrieffer (BCS) and Migdal-Eliashberg (ME) theories are based. We take advantage of a newly developed method for engineering band alignments at oxide interfaces and access the electronic structure of Nb-doped SrTiO 3 , using high-resolution tunneling spectroscopy. We observe strong coupling to the highest-energy longitudinal optic (LO) phonon branch and estimate the doping evolution of the dimensionless electron-phonon interaction strength ([Formula: see text]). Upon cooling below the superconducting transition temperature ([Formula: see text]), we observe a single superconducting gap corresponding to the weak-coupling limit of BCS theory, indicating an order of magnitude smaller coupling ([Formula: see text]). These results suggest that despite the strong normal state interaction with electrons, the highest LO phonon does not provide a dominant contribution to pairing. They further demonstrate that SrTiO 3 is an ideal system to probe superconductivity over a wide range of carrier density, adiabatic parameter, and electron-phonon coupling strength.

Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering

DOE PAGES

Kim, J. -W.; Choi, Y.; Chun, S. H.; ...

2018-03-26

Here, the combination of strong electron correlations in 3d transition metal oxides and spin-orbit interactions in the 5d counterpart can give rise to exotic electronic and magnetic properties. Here, the nature of emerging phenomena at the interface between SrIrO 3 (SIO) and La 2/3Sr 1/3MnO 3 (LSMO) is presented. Nominally, SIO with strong spin-orbit interaction is metallic and nonmagnetic on the verge of a metal-insulator transition, whereas LSMO is metallic and ferromagnetic with itinerant character and high spin polarization. In the 1:1 LSMO/SIO superlattice, we observe ferromagnetic Mn moments with an insulating behavior, accompanied by antiferromagnetic ordering in SIO. Element-resolvedmore » x-ray magnetic circular dichroism proves that there is a weak net ferromagnetic Ir moment aligned antiparallel to the Mn counterpart. The branching ratio shows the formation of molecular-orbitals between the Mn and Ir layers modifying the Ir 5d electronic configuration through the mixture of t 2g and e g states, resulting in a deviation from J eff = ½. This result demonstrates a pathway to manipulate the spin-orbit entanglement in 5d states with 2-dimensional 3d spin-polarized electrons through heterostructure design.« less

Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering

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

Kim, J. -W.; Choi, Y.; Chun, S. H.

Here, the combination of strong electron correlations in 3d transition metal oxides and spin-orbit interactions in the 5d counterpart can give rise to exotic electronic and magnetic properties. Here, the nature of emerging phenomena at the interface between SrIrO 3 (SIO) and La 2/3Sr 1/3MnO 3 (LSMO) is presented. Nominally, SIO with strong spin-orbit interaction is metallic and nonmagnetic on the verge of a metal-insulator transition, whereas LSMO is metallic and ferromagnetic with itinerant character and high spin polarization. In the 1:1 LSMO/SIO superlattice, we observe ferromagnetic Mn moments with an insulating behavior, accompanied by antiferromagnetic ordering in SIO. Element-resolvedmore » x-ray magnetic circular dichroism proves that there is a weak net ferromagnetic Ir moment aligned antiparallel to the Mn counterpart. The branching ratio shows the formation of molecular-orbitals between the Mn and Ir layers modifying the Ir 5d electronic configuration through the mixture of t 2g and e g states, resulting in a deviation from J eff = ½. This result demonstrates a pathway to manipulate the spin-orbit entanglement in 5d states with 2-dimensional 3d spin-polarized electrons through heterostructure design.« less

Probing 1D superlattices at the LaAlO3 / SrTiO3 interface

NASA Astrophysics Data System (ADS)

Briggeman, M.; Huang, M.; Tylan-Tyler, A.; Irvin, P.; Levy, J.; Lee, J.-W.; Lee, H.; Eom, C.-B.

Complex oxides and other quantum systems exhibit behavior that is currently too complex to be understood using analytic or computational methods. One approach is to use a configurable quantum system whose Hamiltonian can be mapped onto the system of interest. This approach, known as quantum simulation, requires a rich physical system whose quanta and interactions can be controlled precisely, at the level of single electrons and other degrees of freedom. Here we describe steps toward developing a quantum simulation platform, using the complex oxide heterostructure LaAlO3 / SrTiO3 , by creating quantum systems with features comparable to the mean spacing between electrons. This interface has strong, sign changing, gate-tunable electron-electron interactions that can strongly influence the quantum ground state. We explore the magnetotransport properties of 1D superlattices, where periodic modulation produces reproducible dispersive features not seen in control structures. The results of these experiments can be compared with effective 1D model Hamiltonians to bridge experiment and theory and enable quantum simulation of more complex systems. We gratefully acknowledge financial support from AFOSR (FA9550-12-1- 0057 (JL) and FA9550-12-1-0342 (CBE)), ONR N00014-15-1-2847 (JL), and NSF DMR-1234096 (CBE).

New edge magnetoplasmon interference like photovoltage oscillations and their amplitude enhancement in the presence of an antidot lattice

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

Bisotto, I., E-mail: isabelle.bisotto@lncmi.cnrs.fr; Portal, J.-C.; Institut National des Sciences Appliquées, 31077 Toulouse Cedex 4

2015-11-15

We present new photovoltage oscillation in a pure two dimensional electron gas (2DEG) and in the presence of circular or semicircular antidot lattices. Results were interpreted as EMPs-like photovoltage oscillations. We observed and explained the photovoltage oscillation amplitude enhancement in the presence of an antidot lattice with regard to the pure 2DEG. The microwave frequency excitation range is 139 – 350 GHz. The cyclotron and magnetoplasmon resonances take place in the magnetic field range 0.4 – 0.8 T. This original experimental condition allows edge magnetoplasmons EMPs interference like observation at low magnetic field, typically B < B{sub c} where B{submore » c} is the magnetic field at which the cyclotron resonance takes place. The different oscillation periods observed and their microwave frequency dependence were discussed. For 139 and 158 GHz microwave excitation frequencies, a unique EMPs-like interference period was found in the presence of antidots whereas two periods were extracted for 295 or 350 GHz. An explanation of this effect is given taking account of strong electron interaction with antidot at low magnetic field. Indeed, electrons involved in EMPs like phenomenon interact strongly with antidots when electron cyclotron orbits are larger than or comparable to the antidot diameter.« less

Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering

NASA Astrophysics Data System (ADS)

Kim, J.-W.; Choi, Y.; Chun, S. H.; Haskel, D.; Yi, D.; Ramesh, R.; Liu, J.; Ryan, P. J.

2018-03-01

The combination of strong electron correlations in 3 d transition-metal oxides and spin-orbit interactions in the 5 d counterpart can give rise to exotic electronic and magnetic properties. Here, the nature of emerging phenomena at the interface between SrIr O3 (SIO) and L a2 /3S r1 /3Mn O3 (LSMO) is presented. Nominally, SIO with strong spin-orbit interaction is metallic and nonmagnetic on the verge of a metal-insulator transition, whereas LSMO is metallic and ferromagnetic with itinerant character and high spin polarization. In the 1:1 LSMO/SIO superlattice, we observe ferromagnetic Mn moments with an insulating behavior, accompanied by antiferromagnetic ordering in SIO. Element-resolved x-ray magnetic circular dichroism proves that there is a weak net ferromagnetic Ir moment aligned antiparallel to the Mn counterpart. The branching ratio shows the formation of molecular orbitals between the Mn and Ir layers modifying the Ir 5 d electronic configuration through the mixture of t2 g and eg states, resulting in a deviation from Jeff=1 /2 . This result demonstrates a pathway to manipulate the spin-orbit entanglement in 5 d states with two-dimensional 3 d spin-polarized electrons through heterostructure design.

Parametric study of transport beam lines for electron beams accelerated by laser-plasma interaction

NASA Astrophysics Data System (ADS)

Scisciò, M.; Lancia, L.; Migliorati, M.; Mostacci, A.; Palumbo, L.; Papaphilippou, Y.; Antici, P.

2016-03-01

In the last decade, laser-plasma acceleration of high-energy electrons has attracted strong attention in different fields. Electrons with maximum energies in the GeV range can be laser-accelerated within a few cm using multi-hundreds terawatt (TW) lasers, yielding to very high beam currents at the source (electron bunches with up to tens-hundreds of pC in a few fs). While initially the challenge was to increase the maximum achievable electron energy, today strong effort is put in the control and usability of these laser-generated beams that still lack of some features in order to be used for applications where currently conventional, radio-frequency (RF) based, electron beam lines represent the most common and efficient solution. Several improvements have been suggested for this purpose, some of them acting directly on the plasma source, some using beam shaping tools located downstream. Concerning the latter, several studies have suggested the use of conventional accelerator magnetic devices (such as quadrupoles and solenoids) as an easy implementable solution when the laser-plasma accelerated beam requires optimization. In this paper, we report on a parametric study related to the transport of electron beams accelerated by laser-plasma interaction, using conventional accelerator elements and tools. We focus on both, high energy electron beams in the GeV range, as produced on petawatt (PW) class laser systems, and on lower energy electron beams in the hundreds of MeV range, as nowadays routinely obtained on commercially available multi-hundred TW laser systems. For both scenarios, our study allows understanding what are the crucial parameters that enable laser-plasma accelerators to compete with conventional ones and allow for a beam transport. We show that suitable working points require a tradeoff-combination between low beam divergence and narrow energy spread.

Strong spin-orbit coupling and Zeeman spin splitting in angle dependent magnetoresistance of Bi{sub 2}Te{sub 3}

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

Dey, Rik, E-mail: rikdey@utexas.edu; Pramanik, Tanmoy; Roy, Anupam

We have studied angle dependent magnetoresistance of Bi{sub 2}Te{sub 3} thin film with field up to 9 T over 2–20 K temperatures. The perpendicular field magnetoresistance has been explained by the Hikami-Larkin-Nagaoka theory alone in a system with strong spin-orbit coupling, from which we have estimated the mean free path, the phase coherence length, and the spin-orbit relaxation time. We have obtained the out-of-plane spin-orbit relaxation time to be small and the in-plane spin-orbit relaxation time to be comparable to the momentum relaxation time. The estimation of these charge and spin transport parameters are useful for spintronics applications. For parallel field magnetoresistance,more » we have confirmed the presence of Zeeman effect which is otherwise suppressed in perpendicular field magnetoresistance due to strong spin-orbit coupling. The parallel field data have been explained using both the contributions from the Maekawa-Fukuyama localization theory for non-interacting electrons and Lee-Ramakrishnan theory of electron-electron interactions. The estimated Zeeman g-factor and the strength of Coulomb screening parameter agree well with the theory. Finally, the anisotropy in magnetoresistance with respect to angle has been described by the Hikami-Larkin-Nagaoka theory. This anisotropy can be used in anisotropic magnetic sensor applications.« less

H/D isotopic recognition and temperature effects in IR spectra of hydrogen-bonded cyclic dimers in crystals: 3-Methylcinnamic acid and 4-phenylbutyric acid

NASA Astrophysics Data System (ADS)

Hachuła, Barbara; Jabłońska-Czapla, Magdalena; Flakus, Henryk T.; Nowak, Maria; Kusz, Joachim

2015-01-01

In the present work, the experimental and theoretical study of the nature of the inter-hydrogen bond interactions in two different carboxylic acids, 3-methylcinnamic acid (3MCA) and 4-phenylbutyric acid (4PBA), were reported. The polarized IR spectra of 3MCA and 4PBA crystals were recorded at the frequency ranges of the νOsbnd H and νOsbnd D bands. The spectral properties of 3MCA and 4PBA interpreted with the aid of the calculations based on the "strong-coupling" model. The differences in the spectral properties of the two different dimeric systems in the crystals provide a valuable information about the existence of a direct relationship between the crystal spectral properties in IR and the electronic structure of the molecular systems. In 3MCA crystals strong vibrational exciton interactions favor a "tail-to-head" (TH)-type Davydov coupling widespread via the π-electrons, whereas in 4PBA crystals a weak "through-space" (SS) exciton coupling is responsible for a "side-to-side"-type coupling. The relative contribution of each individual exciton coupling mechanism in IR spectra generation strongly depends on temperature and molecular electronic structure. The H/D isotopic recognition effect, depending on a non-random distribution of protons and deuterons in the crystal hydrogen bridges, was also analyzed.

H/D isotopic recognition and temperature effects in IR spectra of hydrogen-bonded cyclic dimers in crystals: 3-methylcinnamic acid and 4-phenylbutyric acid.

PubMed

Hachuła, Barbara; Jabłońska-Czapla, Magdalena; Flakus, Henryk T; Nowak, Maria; Kusz, Joachim

2015-01-05

In the present work, the experimental and theoretical study of the nature of the inter-hydrogen bond interactions in two different carboxylic acids, 3-methylcinnamic acid (3MCA) and 4-phenylbutyric acid (4PBA), were reported. The polarized IR spectra of 3MCA and 4PBA crystals were recorded at the frequency ranges of the νO-H and νO-D bands. The spectral properties of 3MCA and 4PBA interpreted with the aid of the calculations based on the "strong-coupling" model. The differences in the spectral properties of the two different dimeric systems in the crystals provide a valuable information about the existence of a direct relationship between the crystal spectral properties in IR and the electronic structure of the molecular systems. In 3MCA crystals strong vibrational exciton interactions favor a "tail-to-head" (TH)-type Davydov coupling widespread via the π-electrons, whereas in 4PBA crystals a weak "through-space" (SS) exciton coupling is responsible for a "side-to-side"-type coupling. The relative contribution of each individual exciton coupling mechanism in IR spectra generation strongly depends on temperature and molecular electronic structure. The H/D isotopic recognition effect, depending on a non-random distribution of protons and deuterons in the crystal hydrogen bridges, was also analyzed. Copyright © 2014 Elsevier B.V. All rights reserved.

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

DOE PAGES

Bagdasarov, G. A.; Bobrova, N. A.; Boldarev, A. S.; ...

2017-12-27

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique is proposed. Our method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. We could use large aspect ratio rectangular capillaries to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

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

Bagdasarov, G. A.; Bobrova, N. A.; Boldarev, A. S.

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique is proposed. Our method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. We could use large aspect ratio rectangular capillaries to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

NASA Astrophysics Data System (ADS)

Bagdasarov, G. A.; Bobrova, N. A.; Boldarev, A. S.; Olkhovskaya, O. G.; Sasorov, P. V.; Gasilov, V. A.; Barber, S. K.; Bulanov, S. S.; Gonsalves, A. J.; Schroeder, C. B.; van Tilborg, J.; Esarey, E.; Leemans, W. P.; Levato, T.; Margarone, D.; Korn, G.; Kando, M.; Bulanov, S. V.

2017-12-01

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique, is proposed. This method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus on the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. Large aspect ratio rectangular capillaries might be used to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

Fission of Multielectron Bubbles in Liquid Helium Under Electric Fields

NASA Astrophysics Data System (ADS)

Vadakkumbatt, V.; Ghosh, A.

2017-06-01

Multielectron bubbles (MEBs) are cavities in liquid helium which contain a layer of electrons trapped within few nanometres from their inner surfaces. These bubbles are promising candidates to probe a system of interacting electrons in curved geometries, but have been subjected to limited experimental investigation. Here, we report on the observation of fission of MEBs under strong electric fields, which arises due to fast rearrangement of electrons inside the bubbles, leading to their deformation and eventually instability. We measured the electrons to be distributed unequally between the daughter bubbles which could be used to control the charge density inside MEBs.

On specular reflectivity measurements in high and low-contrast relativistic laser-plasma interactions

NASA Astrophysics Data System (ADS)

Kemp, G. E.; Link, A.; Ping, Y.; McLean, H. S.; Patel, P. K.; Freeman, R. R.; Schumacher, D. W.; Tiedje, H. F.; Tsui, Y. Y.; Ramis, R.; Fedosejevs, R.

2015-01-01

Using both experiment and 2D3V particle-in-cell (PIC) simulations, we describe the use of specular reflectivity measurements to study relativistic (Iλ2 > 1018 W/cm2ṡμm2) laser-plasma interactions for both high and low-contrast 527 nm laser pulses on initially solid density aluminum targets. In the context of hot-electron generation, studies typically rely on diagnostics which, more-often-than-not, represent indirect processes driven by fast electrons transiting through solid density materials. Specular reflectivity measurements, however, can provide a direct measure of the interaction that is highly sensitive to how the EM fields and plasma profiles, critical input parameters for modeling of hot-electron generation, evolve near the interaction region. While the fields of interest occur near the relativistic critical electron density, experimental reflectivity measurements are obtained centimeters away from the interaction region, well after diffraction has fully manifested itself. Using a combination of PIC simulations with experimentally inspired conditions and an analytic, non-paraxial, pulse propagation algorithm, we calculate reflected pulse properties, both near and far from the interaction region, and compare with specular reflectivity measurements. The experiment results and PIC simulations demonstrate that specular reflectivity measurements are an extremely sensitive qualitative, and partially quantitative, indicator of initial laser/target conditions, ionization effects, and other details of intense laser-matter interactions. The techniques described can provide strong constraints on many systems of importance in ultra-intense laser interactions with matter.

Slater-Pauling behavior within quaternary intermetallic borides of the Ti{sub 3}Co{sub 5}B{sub 2} structure-type

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

Burghaus, Jens; Dronskowski, Richard, E-mail: drons@HAL9000.ac.rwth-aachen.d; Miller, Gordon J.

2009-10-15

First-principles, density-functional studies of several intermetallic borides of the general type M{sub 2}M'Ru{sub 5-n}Rh{sub n}B{sub 2} (n=0-5; M=Sc, Ti, Nb; M'=Fe, Co) show that the variation in saturation magnetic moment with valence-electron count follows a Slater-Pauling curve, with a maximum moment occurring typically at 66 valence electrons. The magnetic moments in these compounds occur primarily from the 3d electrons of the magnetically active M' sites, with some contribution from the Ru/Rh sites via magnetic polarization. Electronic DOS curves reveal that a rigid-band approach is a reasonable approximation for the estimation of saturation moments and the analysis of orbital interactions inmore » this family of complex borides. COHP analyses of the M'-M' orbital interactions indicate optimized interactions in the minority spin states for Co-containing phases, but strong bonding interactions remaining in Fe-containing phases. - Graphical abstract: Theoretically determined (spin-polarized LMTO-GGA) local magnetic moments as a function of the chemical valence Z for various intermetallic borides.« less

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.

Effect of an MLT dependent electron loss rate on the inner magnetosphere electrodynamics and plasma sheet penetration to the ring current region

NASA Astrophysics Data System (ADS)

Gkioulidou, M.; Wang, C.; Wing, S.; Lyons, L. R.; Wolf, R. A.; Hsu, T.

2012-12-01

Transport of plasma sheet particles into the ring current region is strongly affected by the penetrating convection electric field, which is the result of the large-scale magnetosphere-ionosphere (M-I) electromagnetic coupling. One of the main factors controlling this coupling is the ionospheric conductance. As plasma sheet electrons drift earthward, they get scattered into the loss cone due to wave-particle interactions and precipitate to the ionosphere, producing auroral conductance. Realistic electron loss is thus important for modeling the (M-I) coupling and penetration of plasma sheet into the inner magnetosphere. To evaluate the significance of electron loss rate, we used the Rice Convection Model (RCM) coupled with a force-balanced magnetic field to simulate plasma sheet transport under different electron loss rates and under self-consistent electric and magnetic field. The plasma sheet ion and electron sources for the simulations are based on the Geotail observations. Two major rates are used: different portions of i) strong pitch-angle diffusion everywhere electron loss rate (strong rate) and ii) a more realistic loss rate with its MLT dependence determined by wave activity (MLT rate). We found that the dawn-dusk asymmetry in the precipitating electron energy flux under the MLT rate, with much higher energy flux at dawn than at dusk, agrees better with statistical DMSP observations. Electrons trapped inside L ~ 8 RE can remain there for many hours under the MLT rate, while those under the strong rate get lost within minutes. Compared with the strong rate, the remaining electrons under the MLT rate cause higher conductance at lower latitudes, allowing for less efficient electric field shielding to convection enhancement, thus further earthward penetration of the plasma sheet into the inner magnetosphere. Therefore, our simulation results indicate that the electron loss rate can significantly affect the electrodynamics of the ring current region. Development of a more realistic electron loss rate model for the inner magnetosphere is thus much needed and will become feasible with new observations from the upcoming RBSP mission.

Electrical Control of Structural and Physical Properties via Strong Spin-Orbit Interactions in Sr2IrO4

NASA Astrophysics Data System (ADS)

Cao, G.; Terzic, J.; Zhao, H. D.; Zheng, H.; De Long, L. E.; Riseborough, Peter S.

2018-01-01

Electrical control of structural and physical properties is a long-sought, but elusive goal of contemporary science and technology. We demonstrate that a combination of strong spin-orbit interactions (SOI) and a canted antiferromagnetic Mott state is sufficient to attain that goal. The antiferromagnetic insulator Sr2IrO4 provides a model system in which strong SOI lock canted Ir magnetic moments to IrO6 octahedra, causing them to rigidly rotate together. A novel coupling between an applied electrical current and the canting angle reduces the Néel temperature and drives a large, nonlinear lattice expansion that closely tracks the magnetization, increases the electron mobility, and precipitates a unique resistive switching effect. Our observations open new avenues for understanding fundamental physics driven by strong SOI in condensed matter, and provide a new paradigm for functional materials and devices.

Electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7: An ab initio study

NASA Astrophysics Data System (ADS)

Chakraborty, Jayita

2018-05-01

The detailed first principle density functional theory calculations are carried out to investigate the electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7. The magnetic properties of this system are analyzed by calculating various hopping integrals as well as exchange interactions and deriving the relevant spin Hamiltonian. The dominant exchange path is visualized with Wannier functions plotting. Only intra planer nearest neighbor exchange interaction is strong in this system. The magnetocrystalline anisotropy is calculated for this system, and the results of the calculation reveal that the spin quantization axis lies in the ab plane.

Luminescent Li-based metal-organic framework tailored for the selective detection of explosive nitroaromatic compounds: direct observation of interaction sites.

PubMed

Kim, Tae Kyung; Lee, Jae Hwa; Moon, Dohyun; Moon, Hoi Ri

2013-01-18

A luminescent lithium metal-organic framework (MOF) is constructed from the solvothermal reaction of Li(+) and a well-designed organic ligand, bis(4-carboxyphenyl)-N-methylamine (H(2)CPMA). A Li-based MOF can detect an explosive aromatic compound containing nitro groups as an explosophore, by showing a dramatic color change with concurrent luminescence quenching in the solid state. The detection sites are proven directly through single-crystal-to-single-crystal transformations, which show strong interactions between the aromatic rings of the electron-rich CPMA(2-) molecules and the electron-deficient nitrobenzene.

X-ray electron density investigation of chemical bonding in van der Waals materials

NASA Astrophysics Data System (ADS)

Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette Ø.; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

2018-03-01

Van der Waals (vdW) solids have attracted great attention ever since the discovery of graphene, with the essential feature being the weak chemical bonding across the vdW gap. The nature of these weak interactions is decisive for many extraordinary properties, but it is a strong challenge for current theory to accurately model long-range electron correlations. Here we use synchrotron X-ray diffraction data to precisely determine the electron density in the archetypal vdW solid, TiS2, and compare the results with density functional theory calculations. Quantitative agreement is observed for the chemical bonding description in the covalent TiS2 slabs, but significant differences are identified for the interactions across the gap, with experiment revealing more electron deformation than theory. The present data provide an experimental benchmark for testing theoretical models of weak chemical bonding.

The spatial evolution of energetic electrons and plasma waves during the steady state beam plasma discharge

NASA Technical Reports Server (NTRS)

Llobet, X.; Bernstein, W.; Kondradi, A.

1985-01-01

Experiments, involving the injection of energetic (keV) electron beams into the ionosphere-upper atmosphere system from rocket-borne electron guns, have provided evidence for the occurrence of strong beam-plasma interactions (BPI) both near to and remote from the injection point. However, the flight experiments have not provided clear and unambiguous evidence for the basic physical processes which produce the variety of confusing signatures. A laboratory experimental program was initiated to clarify some of a number of ambiguities regarding the obtained results. The present investigation is concerned with some experimental studies of the evolution of both the beam energy spectrum and the local wave amplitude-frequency spectrum at increasing axial distances from the electron gun for a variety of experimental conditions. The results of the studies show that the high frequency beam-plasma interaction represents the most important process.

Effect of hyperfine-induced spin mixing on the defect-enabled spin blockade and spin filtering in GaNAs

NASA Astrophysics Data System (ADS)

Puttisong, Y.; Wang, X. J.; Buyanova, I. A.; Chen, W. M.

2013-03-01

The effect of hyperfine interaction (HFI) on the recently discovered room-temperature defect-enabled spin-filtering effect in GaNAs alloys is investigated both experimentally and theoretically based on a spin Hamiltonian analysis. We provide direct experimental evidence that the HFI between the electron and nuclear spin of the central Ga atom of the spin-filtering defect, namely, the Gai interstitials, causes strong mixing of the electron spin states of the defect, thereby degrading the efficiency of the spin-filtering effect. We also show that the HFI-induced spin mixing can be suppressed by an application of a longitudinal magnetic field such that the electronic Zeeman interaction overcomes the HFI, leading to well-defined electron spin states beneficial to the spin-filtering effect. The results provide a guideline for further optimization of the defect-engineered spin-filtering effect.

Modeling of Inner Magnetosphere Coupling Processes

NASA Technical Reports Server (NTRS)

Khazanov, George V.

2011-01-01

The Ring Current (RC) is the biggest energy player in the inner magnetosphere. It is the source of free energy for Electromagnetic Ion Cyclotron (EMIC) wave excitation provided by a temperature anisotropy of RC ions, which develops naturally during inward E B convection from the plasmasheet. The cold plasmasphere, which is under the strong influence of the magnetospheric electric field, strongly mediates the RC-EMIC wave-particle-coupling process and ultimately becomes part of the particle and energy interplay. On the other hand, there is a strong influence of the RC on the inner magnetospheric electric and magnetic field configurations and these configurations, in turn, are important to RC dynamics. Therefore, one of the biggest needs for inner magnetospheric research is the continued progression toward a coupled, interconnected system with the inclusion of nonlinear feedback mechanisms between the plasma populations, the electric and magnetic fields, and plasma waves. As we clearly demonstrated in our studies, EMIC waves strongly interact with electrons and ions of energies ranging from approx.1 eV to approx.10 MeV, and that these waves strongly affect the dynamics of resonant RC ions, thermal electrons and ions, and the outer RB relativistic electrons. As we found, the rate of ion and electron scattering/heating in the Earth's magnetosphere is not only controlled by the wave intensity-spatial-temporal distribution but also strongly depends on the spectral distribution of the wave power. The latter is also a function of the plasmaspheric heavy ion content, and the plasma density and temperature distributions along the magnetic field lines. The above discussion places RC-EMIC wave coupling dynamics in context with inner magnetospheric coupling processes and, ultimately, relates RC studies with plasmaspheric and Superthermal Electrons formation processes as well as with outer RB physics.

Observations at Mercury encounter by the plasma science experiment on Mariner 10

NASA Technical Reports Server (NTRS)

Ogilvie, K. W.; Scudder, J. D.; Hartle, R. E.; Siscoe, G. L.; Bridge, H. S.; Lazarus, A. J.; Asbridge, J. R.; Bame, S. J.; Yeates, C. M.

1974-01-01

A fully developed bow shock and magnetosheath were observed near Mercury, providing unambiguous evidence for a strong interaction between Mercury and the solar wind. Inside the sheath there is a distinct region analogous to the magnetosphere or magnetotail of earth, populated by electrons with lower density and higher temperature than the electrons observed in the solar wind or magnetosheath. At the time of encounter, conditions were such that a perpendicular shock was observed on the inbound leg and a parallel shock was observed on the outbound leg of the trajectory, and energetic plasma electron events were detected upstream from the outbound shock crossing. The interaction is most likely not atmospheric, but the data clearly indicate that the obstacle to solar wind flow is magnetic, either intrinsic or induced.

Spontaneous breaking of time-reversal symmetry in strongly interacting two-dimensional electron layers in silicon and germanium.

PubMed

Shamim, S; Mahapatra, S; Scappucci, G; Klesse, W M; Simmons, M Y; Ghosh, A

2014-06-13

We report experimental evidence of a remarkable spontaneous time-reversal symmetry breaking in two-dimensional electron systems formed by atomically confined doping of phosphorus (P) atoms inside bulk crystalline silicon (Si) and germanium (Ge). Weak localization corrections to the conductivity and the universal conductance fluctuations were both found to decrease rapidly with decreasing doping in the Si:P and Ge:P delta layers, suggesting an effect driven by Coulomb interactions. In-plane magnetotransport measurements indicate the presence of intrinsic local spin fluctuations at low doping, providing a microscopic mechanism for spontaneous lifting of the time-reversal symmetry. Our experiments suggest the emergence of a new many-body quantum state when two-dimensional electrons are confined to narrow half-filled impurity bands.

Estimation of electron temperature and radiation emission of a low energy (2.2 kJ) plasma focus device

NASA Astrophysics Data System (ADS)

Khan, M. Z.; Yap, S. L.; Wong, C. S.

2014-01-01

Radiation emission in a 2.2 kJ Mather-type plasma focus device is investigated using a five channel BPX65 PIN diode spectrometer. At optimum condition, radiation emission from the system is found to be strongly influenced in hollow anode and filling gas pressure. Maximum X-ray yield in 4π sr has been obtained in case of hollow anode in argon gas medium due to interaction of electron beam. Results indicate that an appropriate design of anode can enhance radiation emission by more intense interaction of expected electron beam with hollow anode. The outcome is helpful to design a plasma focus with enhanced X-ray generation with improved shot-to-shot reproducibility in plasma focus device.

Electron-electron interaction in ion-atom collisions studied by projectile state-resolved Auger-electron spectroscopy

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

Dohyung Lee.

This dissertation addresses the problem of dynamic electron-electron interactions in fast ion-atom collisions using projectile Auger electron spectroscopy. The study was carried out by measuring high-resolution projectile KKL Auger electron spectra as a function of projectile energy for the various collision systems of 0.25-2 MeV/u O{sup q+} and F{sup q+} incident on H{sub 2} and He targets. The electrons were detected in the beam direction, where the kinematic broadening is minimized. A zero-degree tandem electron spectrometer system, was developed and showed the versatility of zero-degree measurements of collisionally-produced atomic states. The zero-degree binary encounter electrons (BEe), quasifree target electrons ionizedmore » by the projectiles in head-on collisions, were observed as a strong background in the KLL Auger electron spectrum. They were studied by treating the target ionization as 180{degree} Rutherford elastic scattering in the projectile frame, and resulted in a validity test of the impulse approximation (IA) and a way to determine the spectrometer efficiency. An anomalous q-dependence, in which the zero-degree BEe yields increase with decreasing projectile charge state (q), was observed. State-resolved KLL Auger cross sections were determined by using the BEe normalization and thus the cross section of the electron-electron interactions such as resonant transfer-excitation (RTE), electron-electron excitation (eeE), and electron-electron ionization (eeI) were determined. Projectile 2l capture with 1s {yields} 2p excitation by the captured target electron was observed as an RTE process with Li-like and He-like projectiles and the measured RTEA (RTE followed by Auger decay) cross sections showed good agreement with an RTE-IA treatment and RTE alignment theory.« less

Lorentz microscopy sheds light on the role of dipolar interactions in magnetic hyperthermia

NASA Astrophysics Data System (ADS)

Campanini, M.; Ciprian, R.; Bedogni, E.; Mega, A.; Chiesi, V.; Casoli, F.; de Julián Fernández, C.; Rotunno, E.; Rossi, F.; Secchi, A.; Bigi, F.; Salviati, G.; Magén, C.; Grillo, V.; Albertini, F.

2015-04-01

Monodispersed Fe3O4 nanoparticles with comparable size distributions have been synthesized by two different synthesis routes, co-precipitation and thermal decomposition. Thanks to the different steric stabilizations, the described samples can be considered as a model system to investigate the effects of magnetic dipolar interactions on the aggregation states of the nanoparticles. Moreover, the presence of magnetic dipolar interactions can strongly affect the nanoparticle efficiency as a hyperthermic mediator. In this paper, we present a novel way to visualize and map the magnetic dipolar interactions in different kinds of nanoparticle aggregates by the use of Lorentz microscopy, an easy and reliable in-line electron holographic technique. By exploiting Lorentz microscopy, which is complementary to the magnetic measurements, it is possible to correlate the interaction degrees of magnetic nanoparticles with their magnetic behaviors. In particular, we demonstrate that Lorentz microscopy is successful in visualizing the magnetic configurations stabilized by dipolar interactions, thus paving the way to the comprehension of the power loss mechanisms for different nanoparticle aggregates.Monodispersed Fe3O4 nanoparticles with comparable size distributions have been synthesized by two different synthesis routes, co-precipitation and thermal decomposition. Thanks to the different steric stabilizations, the described samples can be considered as a model system to investigate the effects of magnetic dipolar interactions on the aggregation states of the nanoparticles. Moreover, the presence of magnetic dipolar interactions can strongly affect the nanoparticle efficiency as a hyperthermic mediator. In this paper, we present a novel way to visualize and map the magnetic dipolar interactions in different kinds of nanoparticle aggregates by the use of Lorentz microscopy, an easy and reliable in-line electron holographic technique. By exploiting Lorentz microscopy, which is complementary to the magnetic measurements, it is possible to correlate the interaction degrees of magnetic nanoparticles with their magnetic behaviors. In particular, we demonstrate that Lorentz microscopy is successful in visualizing the magnetic configurations stabilized by dipolar interactions, thus paving the way to the comprehension of the power loss mechanisms for different nanoparticle aggregates. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr00273g

Mulliken Hush elucidation of the encounter (precursor) complex in intermolecular electron transfer via self-exchange of tetracyanoethylene anion-radical

NASA Astrophysics Data System (ADS)

Rosokha, S. V.; Newton, M. D.; Head-Gordon, M.; Kochi, J. K.

2006-05-01

The paramagnetic [1:1] encounter complex (TCNE)2-rad is established as the important precursor in the kinetics and mechanism of electron-transfer for the self-exchange between tetracyanoethylene acceptor ( TCNE) and its radical-anion as the donor. Spectroscopic observation of the dimeric complex (TCNE)2-rad by its intervalence absorption band at the solvent-dependent wavelength of λIV ˜ 1500 nm facilitates the application of Mulliken-Hush theory which reveals the significant electronic interaction extant between the pair of cofacial TCNE moieties with the sizable coupling of HDA = 1000 cm -1. The transient existence of such an encounter complex provides the critical link in the electron-transfer kinetics by lowering the classical Marcus reorganization barrier by the amount of HDA in this strongly adiabatic system. Ab initio quantum-mechanical methods as applied to independent theoretical computations of both the reorganization energy ( λ) and the electronic coupling element ( HDA) confirm the essential correctness of the Mulliken-Hush formalism for fast electron transfer via strongly coupled donor/acceptor encounter complexes.

Electron acceleration by wave turbulence in a magnetized plasma

NASA Astrophysics Data System (ADS)

Rigby, A.; Cruz, F.; Albertazzi, B.; Bamford, R.; Bell, A. R.; Cross, J. E.; Fraschetti, F.; Graham, P.; Hara, Y.; Kozlowski, P. M.; Kuramitsu, Y.; Lamb, D. Q.; Lebedev, S.; Marques, J. R.; Miniati, F.; Morita, T.; Oliver, M.; Reville, B.; Sakawa, Y.; Sarkar, S.; Spindloe, C.; Trines, R.; Tzeferacos, P.; Silva, L. O.; Bingham, R.; Koenig, M.; Gregori, G.

2018-05-01

Astrophysical shocks are commonly revealed by the non-thermal emission of energetic electrons accelerated in situ1-3. Strong shocks are expected to accelerate particles to very high energies4-6; however, they require a source of particles with velocities fast enough to permit multiple shock crossings. While the resulting diffusive shock acceleration4 process can account for observations, the kinetic physics regulating the continuous injection of non-thermal particles is not well understood. Indeed, this injection problem is particularly acute for electrons, which rely on high-frequency plasma fluctuations to raise them above the thermal pool7,8. Here we show, using laboratory laser-produced shock experiments, that, in the presence of a strong magnetic field, significant electron pre-heating is achieved. We demonstrate that the key mechanism in producing these energetic electrons is through the generation of lower-hybrid turbulence via shock-reflected ions. Our experimental results are analogous to many astrophysical systems, including the interaction of a comet with the solar wind9, a setting where electron acceleration via lower-hybrid waves is possible.

Time-dependent quantum chemistry of laser driven many-electron molecules

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

Nguyen-Dang, Thanh-Tung; Couture-Bienvenue, Étienne; Viau-Trudel, Jérémy

2014-12-28

A Time-Dependent Configuration Interaction approach using multiple Feshbach partitionings, corresponding to multiple ionization stages of a laser-driven molecule, has recently been proposed [T.-T. Nguyen-Dang and J. Viau-Trudel, J. Chem. Phys. 139, 244102 (2013)]. To complete this development toward a fully ab-initio method for the calculation of time-dependent electronic wavefunctions of an N-electron molecule, we describe how tools of multiconfiguration quantum chemistry such as the management of the configuration expansion space using Graphical Unitary Group Approach concepts can be profitably adapted to the new context, that of time-resolved electronic dynamics, as opposed to stationary electronic structure. The method is applied tomore » calculate the detailed, sub-cycle electronic dynamics of BeH{sub 2}, treated in a 3–21G bound-orbital basis augmented by a set of orthogonalized plane-waves representing continuum-type orbitals, including its ionization under an intense λ = 800 nm or λ = 80 nm continuous-wave laser field. The dynamics is strongly non-linear at the field-intensity considered (I ≃ 10{sup 15} W/cm{sup 2}), featuring important ionization of an inner-shell electron and strong post-ionization bound-electron dynamics.« less

Exotic Quantum Phases and Phase Transitions of Strongly Interacting Electrons in Low-Dimensional Systems

NASA Astrophysics Data System (ADS)

Mishmash, Ryan V.

Experiments on strongly correlated quasi-two-dimensional electronic materials---for example, the high-temperature cuprate superconductors and the putative quantum spin liquids kappa-(BEDT-TTF)2Cu2(CN)3 and EtMe3Sb[Pd(dmit)2]2---routinely reveal highly mysterious quantum behavior which cannot be explained in terms of weakly interacting degrees of freedom. Theoretical progress thus requires the introduction of completely new concepts and machinery beyond the traditional framework of the band theory of solids and its interacting counterpart, Landau's Fermi liquid theory. In full two dimensions, controlled and reliable analytical approaches to such problems are severely lacking, as are numerical simulations of even the simplest of model Hamiltonians due to the infamous fermionic sign problem. Here, we attempt to circumvent some of these difficulties by studying analogous problems in quasi-one dimension. In this lower dimensional setting, theoretical and numerical tractability are on much stronger footing due to the methods of bosonization and the density matrix renormalization group, respectively. Using these techniques, we attack two problems: (1) the Mott transition between a Fermi liquid metal and a quantum spin liquid as potentially directly relevant to the organic compounds kappa-(BEDT-TTF)2Cu 2(CN)3 and EtMe3Sb[Pd(dmit)2] 2 and (2) non-Fermi liquid metals as strongly motivated by the strange metal phase observed in the cuprates. In both cases, we are able to realize highly exotic quantum phases as ground states of reasonable microscopic models. This lends strong credence to respective underlying slave-particle descriptions of the low-energy physics, which are inherently strongly interacting and also unconventional in comparison to weakly interacting alternatives. Finally, working in two dimensions directly, we propose a new slave-particle theory which explains in a universal way many of the intriguing experimental results of the triangular lattice organic spin liquid candidates kappa-(BEDT-TTF) 2Cu2(CN)3 and EtMe3Sb[Pd(dmit) 2]2. With use of large-scale variational Monte Carlo calculations, we show that this new state has very competitive trial energy in an effective spin model thought to describe the essential features of the real materials.

Observation of dx2-y-Like Superconducting Gap in an Electron-Doped High-Temperature Superconductor

NASA Astrophysics Data System (ADS)

Sato, T.; Kamiyama, T.; Takahashi, T.; Kurahashi, K.; Yamada, K.

2001-02-01

High-resolution angle-resolved photoemission spectroscopy of the electron-doped high-temperature superconductor Nd2-xCexCuO4 (x = 0.15, transition temperature Tc = 22 K) has found the quasiparticle signature as well as the anisotropic dx2-y-like superconducting gap. The spectral line shape at the superconducting state shows a strong anisotropic nature of the many-body interaction. The result suggests that the electron-hole symmetry is present in the high-temperature superconductors.

Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers

DTIC Science & Technology

2016-06-15

transition metal and non- pair electrons of amine allows us to develop scalable, stable and uniform composite films with numerous combinations of TMD...modification of TMDs sheets with amine-terminated polymers is introduced and the strong Lewis acid-base interaction between transition metal and non- pair ...can be readily entangled with other chains of the matrix polymer, thereby ensuring homogeneous PNC formation. The solvent medium offers an extra

The Relationship between Searches Performed in Online Databases and the Number of Full-Text Articles Accessed: Measuring the Interaction between Database and E-Journal Collections

ERIC Educational Resources Information Center

Lamothe, Alain R.

2011-01-01

The purpose of this paper is to report the results of a quantitative analysis exploring the interaction and relationship between the online database and electronic journal collections at the J. N. Desmarais Library of Laurentian University. A very strong relationship exists between the number of searches and the size of the online database…

Spin filtering by field-dependent resonant tunneling.

PubMed

Ristivojevic, Zoran; Japaridze, George I; Nattermann, Thomas

2010-02-19

We consider theoretically transport in a spinful one-channel interacting quantum wire placed in an external magnetic field. For the case of two pointlike impurities embedded in the wire, under a small voltage bias the spin-polarized current occurs at special points in the parameter space, tunable by a single parameter. At sufficiently low temperatures complete spin polarization may be achieved, provided repulsive interaction between electrons is not too strong.

Enzymatic mechanisms of biological magnetic sensitivity.

PubMed

Letuta, Ulyana G; Berdinskiy, Vitaly L; Udagawa, Chikako; Tanimoto, Yoshifumi

2017-10-01

Primary biological magnetoreceptors in living organisms is one of the main research problems in magnetobiology. Intracellular enzymatic reactions accompanied by electron transfer have been shown to be receptors of magnetic fields, and spin-dependent ion-radical processes can be a universal mechanism of biological magnetosensitivity. Magnetic interactions in intermediate ion-radical pairs, such as Zeeman and hyperfine (HFI) interactions, in accordance with proposed strict quantum mechanical theory, can determine magnetic-field dependencies of reactions that produce biologically important molecules needed for cell growth. Hyperfine interactions of electrons with nuclear magnetic moments of magnetic isotopes can explain the most important part of biomagnetic sensitivities in a weak magnetic field comparable to the Earth's magnetic field. The theoretical results mean that magnetic-field dependencies of enzymatic reaction rates in a weak magnetic field that can be independent of HFI constant a, if H < a, and are determined by the rate constant of chemical transformations in the enzyme active site. Both Zeeman and HFI interactions predict strong magnetic-field dependence in weak magnetic fields and magnetic-field independence of enzymatic reaction rate constants in strong magnetic fields. The theoretical results can explain the magnetic sensitivity of E. coli cell and demonstrate that intracellular enzymatic reactions are primary magnetoreceptors in living organisms. Bioelectromagnetics. 38:511-521, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Changes of the Ionosphere Caused By the Interaction Between the Quasi-Two-Day Wave and Tides

NASA Astrophysics Data System (ADS)

Yue, J.; Wang, W.; Chang, L. C.

2014-12-01

Traveling planetary waves, such as the quasi-two-day wave (QTDW), are one essential element of the mesosphere and lower thermosphere dynamics. These planetary waves have been observed to cause strong ionospheric day-to-day variations. We have understood that the QTDW can impact the thermosphere and ionosphere either by directly penetrating into the lower thermosphere and modulating E-region dynamo in a period of about 2-days, or by enhancing mixing and decreasing thermosphere O/N2 and in ionospheric electron density. In this work, we introduce the third mechanism of how the QTDW impacts the ionosphere, the QTDW-tidal interactions occurring in the mesosphere and lower thermosphere (MLT). We employ the NCAR TIME-GCM to simulate the interaction between the QTDW and tides, and the impact of this interaction on the ionospheric E-region dynamo, equatorial fountain effect, and F-region plasma density. We find that the tidal amplitudes and phases are dramatically altered during strong QTDW events during post-solstice. In particular, the amplitudes of the migrating tides can decrease as much as 20-30%. The changed tides result in different dynamo electric field, vertical ion drift, and thus different diurnal and semidiurnal cycles in F-region electron density.

Emergent functions of quantum materials

NASA Astrophysics Data System (ADS)

Tokura, Yoshinori; Kawasaki, Masashi; Nagaosa, Naoto

2017-11-01

Materials can harbour quantum many-body systems, most typically in the form of strongly correlated electrons in solids, that lead to novel and remarkable functions thanks to emergence--collective behaviours that arise from strong interactions among the elements. These include the Mott transition, high-temperature superconductivity, topological superconductivity, colossal magnetoresistance, giant magnetoelectric effect, and topological insulators. These phenomena will probably be crucial for developing the next-generation quantum technologies that will meet the urgent technological demands for achieving a sustainable and safe society. Dissipationless electronics using topological currents and quantum spins, energy harvesting such as photovoltaics and thermoelectrics, and secure quantum computing and communication are the three major fields of applications working towards this goal. Here, we review the basic principles and the current status of the emergent phenomena and functions in materials from the viewpoint of strong correlation and topology.

Isochoric heating and strong blast wave formation driven by fast electrons in solid-density targets

NASA Astrophysics Data System (ADS)

Santos, J. J.; Vauzour, B.; Touati, M.; Gremillet, L.; Feugeas, J.-L.; Ceccotti, T.; Bouillaud, R.; Deneuville, F.; Floquet, V.; Fourment, C.; Hadj-Bachir, M.; Hulin, S.; Morace, A.; Nicolaï, Ph; d'Oliveira, P.; Reau, F.; Samaké, A.; Tcherbakoff, O.; Tikhonchuk, V. T.; Veltcheva, M.; Batani, D.

2017-10-01

We experimentally investigate the fast (< 1 {ps}) isochoric heating of multi-layer metallic foils and subsequent high-pressure hydrodynamics induced by energetic electrons driven by high-intensity, high-contrast laser pulses. The early-time temperature profile inside the target is measured from the streaked optical pyrometry of the target rear side. This is further characterized from benchmarked simulations of the laser-target interaction and the fast electron transport. Despite a modest laser energy (< 1 {{J}}), the early-time high pressures and associated gradients launch inwards a strong compression wave developing over ≳ 10 ps into a ≈ 140 {Mbar} blast wave, according to hydrodynamic simulations, consistent with our measurements. These experimental and numerical findings pave the way to a short-pulse-laser-based platform dedicated to high-energy-density physics studies.

Learning from Higgs physics at future Higgs factories

DOE PAGES

Gu, Jiayin; Li, Honglei; Liu, Zhen; ...

2017-12-29

Future Higgs factories can reach impressive precision on Higgs property measurements. In this paper, instead of conventional focus of Higgs precision in certain interaction bases, we explored its sensitivity to new physics models at the electron-positron colliders. In particular, we studied two categories of new physics models, Standard Model (SM) with a real scalar singlet extension, and Two Higgs Double Model (2HDM) as examples of weakly-interacting models, Minimal Composite Higgs Model (MCHM) and three typical patterns of the more general operator counting for strong interacting models as examples of strong dynamics. We performed a global fit to various Higgs searchmore » channels to obtain the 95% C.L. constraints on the model parameter space. In the SM with a singlet extension, we obtained the limits on the singlet-doublet mixing angle sin(theta), as well as the more general Wilson coefficients of the induced higher dimensional operators. In the 2HDM, we analyzed tree level effects in tan(beta) vs. cos(beta-alpha) plane, as well as the one-loop contributions from the heavy Higgs bosons in the alignment limit to obtain the constraints on heavy Higgs masses for different types of 2HDM. In strong dynamics models, we obtained lower limits on the strong dynamics scale. In addition, once deviations of Higgs couplings are observed, they can be used to distinguish different models. Here, we also compared the sensitivity of various future Higgs factories, namely Circular Electron Positron Collider (CEPC), Future Circular Collider (FCC)-ee and International Linear Collider (ILC).« less

Learning from Higgs physics at future Higgs factories

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

Gu, Jiayin; Li, Honglei; Liu, Zhen

Future Higgs factories can reach impressive precision on Higgs property measurements. In this paper, instead of conventional focus of Higgs precision in certain interaction bases, we explored its sensitivity to new physics models at the electron-positron colliders. In particular, we studied two categories of new physics models, Standard Model (SM) with a real scalar singlet extension, and Two Higgs Double Model (2HDM) as examples of weakly-interacting models, Minimal Composite Higgs Model (MCHM) and three typical patterns of the more general operator counting for strong interacting models as examples of strong dynamics. We performed a global fit to various Higgs searchmore » channels to obtain the 95% C.L. constraints on the model parameter space. In the SM with a singlet extension, we obtained the limits on the singlet-doublet mixing angle sin(theta), as well as the more general Wilson coefficients of the induced higher dimensional operators. In the 2HDM, we analyzed tree level effects in tan(beta) vs. cos(beta-alpha) plane, as well as the one-loop contributions from the heavy Higgs bosons in the alignment limit to obtain the constraints on heavy Higgs masses for different types of 2HDM. In strong dynamics models, we obtained lower limits on the strong dynamics scale. In addition, once deviations of Higgs couplings are observed, they can be used to distinguish different models. Here, we also compared the sensitivity of various future Higgs factories, namely Circular Electron Positron Collider (CEPC), Future Circular Collider (FCC)-ee and International Linear Collider (ILC).« less

Coupling between graphene and intersubband collective excitations in quantum wells

NASA Astrophysics Data System (ADS)

Gonzalez de la Cruz, G.

2017-08-01

Recently, strong light-matter coupling between the electromagnetic modes in plasmonic metasurfaces with quantum-engineering electronic intersubband transitions in quantum wells has been demonstrated experimentally (Benz et al., [14], Lee et al., [15]). These novel materials combining different two-dimensional electronic systems offer new opportunities for tunable optical devices and fundamental studies of collective excitations driven by interlayer Coulomb interactions. In this work, our aim is to study the plasmon spectra of a hybrid structure consisting of conventional two-dimensional electron gas (2DEG) in a semiconductor quantum well and a graphene sheet with an interlayer separation of a. This electronic bilayer structure is immersed in a nonhomgeneous dielectric background of the system. We use a simple model in which the graphene surface plasmons and both; the intrasubband and intersubband collective electron excitations in the quantum well are coupled via screened Coulomb interaction. Here we calculate the dispersion of these relativistic/nonrelativistic new plasmon modes taking into account the thickness of the quantum well providing analytical expressions in the long-wavelength limit.

New Advancements in the Study of the Uniform Electron Gas with Full Configuration Interaction Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Ruggeri, Michele; Luo, Hongjun; Alavi, Ali

Full Configuration Interaction Quantum Monte Carlo (FCIQMC) is able to give remarkably accurate results in the study of atoms and molecules. The study of the uniform electron gas (UEG) on the other hand has proven to be much harder, particularly in the low density regime. The source of this difficulty comes from the strong interparticle correlations that arise at low density, and essentially forbid the study of the electron gas in proximity of Wigner crystallization. We extend a previous study on the three dimensional electron gas computing the energy of a fully polarized gas for N=27 electrons at high and medium density (rS = 0 . 5 to 5 . 0). We show that even when dealing with a polarized UEG the computational cost of the study of systems with rS > 5 . 0 is prohibitive; in order to deal with correlations and to extend the density range that to be studied we introduce a basis of localized states and an effective transcorrelated Hamiltonian.

Kinetic theory molecular dynamics and hot dense matter: theoretical foundations.

PubMed

Graziani, F R; Bauer, J D; Murillo, M S

2014-09-01

Electrons are weakly coupled in hot, dense matter that is created in high-energy-density experiments. They are also mildly quantum mechanical and the ions associated with them are classical and may be strongly coupled. In addition, the dynamical evolution of plasmas under these hot, dense matter conditions involve a variety of transport and energy exchange processes. Quantum kinetic theory is an ideal tool for treating the electrons but it is not adequate for treating the ions. Molecular dynamics is perfectly suited to describe the classical, strongly coupled ions but not the electrons. We develop a method that combines a Wigner kinetic treatment of the electrons with classical molecular dynamics for the ions. We refer to this hybrid method as "kinetic theory molecular dynamics," or KTMD. The purpose of this paper is to derive KTMD from first principles and place it on a firm theoretical foundation. The framework that KTMD provides for simulating plasmas in the hot, dense regime is particularly useful since current computational methods are generally limited by their inability to treat the dynamical quantum evolution of the electronic component. Using the N-body von Neumann equation for the electron-proton plasma, three variations of KTMD are obtained. Each variant is determined by the physical state of the plasma (e.g., collisional versus collisionless). The first variant of KTMD yields a closed set of equations consisting of a mean-field quantum kinetic equation for the electron one-particle distribution function coupled to a classical Liouville equation for the protons. The latter equation includes both proton-proton Coulombic interactions and an effective electron-proton interaction that involves the convolution of the electron density with the electron-proton Coulomb potential. The mean-field approach is then extended to incorporate equilibrium electron-proton correlations through the Singwi-Tosi-Land-Sjolander (STLS) ansatz. This is the second variant of KTMD. The STLS contribution produces an effective electron-proton interaction that involves the electron-proton structure factor, thereby extending the usual mean-field theory to correlated but near equilibrium systems. Finally, a third variant of KTMD is derived. It includes dynamical electrons and their correlations coupled to a MD description for the ions. A set of coupled equations for the one-particle electron Wigner function and the electron-electron and electron-proton correlation functions are coupled to a classical Liouville equation for the protons. This latter variation has both time and momentum dependent correlations.

Quantum Monte Carlo Studies of Interaction-Induced Localization in Quantum Dots and Wires

NASA Astrophysics Data System (ADS)

Devrim Güçlü, A.

2009-03-01

We investigate interaction-induced localization of electrons in both quantum dots and inhomogeneous quantum wires using variational and diffusion quantum Monte Carlo methods. Quantum dots and wires are highly tunable systems that enable the study of the physics of strongly correlated electrons. With decreasing electronic density, interactions become stronger and electrons are expected to localize at their classical positions, as in Wigner crystallization in an infinite 2D system. (1) Dots: We show that the addition energy shows a clear progression from features associated with shell structure to those caused by commensurability of a Wigner crystal. This cross-over is, then, a signature of localization; it occurs near rs˜20. For higher values of rs, the configuration symmetry of the quantum dot becomes fully consistent with the classical ground state. (2) Wires: We study an inhomogeneous quasi-one-dimensional system -- a wire with two regions, one at low density and the other high. We find that strong localization occurs in the low density quantum point contact region as the gate potential is increased. The nature of the transition from high to low density depends on the density gradient -- if it is steep, a barrier develops between the two regions, causing Coulomb blockade effects. We find no evidence for ferromagnetic spin polarization for the range of parameters studied. The picture emerging here is in good agreement with the experimental measurements of tunneling between two wires. Collaborators: C. J. Umrigar (Cornell), Hong Jiang (Fritz Haber Institut), Amit Ghosal (IISER Calcutta), and H. U. Baranger (Duke).

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

Control of electron spin and orbital resonances in quantum dots through spin-orbit interactions

NASA Astrophysics Data System (ADS)

Stano, Peter; Fabian, Jaroslav

2008-01-01

The influence of a resonant oscillating electromagnetic field on a single electron in coupled lateral quantum dots in the presence of phonon-induced relaxation and decoherence is investigated. Using symmetry arguments, it is shown that the spin and orbital resonances can be efficiently controlled by spin-orbit interactions. The control is possible due to the strong sensitivity of the Rabi frequency to the dot configuration (the orientation of the dot and the applied static magnetic field); the sensitivity is a result of the anisotropy of the spin-orbit interactions. The so-called easy passage configuration is shown to be particularly suitable for a magnetic manipulation of spin qubits, ensuring long spin relaxation times and protecting the spin qubits from electric field disturbances accompanying on-chip manipulations.

Microscopic theory of longitudinal sound velocity in charge ordered manganites.

PubMed

Rout, G C; Panda, S

2009-10-14

A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e(g) band, an exchange interaction between spins of the itinerant e(g) band electrons and the core t(2g) electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

Delocalization of charge and current in a chiral quasiparticle wave packet

NASA Astrophysics Data System (ADS)

Sarkar, Subhajit

2018-03-01

A chiral quasiparticle wave packet (c-QPWP) is defined as a conventional superposition of chiral quasiparticle states corresponding to an interacting electron system in two dimensions (2D) in the presence of Rashba spin-orbit coupling (RSOC). I investigate its internal structure via studying the charge and the current densities within the first-order perturbation in the electron-electron interaction. It is found that the c-QPWP contains a localized charge which is less than the magnitude of the bare charge and the remaining charge resides at the system boundary. The amount of charge delocalized turns out to be inversely proportional to the degenerate Fermi velocity v0(=√{α2+2 μ /m }) when RSOC (with strength α ) is weak, and therefore externally tunable. For strong RSOC, the magnitudes of both the delocalized charge and the current further strongly depend on the direction of propagation of the wave packet. Both the charge and the current densities consist of an anisotropic r-2 tail away from the center of the wave packet. Possible implications of such delocalizations in real systems corresponding to 2D semiconductor heterostructure are also discussed within the context of particle injection experiments.

Drude weight and optical conductivity of a two-dimensional heavy-hole gas with k-cubic spin-orbit interactions

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

Mawrie, Alestin; Ghosh, Tarun Kanti

We present a detailed theoretical study on zero-frequency Drude weight and optical conductivity of a two-dimensional heavy-hole gas (2DHG) with k-cubic Rashba and Dresselhaus spin-orbit interactions. The presence of k-cubic spin-orbit couplings strongly modifies the Drude weight in comparison to the electron gas with k-linear spin-orbit couplings. For large hole density and strong k-cubic spin-orbit couplings, the density dependence of Drude weight deviates from the linear behavior. We establish a relation between optical conductivity and the Berry connection. Unlike two-dimensional electron gas with k-linear spin-orbit couplings, we explicitly show that the optical conductivity does not vanish even for equal strengthmore » of the two spin-orbit couplings. We attribute this fact to the non-zero Berry phase for equal strength of k-cubic spin-orbit couplings. The least photon energy needed to set in the optical transition in hole gas is one order of magnitude smaller than that of electron gas. Types of two van Hove singularities appear in the optical spectrum are also discussed.« less

Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory

NASA Astrophysics Data System (ADS)

Rohringer, G.; Hafermann, H.; Toschi, A.; Katanin, A. A.; Antipov, A. E.; Katsnelson, M. I.; Lichtenstein, A. I.; Rubtsov, A. N.; Held, K.

2018-04-01

Strong electronic correlations pose one of the biggest challenges to solid state theory. Recently developed methods that address this problem by starting with the local, eminently important correlations of dynamical mean field theory (DMFT) are reviewed. In addition, nonlocal correlations on all length scales are generated through Feynman diagrams, with a local two-particle vertex instead of the bare Coulomb interaction as a building block. With these diagrammatic extensions of DMFT long-range charge, magnetic, and superconducting fluctuations as well as (quantum) criticality can be addressed in strongly correlated electron systems. An overview is provided of the successes and results achieved, mainly for model Hamiltonians, and an outline is given of future prospects for realistic material calculations.

Stopping power beyond the adiabatic approximation

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

Caro, M.; Correa, A. A.; Artacho, E.

2017-06-01

Energetic ions traveling in solids deposit energy in a variety of ways, being nuclear and electronic stopping the two avenues in which dissipation is usually treated. This separation between electrons and ions relies on the adiabatic approximation in which ions interact via forces derived from the instantaneous electronic ground state. In a more detailed view, in which non-adiabatic effects are explicitly considered, electronic excitations alter the atomic bonding, which translates into changes in the interatomic forces. In this work, we use time dependent density functional theory and forces derived from the equations of Ehrenfest dynamics that depend instantaneously on themore » time-dependent electronic density. With them we analyze how the inter-ionic forces are affected by electronic excitations in a model of a Ni projectile interacting with a Ni target, a metallic system with strong electronic stopping and shallow core level states. We find that the electronic excitations induce substantial modifications to the inter-ionic forces, which translate into nuclear stopping power well above the adiabatic prediction. Particularly, we observe that most of the alteration of the adiabatic potential in early times comes from the ionization of the core levels of the target ions, not readily screened by the valence electrons.« less

Phonon Effects on Charge Transport Through a Two State Molecule

NASA Astrophysics Data System (ADS)

Ulloa, Sergio E.; Yudiarsah, Efta

2008-03-01

We study the effect of local and non-local phonon on the transport properties of a molecule model described by two- electronic states. The local phonon interaction is tackled by means of a Lang Firsov transformation [1,2]. The interaction with non-local phonons (phonon-assisted hopping) is considered perturbatively up to the first nonzero order in the self energy. The presence of different kinds of electron-phonon interaction open new transmission channels. In addition to the polaron shift and replicas due to local phonons, non-local phonons cause the appearance of new satellite states around the initial states. In the weak coupling regime of non-local phonon and electrons, states are shifted an amount proportional to square of the interaction. However, in the strong coupling regime, the non-linear effects emerge and display more interesting features on transport properties. Additional features on transport properties due to new transmission channel are shown to appear at finite temperatures. [1] G. D. Mahan, Many-particle physics, 3rd ed. (Plenum Publishers, New York, 2000). [2] R. Gutierrez et al., Phys. Rev. B. 74, 235105 (2006).

Layer-Dependent Ultrafast Carrier and Coherent Phonon Dynamics in Black Phosphorus.

PubMed

Miao, Xianchong; Zhang, Guowei; Wang, Fanjie; Yan, Hugen; Ji, Minbiao

2018-05-09

Black phosphorus is a layered semiconducting material, demonstrating strong layer-dependent optical and electronic properties. Probing the photophysical properties on ultrafast time scales is of central importance in understanding many-body interactions and nonequilibrium quasiparticle dynamics. Here, we applied temporally, spectrally, and spatially resolved pump-probe microscopy to study the transient optical responses of mechanically exfoliated few-layer black phosphorus, with layer numbers ranging from 2 to 9. We have observed layer-dependent resonant transient absorption spectra with both photobleaching and red-shifted photoinduced absorption features, which could be attributed to band gap renormalization of higher subband transitions. Surprisingly, coherent phonon oscillations with unprecedented intensities were observed when the probe photons were in resonance with the optical transitions, which correspond to the low-frequency layer-breathing mode. Our results reveal strong Coulomb interactions and electron-phonon couplings in photoexcited black phosphorus, providing important insights into the ultrafast optical, nanomechanical, and optoelectronic properties of this novel two-dimensional material.

Interaction between fullerenes and single-wall carbon nanotubes: the influence of fullerene size and electronic structure.

PubMed

Hao, Jian; Guan, Lunhui; Guo, Xihong; Lian, Yongfu; Zhao, Shixiong; Dong, Jinquan; Yang, Shangyuan; Zhang, Hong; Sun, Baoyun

2011-09-01

A series of fullerenes and endohedral metallofullerenes peapods have been synthesized by supercritical method in high filling rate. The interaction between SWNTs and various kinds of fullerenes (C60, C70, C78, C84) and metallofullerenes (Gd@C82, Er@C82, Ho@C82, Y@C82) has been further investigated. The slight blue shift of G-band in Raman spectra with respect to pristine SWNTs was attributed to the charge transfer from SWNTs to fullerenes cage. The obvious RBM shift strongly depended on the distance between the inner wall of the SWNTs and the fullerene cage and also partly associated with the electronic structure of the fullerene. These results indicated that the interaction between fullerenes and SWNTs, which was considered to be the van de walls interaction, can be influenced by the cage size and the kind of fullerenes.

SIDDHARTA results and implications of the results on antikaon-nucleon interaction

NASA Astrophysics Data System (ADS)

Marton, J.; Bazzi, M.; Beer, G.; Berucci, C.; Bellotti, G.; Bosnar, D.; Bragadireanu, A. M.; Cargnelli, M.; Clozza, A.; Curceanu, C.; Butt, A. Dawood; Fiorini, C.; Ghio, F.; Guaraldo, C.; Hayano, R.; Iliescu, M.; Iwasaki, M.; Sandri, P. Levi; Okada, S.; Pietreanu, D.; Piscicchia, K.; Vidal, A. Romero; Scordo, A.; Shi, H.; Sirghi, D. L.; Sirghi, F.; Tatsuno, H.; Doce, O. Vazquez; Widmann, E.; Zmeskal, J.

2016-05-01

The interaction of antikaons (K-) with nucleons and nuclei in the low-energy regime represents an active research field in hadron physics. There are important open questions like the existence of antikaon nuclear bound states like the prototype system being K- pp. Unique and rather direct experimental access to the antikaon-nucleon scattering lengths is provided by precision X-ray spectroscopy of transitions in low-lying states in light kaonic atoms like kaonic hydrogen and helium isotopes. In the SIDDHARTA experiment at the electron-positron collider DAΦNE of LNF-INFN we measured the most precise values of the strong interaction observables, i.e. the strong interaction on the 1s ground state of the electromagnetically bound K-p atom leading to energy shift and broadening of the 1s state. The SIDDHARTA result triggered new theoretical work, which achieved major progress in the understanding of the low-energy strong interaction with strangeness reflected by the antikaon-nucleon scattering lengths calculated with the K--proton amplitudes constrained by the SIDDHARTA data. The most important open question is the experimental determination of the hadronic energy shift and width of kaonic deuterium which is planned by the SIDDHARTA-2 Collaboration.

Theory of even-parity states and two-photon spectra of conjugated polymers

NASA Astrophysics Data System (ADS)

McWilliams, P. C. M.; Hayden, G. W.; Soos, Z. G.

1991-04-01

The two-photon absorption (TPA) spectrum of interacting π electrons in conjugated polymers is shown to be qualitatively different from any single-particle description, including the Hartree-Fock limit. Alternating transfer integrals t(1+/-δ) along the backbone lead to a weak TPA below the one-photon gap Eg for arbitrarily weak correlations at δ=0, for intermediate correlations at δ=0.07 in polyenes, and for strong correlations at any δ<1. More intense TPA is derived from two-electron transfer across Eg; this even-parity state shifts from 2Eg in single-particle theory to Eg in the limit of strong correlations in Hubbard models and is around 1.5Eg for Pariser-Parr-Pople (PPP) parameters. The PPP model, which accounts for one- and two-photon excitations of finite polyenes, is extended to even-parity states in polydiacetylenes (PDA's), polyacetylene (PA), and polysilanes (PS's). Previous experimental data for PDA and PS support both the strong TPA above Eg and weak TPA slightly below Eg for δ=0.15 in PDA and above Eg for δ~0.3 in PS. The strong TPA expected around 1.5Eg in isolated PA strands shifts to ~Eg due to interchain π-electron dispersion forces. TPA intensities in correlated states are shown to reflect both ionicity and mean-square charge separation. The even-parity states of conjugated polymers, like those of polyenes, show qualitatively different features associated with electron-electron correlations.

Tuning the physical properties in strontium iridate heterostructures

NASA Astrophysics Data System (ADS)

Nichols, John; Meyer, Tricia; Lee, Ho Nyung

2015-03-01

Strontium iridate (Srn+1IrnO3n+1) has received lots of attention recently for its potential to reveal novel physical phenomena due to strong spin-orbital coupling with an interaction energy comparable to that of the on-site Coulomb interaction and crystal field splitting. The coexistence of fundamental interactions has created an exotic Jeff = 1/2 antiferromagnetic insulating ground state in Sr2IrO4. In particular, it is known that this system can be driven into a metallic state with the simultaneous increase in dimensionality (n) and strain. We have investigated the effects of electron confinement by interfacing strontium iridates with other perovskite oxides. We have synthesized thin film heterostructures, SrIrO3/AMO3 (A = Sr, La; B = Ti, Mn, Rh), layer-by-layer with pulsed laser deposition equipped with reflection high-energy electron diffraction. Based on investigations with x-ray diffraction, dc transport, SQUID magnetometry, and various spectroscopic measurements, we will present that the physical properties of the heterostructures are strongly dependent on spatial confinement and epitaxial strain. *This work was supported by the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division.

Epitaxially grown strained pentacene thin film on graphene membrane.

PubMed

Kim, Kwanpyo; Santos, Elton J G; Lee, Tae Hoon; Nishi, Yoshio; Bao, Zhenan

2015-05-06

Organic-graphene system has emerged as a new platform for various applications such as flexible organic photovoltaics and organic light emitting diodes. Due to its important implication in charge transport, the study and reliable control of molecular packing structures at the graphene-molecule interface are of great importance for successful incorporation of graphene in related organic devices. Here, an ideal membrane of suspended graphene as a molecular assembly template is utilized to investigate thin-film epitaxial behaviors. Using transmission electron microscopy, two distinct molecular packing structures of pentacene on graphene are found. One observed packing structure is similar to the well-known bulk-phase, which adapts a face-on molecular orientation on graphene substrate. On the other hand, a rare polymorph of pentacene crystal, which shows significant strain along the c-axis, is identified. In particular, the strained film exhibits a specific molecular orientation and a strong azimuthal correlation with underlying graphene. Through ab initio electronic structure calculations, including van der Waals interactions, the unusual polymorph is attributed to the strong graphene-pentacene interaction. The observed strained organic film growth on graphene demonstrates the possibility to tune molecular packing via graphene-molecule interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Adsorption mechanism of SF6 decomposed species on pyridine-like PtN3 embedded CNT: A DFT study

NASA Astrophysics Data System (ADS)

Cui, Hao; Zhang, Xiaoxing; Chen, Dachang; Tang, Ju

2018-07-01

Metal-Nx embedded CNT have aroused considerable attention in the field of gas interaction due to their strong catalytic behavior, which provides prospective scopes for gas adsorption and sensing. Detecting SF6 decomposed species in certain devices is essential to guarantee their safe operation. In this work, we performed DFT method and simulated the adsorption of three SF6 decomposed gases (SO2, SOF2 and SO2F2) onto the PtN3 embedded CNT surface, in order to shed light on its adsorption ability and sensing mechanism. Results suggest that the CNT embedded with PtN3 center has strong interaction with these gas molecules, leading to high hybridization between Pt dopant and active atoms inner gas molecules. These interactions are assumed to be chemisorption due to the remarkable Ead and QT, thus resulting in dramatic deformations in electronic structure of PtN3-CNT near the Fermi level. Furthermore, the electronic redistribution cause the conductivity increase of proposed material in three systems, based on frontier molecular orbital theory. Our calculations attempt to suggest novel sensing material that are potentially employed in detection of SF6 decomposed components.

Experimental observation of attosecond control over relativistic electron bunches with two-colour fields

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

Yeung, M.; Rykovanov, S.; Bierbach, J.

2016-12-05

Energy coupling during relativistically intense laser–matter interactions is encoded in the attosecond motion of strongly driven electrons at the pre-formed plasma–vacuum boundary. Studying and controlling this motion can reveal details about the microscopic processes that govern a vast array of light–matter interaction phenomena, including those at the forefront of extreme laser–plasma science such as laser-driven ion acceleration, bright attosecond pulse generation and efficient energy coupling for the generation and study of warm dense matter. Here in this paper, we experimentally demonstrate that by precisely adjusting the relative phase of an additional laser beam operating at the second harmonic of themore » driving laser it is possible to control the trajectories of relativistic electron bunches formed during the interaction with a solid target at the attosecond scale. Finally, we observe significant enhancements in the resulting high-harmonic yield, suggesting potential applications for sources of ultra-bright, extreme ultraviolet attosecond radiation to be used in atomic and molecular pump–probe experiments« less

Adsorption behavior of COF2 and CF4 gas on the MoS2 monolayer doped with Ni: A first-principles study

NASA Astrophysics Data System (ADS)

Li, Yi; Zhang, Xiaoxing; Chen, Dachang; Xiao, Song; Tang, Ju

2018-06-01

CF4 and COF2 are the two main decomposition products of fluorocarbon gas insulating medium. We explored the gas sensing properties of Ni-MoS2 to CF4 and COF2 based on the density functional theory calculations. The adsorption energy, charge transfer, density of states and electron density difference have been discussed. It was found that the interaction between COF2 molecule and Ni-MoS2 is strong, and the adsorption energy is 0.723 eV. Ni-MoS2 acts as the electron donor and transfers some electrons to COF2 molecule during the interaction. The adsorption energy of CF4 on Ni-MoS2 is lower than that of COF2, and the interaction between them belongs to physical adsorption. Ni-MoS2 has the potential to be used as a gas sensor for COF2 detection using in the field of gas insulated switchgear on-line monitoring.

Electron-phonon interaction model and prediction of thermal energy transport in SOI transistor.

PubMed

Jin, Jae Sik; Lee, Joon Sik

2007-11-01

An electron-phonon interaction model is proposed and applied to thermal transport in semiconductors at micro/nanoscales. The high electron energy induced by the electric field in a transistor is transferred to the phonon system through electron-phonon interaction in the high field region of the transistor. Due to this fact, a hot spot occurs, which is much smaller than the phonon mean free path in the Si-layer. The full phonon dispersion model based on the Boltzmann transport equation (BTE) with the relaxation time approximation is applied for the interactions among different phonon branches and different phonon frequencies. The Joule heating by the electron-phonon scattering is modeled through the intervalley and intravalley processes for silicon by introducing average electron energy. The simulation results are compared with those obtained by the full phonon dispersion model which treats the electron-phonon scattering as a volumetric heat source. The comparison shows that the peak temperature in the hot spot region is considerably higher and more localized than the previous results. The thermal characteristics of each phonon mode are useful to explain the above phenomena. The optical mode phonons of negligible group velocity obtain the highest energy density from electrons, and resides in the hot spot region without any contribution to heat transport, which results in a higher temperature in that region. Since the acoustic phonons with low group velocity show the higher energy density after electron-phonon scattering, they induce more localized heating near the hot spot region. The ballistic features are strongly observed when phonon-phonon scattering rates are lower than 4 x 10(10) S(-1).

Connectivity between electron transport complexes and modulation of photosystem II activity in chloroplasts.

PubMed

Tikhonov, Alexander N; Vershubskii, Alexey V

2017-09-01

In chloroplasts, photosynthetic electron transport complexes interact with each other via the mobile electron carriers (plastoquinone and plastocyanin) which are in surplus amounts with respect to photosystem I and photosystem II (PSI and PSII), and the cytochrome b 6 f complex. In this work, we analyze experimental data on the light-induced redox transients of photoreaction center P 700 in chloroplasts within the framework of our mathematical model. This analysis suggests that during the action of a strong actinic light, even significant attenuation of PSII [for instance, in the result of inhibition of a part of PSII complexes by DCMU or due to non-photochemical quenching (NPQ)] will not cause drastic shortage of electron flow through PSI. This can be explained by "electronic" and/or "excitonic" connectivity between different PSII units. At strong AL, the overall flux of electrons between PSII and PSI will maintain at a high level even with the attenuation of PSII activity, provided the rate-limiting step of electron transfer is beyond the stage of PQH 2 formation. Results of our study are briefly discussed in the context of NPQ-dependent mechanism of chloroplast protection against light stress.

Quantum Nuclear Dynamics Pumped and Probed by Ultrafast Polarization Controlled Steering of a Coherent Electronic State in LiH.

PubMed

Nikodem, Astrid; Levine, R D; Remacle, F

2016-05-19

The quantum wave packet dynamics following a coherent electronic excitation of LiH by an ultrashort, polarized, strong one-cycle infrared optical pulse is computed on several electronic states using a grid method. The coupling to the strong field of the pump and the probe pulses is included in the Hamiltonian used to solve the time-dependent Schrodinger equation. The polarization of the pump pulse allows us to control the localization in time and in space of the nonequilibrium coherent electronic motion and the subsequent nuclear dynamics. We show that transient absorption, resulting from the interaction of the total molecular dipole with the electric fields of the pump and the probe, is a very versatile probe of the different time scales of the vibronic dynamics. It allows probing both the ultrashort, femtosecond time scale of the electronic coherences as well as the longer dozens of femtoseconds time scales of the nuclear motion on the excited electronic states. The ultrafast beatings of the electronic coherences in space and in time are shown to be modulated by the different periods of the nuclear motion.

Exciton confinement in organic dendrimer quantum wells for opto-electronic applications

NASA Astrophysics Data System (ADS)

Lupton, J. M.; Samuel, I. D. W.; Burn, P. L.; Mukamel, S.

2002-01-01

Organic dendrimers are a fascinating new class of materials for opto-electronic applications. We present coupled electronic oscillator calculations on novel nanoscale conjugated dendrimers for use in organic light-emitting diodes. Strong confinement of excitations at the center of the dendrimers is observed, which accounts for the dependence of intermolecular interactions and charge transport on the degree of branching of the dendrimer. The calculated absorption spectra are in excellent agreement with the measured data and show that benzene rings are shared between excitations on the linear segments of the hyperbranched molecules. The coupled electronic oscillator approach is ideally suited to treat large dendritic molecules.

FAST TRACK COMMUNICATION: Attosecond correlation dynamics during electron tunnelling from molecules

NASA Astrophysics Data System (ADS)

Walters, Zachary B.; Smirnova, Olga

2010-08-01

In this communication, we present an analytical theory of strong-field ionization of molecules, which takes into account the rearrangement of multiple interacting electrons during the ionization process. We show that such rearrangement offers an alternative pathway to the ionization of orbitals more deeply bound than the highest occupied molecular orbital. This pathway is not subject to the full exponential suppression characteristic of direct tunnel ionization from the deeper orbitals. The departing electron produces an 'attosecond correlation pulse' which controls the rearrangement during the tunnelling process. The shape and duration of this pulse are determined by the electronic structure of the relevant states, molecular orientation and laser parameters.

Superconductivity in electron-doped arsenene

NASA Astrophysics Data System (ADS)

Kong, Xin; Gao, Miao; Yan, Xun-Wang; Lu, Zhong-Yi; Xiang, Tao

2018-04-01

Based on the first-principles density functional theory electronic structure calculation, we investigate the possible phonon-mediated superconductivity in arsenene, a two-dimensional buckled arsenic atomic sheet, under electron doping. We find that the strong superconducting pairing interaction results mainly from the $p_z$-like electrons of arsenic atoms and the $A_1$ phonon mode around the $K$ point, and the superconducting transition temperature can be as high as 30.8 K in the arsenene with 0.2 doped electrons per unit cell and 12\\% applied biaxial tensile strain. This transition temperature is about ten times higher than that in the bulk arsenic under high pressure. It is also the highest transition temperature that is predicted for electron-doped two-dimensional elemental superconductors, including graphene, silicene, phosphorene, and borophene.

Giant titanium electron wave function in gallium oxide: A potential electron-nuclear spin system for quantum information processing

NASA Astrophysics Data System (ADS)

Mentink-Vigier, Frédéric; Binet, Laurent; Vignoles, Gerard; Gourier, Didier; Vezin, Hervé

2010-11-01

The hyperfine interactions of the unpaired electron with eight surrounding G69a and G71a nuclei in Ti-doped β-Ga2O3 were analyzed by electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) spectroscopies. They are dominated by strong isotropic hyperfine couplings due to a direct Fermi contact interaction with Ga nuclei in octahedral sites of rutile-type chains oriented along b axis, revealing a large anisotropic spatial extension of the electron wave function. Titanium in β-Ga2O3 is thus best described as a diffuse (Ti4+-e-) pair rather than as a localized Ti3+ . Both electron and G69a nuclear spin Rabi oscillations could be observed by pulsed EPR and pulsed ENDOR, respectively. The electron spin decoherence time is about 1μs (at 4 K) and an upper bound of 520μs (at 8 K) is estimated for the nuclear decoherence time. Thus, β-Ga2O3:Ti appears to be a potential spin-bus system for quantum information processing with a large nuclear spin quantum register.

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

Enormous Hydrogen Bond Strength Enhancement through π-Conjugation Gain: Implications for Enzyme Catalysis.

PubMed

Wu, Chia-Hua; Ito, Keigo; Buytendyk, Allyson M; Bowen, K H; Wu, Judy I

2017-08-22

Surprisingly large resonance-assistance effects may explain how some enzymes form extremely short, strong hydrogen bonds to stabilize reactive oxyanion intermediates and facilitate catalysis. Computational models for several enzymic residue-substrate interactions reveal that when a π-conjugated, hydrogen bond donor (XH) forms a hydrogen bond to a charged substrate (Y - ), XH can become significantly more π-electron delocalized, and this "extra" stabilization may boost the [XH···Y - ] hydrogen bond strength by ≥15 kcal/mol. This reciprocal relationship departs from the widespread pK a concept (i.e., the idea that short, strong hydrogen bonds form when the interacting moieties have matching pK a values), which has been the rationale for enzymic acid-base reactions. The findings presented here provide new insight into how short, strong hydrogen bonds could form in enzymes.

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

Gu, L. L.; Guo, X. G., E-mail: xgguo@mail.sim.ac.cn; Fu, Z. L.

Strong and sharp photocurrent peak at longitudinal optical (LO) phonon frequency (8.87 THz) is found in GaAs/(Al,Ga)As terahertz quantum-well photodetectors (QWPs). Two mesa-structure terahertz QWPs with and without one-dimensional metal grating are fabricated to investigate the behavior of such photoresponse peak. The experimental and simulation results indicate that the photocurrent peak originates from a two-step process. First, at the LO phonon frequency, a large number of non-equilibrium LO phonons are excited by the incident electromagnetic field, and the electromagnetic energy is localized and enhanced in the thin multi-quantum-well layer. Second, through the Frohlich interaction, the localized electrons are excited tomore » continuum states by absorbing the non-equilibrium LO phonons, which leads to the strong photoresponse peak. This finding is useful for exploring strong light-matter interaction and realizing high sensitive terahertz photodetectors.« less

Magnetic resonance investigation of magnetic-labeled baker's yeast cells

NASA Astrophysics Data System (ADS)

Godoy Morais, J. P. M.; Azevedo, R. B.; Silva, L. P.; Lacava, Z. G. M.; Báo, S. N.; Silva, O.; Pelegrini, F.; Gansau, C.; Buske, N.; Safarik, I.; Safarikova, M.; Morais, P. C.

2004-05-01

In this study, the interaction of DMSA-coated magnetite nanoparticles (5 and 10 nm core-size) with Saccharomyces cerevisae was investigated using magnetic resonance (MR) and transmission electron microscopy (TEM). The TEM micrographs revealed magnetite nanoparticles attached externally to the cell wall. The MR data support the strong interaction among the nanoparticles supported by the cells. A remarkable shift in the resonance field was used as signature of particle attachment to the cell wall.

Molecular engineered conjugated polymer with high thermal conductivity

PubMed Central

Song, Bai; Lee, Elizabeth M. Y.; Gleason, Karen K.

2018-01-01

Traditional polymers are both electrically and thermally insulating. The development of electrically conductive polymers has led to novel applications such as flexible displays, solar cells, and wearable biosensors. As in the case of electrically conductive polymers, the development of polymers with high thermal conductivity would open up a range of applications in next-generation electronic, optoelectronic, and energy devices. Current research has so far been limited to engineering polymers either by strong intramolecular interactions, which enable efficient phonon transport along the polymer chains, or by strong intermolecular interactions, which enable efficient phonon transport between the polymer chains. However, it has not been possible until now to engineer both interactions simultaneously. We report the first realization of high thermal conductivity in the thin film of a conjugated polymer, poly(3-hexylthiophene), via bottom-up oxidative chemical vapor deposition (oCVD), taking advantage of both strong C=C covalent bonding along the extended polymer chain and strong π-π stacking noncovalent interactions between chains. We confirm the presence of both types of interactions by systematic structural characterization, achieving a near–room temperature thermal conductivity of 2.2 W/m·K, which is 10 times higher than that of conventional polymers. With the solvent-free oCVD technique, it is now possible to grow polymer films conformally on a variety of substrates as lightweight, flexible heat conductors that are also electrically insulating and resistant to corrosion. PMID:29670943

Signature of charge migration in modulations of double ionization

NASA Astrophysics Data System (ADS)

Mauger, François; Abanador, Paul M.; Bruner, Adam; Sissay, Adonay; Gaarde, Mette B.; Lopata, Kenneth; Schafer, Kenneth J.

2018-04-01

We present a theoretical investigation of charge migration following strong-field ionization in a multielectron system. We study a model homonuclear molecule with two electrons, each restricted to one dimension (1 +1 D ), interacting with a strong, static electric field. We show that in this system charge migration results from the interplay between multiple ionization channels that overlap in space, creating a coherent electron-hole wave packet in the cation. We also find that, in our case, charge migration following the first ionization manifests as a modulation of the subsequent double-ionization signal. We derive a parametrized semiclassical model from the full multielectron system and we discuss the importance of the choice of cation electronic-structure basis for the efficacy of the semiclassical representation. We use the ab initio solution of the full 1 +1 D system as a reference for the qualitative and quantitative results of the parametrized semiclassical model. We discuss the extension of our model to long-wavelength time-dependent fields with full-dimension, many-electron targets.

Collisionless plasma interpenetration in a strong magnetic field for laboratory astrophysics experiments

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

Korneev, Ph., E-mail: korneev@theor.mephi.ru; National Research Nuclear University “MEPhI”, 115409, Moscow; D'Humières, E.

A theoretical analysis for astrophysics-oriented laser-matter interaction experiments in the presence of a strong ambient magnetic field is presented. It is shown that the plasma collision in the ambient magnetic field implies significant perturbations in the electron density and magnetic field distribution. This transient stage is difficult to observe in astrophysical phenomena, but it could be investigated in laboratory experiments. Analytic models are presented, which are supported by particles-in-cell simulations.

Phonon-drag magnetothermopower in Rashba spin-split two-dimensional electron systems.

PubMed

Biswas, Tutul; Ghosh, Tarun Kanti

2013-10-16

We study the phonon-drag contribution to the thermoelectric power in a quasi-two-dimensional electron system confined in GaAs/AlGaAs heterostructure in the presence of both Rashba spin-orbit interaction and perpendicular magnetic field at very low temperature. It is observed that the peaks in the phonon-drag thermopower split into two when the Rashba spin-orbit coupling constant is strong. This splitting is a direct consequence of the Rashba spin-orbit interaction. We show the dependence of phonon-drag thermopower on both magnetic field and temperature numerically. A power-law dependence of phonon-drag magnetothermopower on the temperature in the Bloch-Gruneisen regime is found. We also extract the exponent of the temperature dependence of phonon-drag thermopower for different parameters like electron density, magnetic field, and the spin-orbit coupling constant.

Coherent excitations revealed and calculated

NASA Astrophysics Data System (ADS)

Georges, Antoine

2018-01-01

Quantum entities manifest themselves as either particles or waves. In a physical system containing a very large number of identical particles, such as electrons in a material, individualistic (particle-like) behavior prevails at high temperatures. At low temperatures, collective behavior emerges, and excitations of the system in this regime are best described as waves—long-lived phenomena that are periodic in both space and time and often dubbed “coherent excitations” by physicists. On page 186 of this issue, Goremychkin et al. (1) used experiment and theory to describe the emergence of coherent excitations in a complex quantum system with strong interactions. They studied a cerium-palladium compound, CePd3, in which the very localized electrons of 4f orbitals of Ce interact with the much more itinerant conduction electrons of the extended d orbitals of Pd at low temperatures to create a wavelike state.

Two-electron states of a group-V donor in silicon from atomistic full configuration interactions

NASA Astrophysics Data System (ADS)

Tankasala, Archana; Salfi, Joseph; Bocquel, Juanita; Voisin, Benoit; Usman, Muhammad; Klimeck, Gerhard; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.; Rogge, Sven; Rahman, Rajib

2018-05-01

Two-electron states bound to donors in silicon are important for both two-qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multielectron exchange and correlation effects taking into account the full band structure of silicon and the atomic-scale granularity of a nanoscale device. Excited s -like states of A1 symmetry are found to strongly influence the charging energy of a negative donor center. We apply the technique on subsurface dopants subjected to gate electric fields and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the two-electron states in various confinement regimes, may enable engineering electrical control of spins in donor-dot hybrid qubits.

CAST constraints on the axion-electron coupling

DOE PAGES

None, None

2013-05-09

In non-hadronic axion models, which have a tree-level axion-electron interaction, the Sun produces a strong axion flux by bremsstrahlung, Compton scattering, and axio- recombination, the “BCA processes.” Based on a new calculation of this flux, including for the first time axio-recombination, we derive limits on the axion-electron Yukawa coupling g ae and axion-photon interaction strength g aγ using the CAST phase-I data (vacuum phase). For m a ≲ 10 meV/c 2 we find g aγ gae < 8.1 × 10–23 GeV–1 at 95% CL. We stress that a next-generation axion helioscope such as the proposed IAXO could push this sensitivitymore » into a range beyond stellar energy-loss limits and test the hypothesis that white-dwarf cooling is dominated by axion emission.« less

A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH.

PubMed

Kashinski, D O; Talbi, D; Hickman, A P; Di Nallo, O E; Colboc, F; Chakrabarti, K; Schneider, I F; Mezei, J Zs

2017-05-28

A quantitative theoretical study of the dissociative recombination of SH + with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH + and SH. The block diagonalization method was used to disentangle strongly interacting SH valence and Rydberg states and to construct a diabatic Hamiltonian whose diagonal matrix elements provide the diabatic potential energy curves. The off-diagonal elements are related to the electronic valence-Rydberg couplings. Cross sections and rate coefficients for the dissociative recombination reaction were calculated with a stepwise version of the multichannel quantum defect theory, using the molecular data provided by the block diagonalization method. The calculated rates are compared with the most recent measurements performed on the ion Test Storage Ring (TSR) in Heidelberg, Germany.

Strongly interacting photons in asymmetric quantum well via resonant tunneling.

PubMed

Sun, H; Fan, S L; Feng, X L; Wu, C F; Gong, S Q; Huang, G X; Oh, C H

2012-04-09

We propose an asymmetric quantum well structure to realize strong interaction between two slow optical pulses. The essential idea is the combination of the advantages of inverted-Y type scheme and resonant tunneling. We analytically demonstrate that giant cross-Kerr nonlinearity can be achieved with vanishing absorptions. Owing to resonant tunneling, the contributions of the probe and signal cross-Kerr nonlinearities to total nonlinear phase shift vary from destructive to constrictive, leading to nonlinear phase shift on order of π at low light level. In this structure, the scheme is inherent symmetric for the probe and signal pulses. Consequently, the condition of group velocity matching can be fulfilled with appropriate initial electron distribution.

Kinetic interpretation of resonance phenomena in low pressure capacitively coupled radio frequency plasmas

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

Wilczek, Sebastian; Trieschmann, Jan; Eremin, Denis

Low pressure capacitive radio frequency (RF) plasmas are often described by equivalent circuit models based on fluid approaches that predict the self-excitation of resonances, e.g., high frequency oscillations of the total current in asymmetric discharges, but do not provide a kinetic interpretation of these effects. In fact, they leave important questions open: How is current continuity ensured in the presence of energetic electron beams generated by the expanding sheaths that lead to a local enhancement of the conduction current propagating through the bulk? How do the beam electrons interact with cold bulk electrons? What is the kinetic origin of resonancemore » phenomena? Based on kinetic simulations, we find that the energetic beam electrons interact with cold bulk electrons (modulated on a timescale of the inverse local electron plasma frequency) via a time dependent electric field outside the sheaths. This electric field is caused by the electron beam itself, which leaves behind a positive space charge, that attracts cold bulk electrons towards the expanding sheath. The resulting displacement current ensures current continuity by locally compensating the enhancement of the conduction current. The backflow of cold electrons and their interaction with the nonlinear plasma sheath cause the generation of multiple electron beams during one phase of sheath expansion and contribute to a strongly non-sinusoidal RF current. These kinetic mechanisms are the basis for a fundamental understanding of the electron power absorption dynamics and resonance phenomena in such plasmas, which are found to occur in discharges of different symmetries including perfectly symmetric plasmas.« less

Electronic-property dependent interactions between tetracycline and graphene nanomaterials in aqueous solution.

PubMed

He, Lin; Liu, Fei-Fei; Zhao, Mengyao; Qi, Zhen; Sun, Xuefei; Afzal, Muhammad Zaheer; Sun, Xiaomin; Li, Yanhui; Hao, Jingcheng; Wang, Shuguang

2018-04-01

Understanding the interactions between graphene nanomaterials (GNMs) and antibiotics in aqueous solution is critical to both the engineering applications of GNMs and the assessment of their potential impact on the fate and transport of antibiotics in the aquatic environment. In this study, adsorption of one common antibiotic, tetracycline, by graphene oxide (GO) and reduced graphene oxide (RGO) was examined with multi-walled carbon nanotubes (MWCNTs) and graphite as comparison. The results showed that the tetracycline adsorption capacity by the four selected carbonaceous materials on the unit mass basis followed an order of GO>RGO>MWCNTs>graphite. Upon normalization by surface area, graphite, RGO and MWCNTs had almost the same high tetracycline adsorption affinity while GO exhibited the lowest. We proposed π-electron-property dependent interaction mechanisms to explain the observed different adsorption behaviors. Density functional theory (DFT) calculations suggested that the oxygen-containing functional groups on GO surface reduced its π-electron-donating ability, and thus decreased the π-based interactions between tetracycline and GO surface. Comparison of adsorption efficiency at different pH indicated that electrostatic interaction also played an important role in tetracycline-GO interactions. Site energy analysis confirmed a highly heterogeneous distribution of the binding sites and strong tetracycline binding affinity of GO surface. Copyright © 2017. Published by Elsevier B.V.

Metallic hydrogen with a strong electron-phonon interaction at a pressure of 300-500 GPa

NASA Astrophysics Data System (ADS)

Degtyarenko, N. N.; Mazur, E. A.; Grishakov, K. S.

2017-08-01

Atomic metallic hydrogen with a lattice with FDDD symmetry is shown to have a stable phase under hydrostatic compression pressure in the range of 350-500 GPа. The resulting structure has a stable spectrum regarding the collapse of the phonons. Ab-unitio simulation method has been used to calculate the structural, electronic, phononic and other characteristics of the normal metallic phase of the hydrogen at a pressure of 350-500 GPA.

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures

PubMed Central

Deng, Tianqi; Su, Haibin

2015-01-01

We develop an orbital-dependent potential to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials. The modulated orbital-dependent potentials are also constructed with non-local screening, multi-layer screening, and finite gap due to the coupling with substrates. We apply the excitonic Hamiltonian in coordinate-space with developed effective electron-hole interacting potentials to compute excitons’ binding strength at M (π band) and Γ (σ band) points in graphene and its associated multi-layer forms. The orbital-dependent potential provides a range-separated property for regulating both long- and short-range interactions. This accounts for the existence of the resonant π exciton in single- and bi-layer graphenes. The remarkable strong electron-hole interaction in σ orbitals plays a decisive role in the existence of σ exciton in graphene stack at room temperature. The interplay between gap-opening and screening from substrates shed a light on the weak dependence of σ exciton binding energy on the thickness of graphene stacks. Moreover, the analysis of non-hydrogenic exciton spectrum in quasi-2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process. The understanding of orbital-dependent potential developed in this work is potentially applicable for a wide range of materials with low dimension. PMID:26610715

Photoinduced currents in metal-barrier-metal junctions

NASA Technical Reports Server (NTRS)

Guedes, M. P.; Gustafson, T. K.; Heiblum, M.; Siu, D. P.; Slayman, C. W.; Whinnery, J. R.; Yasuoka, Y.

1978-01-01

The fabrication and application of metal-barrier-metal tunneling junctions for radiative interactions are discussed. Particular attention is given to the photolithographic fabrication of small area devices and the coupling to such devices via surface plasmon waves which play an important role at infrared and optical frequencies. It has been shown that the junction electron tunneling currents can be strongly coupled to surface plasmon junction modes, and spontaneous and stimulated emission of the latter are possible as well as nonlinear interactions. Finally, results demonstrating the photo-excitation of electrons with subsequent tunneling induced by ultraviolet radiation are presented. It is estimated that quantum efficiencies of the order of 5% and higher are possible in the ultraviolet region.

Topological quantum pump in serpentine-shaped semiconducting narrow channels

NASA Astrophysics Data System (ADS)

Pandey, Sudhakar; Scopigno, Niccoló; Gentile, Paola; Cuoco, Mario; Ortix, Carmine

2018-06-01

We propose and analyze theoretically a one-dimensional solid-state electronic setup that operates as a topological charge pump in the complete absence of superimposed oscillating local voltages. The system consists of a semiconducting narrow channel with a strong Rashba spin-orbit interaction patterned in a mesoscale serpentine shape. A rotating planar magnetic field serves as the external ac perturbation, and cooperates with the Rashba spin-orbit interaction, which is modulated by the geometric curvature of the electronic channel to realize the topological pumping protocol, originally introduced by Thouless, in a different fashion. We expect the precise pumping of electric charges in our mesoscopic quantum device to be relevant for quantum metrology purposes.

Non-quasiparticle states in a half-metallic ferromagnet with antiferromagnetic s-d(f) interaction.

PubMed

Irkhin, V Yu

2015-04-22

Non-quasiparticle (incoherent) states which play an important role in the electronic structure of half-metallic ferromagnets (HMF) are investigated consistently in the case of antiferromagnetic s-d(f) exchange interaction. Their appropriate description in the limit of strong correlations requires a rearrangement of perturbation series in comparison with the usual Dyson equation. This consideration provides a solution of the Kondo problem in the HMF case and can be important for first-principle HMF calculations performed earlier for ferromagnetic s-d(f) interaction.

Potassium-induced effect on structure and chemical activity of Cu xO/Cu(111) (x≤2) surface: A combined scanning tunneling microscopy and density functional theory study

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

Liu, Ping; An, Wei; Stacchiola, Dario

2015-10-16

Potassium (K) plays an essential role in promoting catalytic reaction in many established industrial catalytic processes. Here, we report a combined study using scanning tunneling microscopy (STM) and density functional theory (DFT) in understanding the effect of depositing K on the atomic and electronic structures as well as chemical activities of Cu xO/Cu(111) (x≤2). The DFT calculations observe a pseudomorphic growth of K on Cu xO/Cu(111) up to 0.19 monolayer (ML) of coverage, where K binds the surface via strong ionic interaction with chemisorbed oxygen and the relatively weak electrostatic interactions with copper ions, lower and upper oxygen on themore » Cu xO rings. The simulated STM pattern based on the DFT results agrees well with the experimental observations. The deposited K displays great impact on the surface electronic structure of Cu xO/Cu(111), which induces significant reduction in work function and leads to a strong electron polarization on the surface. The promotion of K on the surface binding properties is selective. It varies depending on the nature of adsorbates. According to our results, K has little effect on surface acidity, while it enhances the surface basicity significantly. As a consequence, the presence of K does not help for CO adsorption on Cu xO/Cu(111), but being able to accelerate the activation of CO 2. Thus, such promotion strongly depends on the combinations from both geometric and electronic effects. Our results highlight the origin of promoting effect of alkalis in the design of catalysts for the complex reactions.« less

Spin-orbit qubit in a semiconductor nanowire.

PubMed

Nadj-Perge, S; Frolov, S M; Bakkers, E P A M; Kouwenhoven, L P

2010-12-23

Motion of electrons can influence their spins through a fundamental effect called spin-orbit interaction. This interaction provides a way to control spins electrically and thus lies at the foundation of spintronics. Even at the level of single electrons, the spin-orbit interaction has proven promising for coherent spin rotations. Here we implement a spin-orbit quantum bit (qubit) in an indium arsenide nanowire, where the spin-orbit interaction is so strong that spin and motion can no longer be separated. In this regime, we realize fast qubit rotations and universal single-qubit control using only electric fields; the qubits are hosted in single-electron quantum dots that are individually addressable. We enhance coherence by dynamically decoupling the qubits from the environment. Nanowires offer various advantages for quantum computing: they can serve as one-dimensional templates for scalable qubit registers, and it is possible to vary the material even during wire growth. Such flexibility can be used to design wires with suppressed decoherence and to push semiconductor qubit fidelities towards error correction levels. Furthermore, electrical dots can be integrated with optical dots in p-n junction nanowires. The coherence times achieved here are sufficient for the conversion of an electronic qubit into a photon, which can serve as a flying qubit for long-distance quantum communication.

Laser-Induced Linear-Field Particle Acceleration in Free Space.

PubMed

Wong, Liang Jie; Hong, Kyung-Han; Carbajo, Sergio; Fallahi, Arya; Piot, Philippe; Soljačić, Marin; Joannopoulos, John D; Kärtner, Franz X; Kaminer, Ido

2017-09-11

Linear-field particle acceleration in free space (which is distinct from geometries like the linac that requires components in the vicinity of the particle) has been studied for over 20 years, and its ability to eventually produce high-quality, high energy multi-particle bunches has remained a subject of great interest. Arguments can certainly be made that linear-field particle acceleration in free space is very doubtful given that first-order electron-photon interactions are forbidden in free space. Nevertheless, we chose to develop an accurate and truly predictive theoretical formalism to explore this remote possibility when intense, few-cycle electromagnetic pulses are used in a computational experiment. The formalism includes exact treatment of Maxwell's equations and exact treatment of the interaction among the multiple individual particles at near and far field. Several surprising results emerge. We find that electrons interacting with intense laser pulses in free space are capable of gaining substantial amounts of energy that scale linearly with the field amplitude. For example, 30 keV electrons (2.5% energy spread) are accelerated to 61 MeV (0.5% spread) and to 205 MeV (0.25% spread) using 250 mJ and 2.5 J lasers respectively. These findings carry important implications for our understanding of ultrafast electron-photon interactions in strong fields.

Electronically non-adiabatic interactions of molecules at metal surfaces

NASA Astrophysics Data System (ADS)

Wodtke, Alec M.; Tully, John C.; Auerbach, Daniel J.

When neutral molecules with low levels of vibrational excitation collide at metal surfaces, vibrational coupling to electron-hole pairs (EHPs) is not thought to be strong unless incidence energies are high. However, there is accumulating evidence that coupling of large-amplitude molecular vibration to metallic electron degrees of freedom can be much stronger even at the lowest accessible incidence energies. As reaching a chemical transition-state also involves large-amplitude vibrational motion, we pose the basic question: are electronically non-adiabatic couplings important at transition states of reactions at metal surfaces? We have indirect evidence in at least one example that the dynamics and rates of chemical reactions at metal surfaces may be strongly influenced by electronically non-adiabatic coupling. This implies that theoretical approaches relying on the Born-Oppenheimer approximation (BOA) may not accurately reflect the nature of transition-state traversal in reactions of catalytic importance. Developing a predictive understanding of surface reactivity beyond the BOA represents one of the most important challenges to current research in physical chemistry. This article reviews the experimental evidence and underlying theoretical framework concerning these and related topics.

Tunable emergent heterostructures in a prototypical correlated metal

NASA Astrophysics Data System (ADS)

Fobes, D. M.; Zhang, S.; Lin, S.-Z.; Das, Pinaki; Ghimire, N. J.; Bauer, E. D.; Thompson, J. D.; Harriger, L. W.; Ehlers, G.; Podlesnyak, A.; Bewley, R. I.; Sazonov, A.; Hutanu, V.; Ronning, F.; Batista, C. D.; Janoschek, M.

2018-05-01

At the interface between two distinct materials, desirable properties, such as superconductivity, can be greatly enhanced1, or entirely new functionalities may emerge2. Similar to in artificially engineered heterostructures, clean functional interfaces alternatively exist in electronically textured bulk materials. Electronic textures emerge spontaneously due to competing atomic-scale interactions3, the control of which would enable a top-down approach for designing tunable intrinsic heterostructures. This is particularly attractive for correlated electron materials, where spontaneous heterostructures strongly affect the interplay between charge and spin degrees of freedom4. Here we report high-resolution neutron spectroscopy on the prototypical strongly correlated metal CeRhIn5, revealing competition between magnetic frustration and easy-axis anisotropy—a well-established mechanism for generating spontaneous superstructures5. Because the observed easy-axis anisotropy is field-induced and anomalously large, it can be controlled efficiently with small magnetic fields. The resulting field-controlled magnetic superstructure is closely tied to the formation of superconducting6 and electronic nematic textures7 in CeRhIn5, suggesting that in situ tunable heterostructures can be realized in correlated electron materials.

Spin-orbit excitations and electronic structure of the putative Kitaev magnet α -RuCl3

NASA Astrophysics Data System (ADS)

Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, K. W.; Kim, Young-June; Kee, Hae-Young; Burch, Kenneth S.

2016-02-01

Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4 d system α -RuCl3 has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations involving localized total angular momentum states of the Ru ion, implying that strong spin-orbit coupling and electron-electron interactions coexist in this material. Analysis of these features allows us to estimate the spin-orbit coupling strength, as well as other parameters describing the local electronic structure, revealing a well-defined hierarchy of energy scales within the Ru d states. By comparing our experimental results with density functional theory calculations, we also clarify the overall features of the optical response. Our results demonstrate that α -RuCl3 is an ideal material system to study spin-orbit coupled magnetism on the honeycomb lattice.

Energy gap states and tunneling currents in semiconducting graphene

NASA Astrophysics Data System (ADS)

Szczesniak, Dominik; Hoehn, Ross; Kais, Sabre

It has been predicted that when graphene is supported on a substrate or doped with foreign atom species, the inherent linear electronic dispersion of its pristine form can be strongly altered. Worthy of special attention is the situation when the interactions between graphene and the substrate or dopants lead to an opening of the finite electronic gap in the fermionic spectrum of this nano-material, and strongly influence its transport and optical properties. Herein, the fundamental electronic transport properties of such perturbed graphene are discussed in the framework of the complex band structure analysis, which not only accounts for the propagating but also the evanescent electronic states. Various scenarios responsible for the band gap opening and manipulation of its characteristics are considered, these considerations may entirely account for the aforementioned perturbations to the pristine graphene. It is shown, that the these perturbations are responsible for inducing gap states which allow electrons to directly tunnel between the conduction and valence bands in perturbed graphene. The resulting tunneling states are analyzed in a comprehensive manner, suggesting their great importance for the transport processes across graphene-based semiconducting nanostructures.

Tunable emergent heterostructures in a prototypical correlated metal

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

Fobes, D. M.; Zhang, S.; Lin, S. -Z.

We report at the interface between two distinct materials, desirable properties, such as superconductivity, can be greatly enhanced1, or entirely new functionalities may emerge. Similar to in artificially engineered heterostructures, clean functional interfaces alternatively exist in electronically textured bulk materials. Electronic textures emerge spontaneously due to competing atomic-scale interactions, the control of which would enable a top-down approach for designing tunable intrinsic heterostructures. This is particularly attractive for correlated electron materials, where spontaneous heterostructures strongly affect the interplay between charge and spin degrees of freedom. Here we report high-resolution neutron spectroscopy on the prototypical strongly correlated metal CeRhIn 5, revealingmore » competition between magnetic frustration and easy-axis anisotropy—a well-established mechanism for generating spontaneous superstructures. Because the observed easy-axis anisotropy is field-induced and anomalously large, it can be controlled efficiently with small magnetic fields. Finally, the resulting field-controlled magnetic superstructure is closely tied to the formation of superconducting and electronic nematic textures in CeRhIn 5, suggesting that in situ tunable heterostructures can be realized in correlated electron materials.« less

Tunable emergent heterostructures in a prototypical correlated metal

DOE PAGES

Fobes, D. M.; Zhang, S.; Lin, S. -Z.; ...

2018-03-26

We report at the interface between two distinct materials, desirable properties, such as superconductivity, can be greatly enhanced1, or entirely new functionalities may emerge. Similar to in artificially engineered heterostructures, clean functional interfaces alternatively exist in electronically textured bulk materials. Electronic textures emerge spontaneously due to competing atomic-scale interactions, the control of which would enable a top-down approach for designing tunable intrinsic heterostructures. This is particularly attractive for correlated electron materials, where spontaneous heterostructures strongly affect the interplay between charge and spin degrees of freedom. Here we report high-resolution neutron spectroscopy on the prototypical strongly correlated metal CeRhIn 5, revealingmore » competition between magnetic frustration and easy-axis anisotropy—a well-established mechanism for generating spontaneous superstructures. Because the observed easy-axis anisotropy is field-induced and anomalously large, it can be controlled efficiently with small magnetic fields. Finally, the resulting field-controlled magnetic superstructure is closely tied to the formation of superconducting and electronic nematic textures in CeRhIn 5, suggesting that in situ tunable heterostructures can be realized in correlated electron materials.« less

High precision hyperfine measurements in Bismuth challenge bound-state strong-field QED

NASA Astrophysics Data System (ADS)

Ullmann, Johannes; Andelkovic, Zoran; Brandau, Carsten; Dax, Andreas; Geithner, Wolfgang; Geppert, Christopher; Gorges, Christian; Hammen, Michael; Hannen, Volker; Kaufmann, Simon; König, Kristian; Litvinov, Yuri A.; Lochmann, Matthias; Maaß, Bernhard; Meisner, Johann; Murböck, Tobias; Sánchez, Rodolfo; Schmidt, Matthias; Schmidt, Stefan; Steck, Markus; Stöhlker, Thomas; Thompson, Richard C.; Trageser, Christian; Vollbrecht, Jonas; Weinheimer, Christian; Nörtershäuser, Wilfried

2017-05-01

Electrons bound in highly charged heavy ions such as hydrogen-like bismuth 209Bi82+ experience electromagnetic fields that are a million times stronger than in light atoms. Measuring the wavelength of light emitted and absorbed by these ions is therefore a sensitive testing ground for quantum electrodynamical (QED) effects and especially the electron-nucleus interaction under such extreme conditions. However, insufficient knowledge of the nuclear structure has prevented a rigorous test of strong-field QED. Here we present a measurement of the so-called specific difference between the hyperfine splittings in hydrogen-like and lithium-like bismuth 209Bi82+,80+ with a precision that is improved by more than an order of magnitude. Even though this quantity is believed to be largely insensitive to nuclear structure and therefore the most decisive test of QED in the strong magnetic field regime, we find a 7-σ discrepancy compared with the theoretical prediction.

High precision hyperfine measurements in Bismuth challenge bound-state strong-field QED.

PubMed

Ullmann, Johannes; Andelkovic, Zoran; Brandau, Carsten; Dax, Andreas; Geithner, Wolfgang; Geppert, Christopher; Gorges, Christian; Hammen, Michael; Hannen, Volker; Kaufmann, Simon; König, Kristian; Litvinov, Yuri A; Lochmann, Matthias; Maaß, Bernhard; Meisner, Johann; Murböck, Tobias; Sánchez, Rodolfo; Schmidt, Matthias; Schmidt, Stefan; Steck, Markus; Stöhlker, Thomas; Thompson, Richard C; Trageser, Christian; Vollbrecht, Jonas; Weinheimer, Christian; Nörtershäuser, Wilfried

2017-05-16

Electrons bound in highly charged heavy ions such as hydrogen-like bismuth 209 Bi 82+ experience electromagnetic fields that are a million times stronger than in light atoms. Measuring the wavelength of light emitted and absorbed by these ions is therefore a sensitive testing ground for quantum electrodynamical (QED) effects and especially the electron-nucleus interaction under such extreme conditions. However, insufficient knowledge of the nuclear structure has prevented a rigorous test of strong-field QED. Here we present a measurement of the so-called specific difference between the hyperfine splittings in hydrogen-like and lithium-like bismuth 209 Bi 82+,80+ with a precision that is improved by more than an order of magnitude. Even though this quantity is believed to be largely insensitive to nuclear structure and therefore the most decisive test of QED in the strong magnetic field regime, we find a 7-σ discrepancy compared with the theoretical prediction.

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd 2Re 2O 7

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

Harter, J. W.; Zhao, Z. Y.; Yan, J. -Q.

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd 2Re 2O 7 using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of themore » multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd 2Re 2O 7 and induces a parity-breaking lattice distortion as a secondary order.« less

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd2Re2O7

NASA Astrophysics Data System (ADS)

Harter, J. W.; Zhao, Z. Y.; Yan, J.-Q.; Mandrus, D. G.; Hsieh, D.

2017-04-01

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd2Re2O7 using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of the multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd2Re2O7 and induces a parity-breaking lattice distortion as a secondary order.

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd 2Re 2O 7

DOE PAGES

Harter, J. W.; Zhao, Z. Y.; Yan, J. -Q.; ...

2017-04-21

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd 2Re 2O 7 using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of themore » multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd 2Re 2O 7 and induces a parity-breaking lattice distortion as a secondary order.« less

Electron-electron correlations in Raman spectra of VO2

NASA Astrophysics Data System (ADS)

Goncharuk, I. N.; Ilinskiy, A. V.; Kvashenkina, O. E.; Shadrin, E. B.

2013-01-01

It has been shown that, in single crystals and films of a strongly correlated material, namely, vanadium dioxide, upon a thermally stimulated phase transition from the low-temperature monoclinic phase to the high-temperature tetragonal phase, the narrow-line Raman spectrum of the insulating (monoclinic) phase transforms into the broad-band Raman spectrum, which contains two peaks at 500 and 5000 cm-1 with widths of 400 and 3500 cm-1, respectively. It has been found that, as the temperature of the monoclinic phase approaches the structural phase transition temperature (340 K), the line profile of soft-mode phonons at a frequency of 149 cm-1 with A g symmetry and the line profile of phonons at a frequency of 201 cm-1 with A g symmetry acquire an asymmetric shape with a Fano antiresonance that is characteristic of the interaction of a single phonon vibration with a continuum of strongly correlated electrons. It has been demonstrated that the thermal transformation of peaks in the Raman spectra of the VO2 metallic phase is in quantitative agreement with the theory of Raman scattering in strongly correlated materials.

New type of quantum criticality in the pyrochlore iridates

DOE PAGES

Savary, Lucile; Moon, Eun -Gook; Balents, Leon

2014-11-13

Magnetic fluctuations and electrons couple in intriguing ways in the vicinity of zero-temperature phase transitions—quantum critical points—in conducting materials. Quantum criticality is implicated in non-Fermi liquid behavior of diverse materials and in the formation of unconventional superconductors. Here, we uncover an entirely new type of quantum critical point describing the onset of antiferromagnetism in a nodal semimetal engendered by the combination of strong spin-orbit coupling and electron correlations, and which is predicted to occur in the iridium oxide pyrochlores. We formulate and solve a field theory for this quantum critical point by renormalization group techniques and show that electrons andmore » antiferromagnetic fluctuations are strongly coupled and that both these excitations are modified in an essential way. This quantum critical point has many novel features, including strong emergent spatial anisotropy, a vital role for Coulomb interactions, and highly unconventional critical exponents. Our theory motivates and informs experiments on pyrochlore iridates and constitutes a singular realistic example of a nontrivial quantum critical point with gapless fermions in three dimensions.« less

Microsolvation of the 5-hydroxyindole cation (5HI+) with nonpolar and quadrupolar ligands: Infrared photodissociation spectra of 5HI+-Ln clusters with L = Ar and N2 (n ≤ 3)

NASA Astrophysics Data System (ADS)

Klyne, Johanna; Dopfer, Otto

2017-07-01

Solvation of biomolecules and their building blocks has a strong influence on their structure and function. Herein we characterize the initial microsolvation of the 5-hydroxyindole cation (5HI+) in its 2A″ ground electronic state with nonpolar and quadrupolar ligands (L = Ar, N2) by infrared photodissociation (IRPD) spectroscopy of cold and mass-selected 5HI+-Ln (n ≤ 3) clusters in a molecular beam and dispersion-corrected density functional theory calculations (B3LYP-D3/aug-cc-pVTZ). The isomer-selective OH and NH stretch frequency shifts (ΔνOH/NH) disentangle the competition between H-bonding to the acidic OH and NH groups and π-stacking to the conjugated bicyclic aromatic π-electron system, the intermolecular interaction strengths, and the cluster growth sequence. For 5HI+-Arn, H-bonding and π-stacking strongly compete, indicating that dispersion forces are important for the interaction of 5HI+ with nonpolar ligands. In contrast, for 5HI+-(N2)n clusters, the H-bonds are much stronger than the π-bonds and largely determine the initial solvation process. In all clusters, the OH…L bonds are stronger than the NH…L bonds followed by the π-bonds. The interaction of 5HI+ with N2 is roughly twice stronger than with Ar, mainly due to the additional quadrupole moment of N2. The nature and strength of the individual interactions are quantified by the noncovalent interaction approach. Comparison of 5HI+-L with the corresponding neutral clusters reveals the strong impact of ionization on the total and relative interaction strengths of the H-bonds and π-bonds. In addition, comparison of 5HI+-L with corresponding clusters of the phenol, indole, and pyrrole radical cations illustrates the effects of substitution of functional groups and the addition of aromatic rings to the various subunits of 5HI on the intermolecular potential.

Theoretical ultra-fast spectroscopy in transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Molina-Sanchez, Alejandro; Sangalli, Davide; Marini, Andrea; Wirtz, Ludger

Semiconducting 2D-materials like the transition metal dichalcogenides (TMDs) MoS2, MoSe2, WS2, WSe2 are promising alternatives to graphene for designing novel opto-electronic devices. The strong spin-orbit interaction along with the breaking of inversion symmetry in single-layer TMDs allow using the valley-index as a new quantum number. The practical use of valley physics depends on the lifetimes of valley-polarized excitons which are affected by scattering at phonons, impurities and by carrier-carrier interactions. The carrier dynamics can be monitored using ultra-fast spectroscopies such as pump-probe experiments. The carrier dynamics is simulated using non-equilibrium Green's function theory in an ab-initio framework. We include carrier relaxation through electron-phonon interaction. We obtain the transient absorption spectra of single-layer TMD and compare our simulations with recent pump-probe experiments

Interaction of Electrons and Electromagnetic Waves in Periodic Structures.

DTIC Science & Technology

1979-02-01

spontaneous and stimulated Cerenkov-Smith-Purcell experiments.shown sche- matically in Fig. 1. Analitical Work A new kind of FEL mechanism based on...from Fig. C-9 for 0 > 0.50 the experimental transmission is much higher than the theoretical prediction . A fact that strongly suggest that the theory is

Observation of High-Harmonic Generation from an Atomically Thin Semiconductor [Observation of High Harmonics from and Atomically Thin Semiconductor

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

Liu, Hanzhe; Li, Yilei; You, Yongsing

We report the observation of nonperturbative high-harmonic generation from monolayer MoS 2. Here, the yield is higher in monolayer compared to a single layer of the bulk, an effect attributed to strong electron-hole interactions in the monolayer.

Observation of High-Harmonic Generation from an Atomically Thin Semiconductor [Observation of High Harmonics from and Atomically Thin Semiconductor

DOE PAGES

Liu, Hanzhe; Li, Yilei; You, Yongsing; ...

2016-01-01

We report the observation of nonperturbative high-harmonic generation from monolayer MoS 2. Here, the yield is higher in monolayer compared to a single layer of the bulk, an effect attributed to strong electron-hole interactions in the monolayer.

Theory of superconductivity and spin excitations in cuprates

NASA Astrophysics Data System (ADS)

Plakida, Nikolay M.

2018-06-01

A microscopic theory of high-temperature superconductivity in strongly correlated systems as cuprates is presented. The two-subband extended Hubbard model is considered where the intersite Coulomb repulsion and electron-phonon interaction are taken into account. The low-energy spin excitations are considered within the t-J model.

Source and seed populations for relativistic electrons: Their roles in radiation belt changes

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

Jaynes, A. N.; Baker, D. N.; Singer, H. J.

Strong enhancements of outer Van Allen belt electrons have been shown to have a clear dependence on solar wind speed and on the duration of southward interplanetary magnetic field. However, individual case study analyses also have demonstrated that many geomagnetic storms produce little in the way of outer belt enhancements and, in fact, may produce substantial losses of relativistic electrons. In this study, focused upon a key period in August–September 2014, we use GOES geostationary orbit electron flux data and Van Allen Probes particle and fields data to study the process of radiation belt electron acceleration. One particular interval, 13–22more » September, initiated by a short-lived geomagnetic storm and characterized by a long period of primarily northward interplanetary magnetic field (IMF), showed strong depletion of relativistic electrons (including an unprecedented observation of long-lasting depletion at geostationary orbit) while an immediately preceding, and another immediately subsequent, storm showed strong radiation belt enhancement. We demonstrate with these data that two distinct electron populations resulting from magnetospheric substorm activity are crucial elements in the ultimate acceleration of highly relativistic electrons in the outer belt: the source population (tens of keV) that give rise to VLF wave growth and the seed population (hundreds of keV) that are, in turn, accelerated through VLF wave interactions to much higher energies. ULF waves may also play a role by either inhibiting or enhancing this process through radial diffusion effects. Furthermore, if any components of the inner magnetospheric accelerator happen to be absent, the relativistic radiation belt enhancement fails to materialize.« less

Source and seed populations for relativistic electrons: Their roles in radiation belt changes

DOE PAGES

Jaynes, A. N.; Baker, D. N.; Singer, H. J.; ...

2015-09-09

Strong enhancements of outer Van Allen belt electrons have been shown to have a clear dependence on solar wind speed and on the duration of southward interplanetary magnetic field. However, individual case study analyses also have demonstrated that many geomagnetic storms produce little in the way of outer belt enhancements and, in fact, may produce substantial losses of relativistic electrons. In this study, focused upon a key period in August–September 2014, we use GOES geostationary orbit electron flux data and Van Allen Probes particle and fields data to study the process of radiation belt electron acceleration. One particular interval, 13–22more » September, initiated by a short-lived geomagnetic storm and characterized by a long period of primarily northward interplanetary magnetic field (IMF), showed strong depletion of relativistic electrons (including an unprecedented observation of long-lasting depletion at geostationary orbit) while an immediately preceding, and another immediately subsequent, storm showed strong radiation belt enhancement. We demonstrate with these data that two distinct electron populations resulting from magnetospheric substorm activity are crucial elements in the ultimate acceleration of highly relativistic electrons in the outer belt: the source population (tens of keV) that give rise to VLF wave growth and the seed population (hundreds of keV) that are, in turn, accelerated through VLF wave interactions to much higher energies. ULF waves may also play a role by either inhibiting or enhancing this process through radial diffusion effects. Furthermore, if any components of the inner magnetospheric accelerator happen to be absent, the relativistic radiation belt enhancement fails to materialize.« less

Orbital and spin dynamics of intraband electrons in quantum rings driven by twisted light.

PubMed

Quinteiro, G F; Tamborenea, P I; Berakdar, J

2011-12-19

We theoretically investigate the effect that twisted light has on the orbital and spin dynamics of electrons in quantum rings possessing sizable Rashba spin-orbit interaction. The system Hamiltonian for such a strongly inhomogeneous light field exhibits terms which induce both spin-conserving and spin-flip processes. We analyze the dynamics in terms of the perturbation introduced by a weak light field on the Rasha electronic states, and describe the effects that the orbital angular momentum as well as the inhomogeneous character of the beam have on the orbital and the spin dynamics.

Interaction of an ion bunch with a plasma slab

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

Krasovitskiy, V. B., E-mail: krasovit@mail.ru; Turikov, V. A.

2016-11-15

Charge neutralization of a short ion bunch passing through a plasma slab is studied by means of numerical simulation. It is shown that a fraction of plasma electrons are trapped by the bunch under the action of the collective charge separation field. The accelerated electrons generated in this process excite beam−plasma instability, thereby violating the trapping conditions. The process of electron trapping is also strongly affected by the high-frequency electric field caused by plasma oscillations at the slab boundaries. It is examined how the degree of charge neutralization depends on the parameters of the bunch and plasma slab.

Tip-induced reduction of the resonant tunneling current on semiconductor surfaces.

PubMed

Jelínek, Pavel; Svec, Martin; Pou, Pablo; Perez, Ruben; Cháb, Vladimír

2008-10-24

We report scanning tunneling microscope measurements showing a substantial decrease of the current, almost to zero, on the Si(111)-(7x7) reconstruction in the near-to-contact region under low bias conditions. First principles simulations for the tip-sample interaction and transport calculations show that this effect is driven by the substantial local modification of the atomic and electronic structure of the surface. The chemical reactivity of the adatom dangling bond states that dominate the electronic density of states close to the Fermi level and their spatial localization result in a strong modification of the electronic current.

Substituent effects on the electronic characteristics of pentacene derivatives for organic electronic devices: dioxolane-substituted pentacene derivatives with triisopropylsilylethynyl functional groups.

PubMed

Griffith, Olga Lobanova; Anthony, John E; Jones, Adolphus G; Shu, Ying; Lichtenberger, Dennis L

2012-08-29

The intramolecular electronic structures and intermolecular electronic interactions of 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS pentacene), 6,14-bis-(triisopropylsilylethynyl)-1,3,9,11-tetraoxa-dicyclopenta[b,m]-pentacene (TP-5 pentacene), and 2,2,10,10-tetraethyl-6,14-bis-(triisopropylsilylethynyl)-1,3,9,11-tetraoxa-dicyclopenta[b,m]pentacene (EtTP-5 pentacene) have been investigated by the combination of gas-phase and solid-phase photoelectron spectroscopy measurements. Further insight has been provided by electrochemical measurements in solution, and the principles that emerge are supported by electronic structure calculations. The measurements show that the energies of electron transfer such as the reorganization energies, ionization energies, charge-injection barriers, polarization energies, and HOMO-LUMO energy gaps are strongly dependent on the particular functionalization of the pentacene core. The ionization energy trends as a function of the substitution observed for molecules in the gas phase are not reproduced in measurements of the molecules in the condensed phase due to polarization effects in the solid. The electronic behavior of these materials is impacted less by the direct substituent electronic effects on the individual molecules than by the indirect consequences of substituent effects on the intermolecular interactions. The ionization energies as a function of film thickness give information on the relative electrical conductivity of the films, and all three molecules show different material behavior. The stronger intermolecular interactions in TP-5 pentacene films lead to better charge transfer properties versus those in TIPS pentacene films, and EtTP-5 pentacene films have very weak intermolecular interactions and the poorest charge transfer properties of these molecules.

n→π* Non-Covalent Interaction is Weak but Strong in Action

NASA Astrophysics Data System (ADS)

Singh, Santosh Kumar; Das, Aloke

2017-06-01

n→π* interaction is a newly discovered non-covalent interaction which involves delocalization of lone pair (n) electrons of an electronegative atom into π* orbital of a carbonyl group or an aromatic ring. It is widely observed in materials, biomolecules (protein, DNA, RNA), amino acids, neurotransmitter and drugs. However, due to its weak strength and counterintuitive nature its existence is debatable. Such weak interactions are often masked by solvent effects in condense phase or physiological conditions thereby, making it difficult to prove the presence of such weak interactions. Therefore, we have used isolated gas phase spectroscopy in combination with quantum chemical calculations to study n→π* interaction in several molecules where, our molecular systems are free from solvent effects or any external forces. Herein I will be discussing two of the molecular systems (phenyl formate and salicin) where, we have observed the significance of n→π* interaction in determining the conformational specificity of the molecules. We have proved the existence of n→π* interaction for the first time through IR spectroscopy by probing the carbonyl stretching frequency of phenyl formate. Our study is further pursued on a drug named salicin where, we have observed that its conformational preferences is ruled by n→π* interaction even though a strong hydrogen bonding interaction is present in the molecule. Our results show that n→π* interaction, in spite of its weak strength, should not be overlooked as it existence can play an important role in governing the structures of molecules like other strong non-covalent interactions do.

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.

Vacuum Bloch-Siegert shift in Landau polaritons with ultra-high cooperativity

NASA Astrophysics Data System (ADS)

Li, Xinwei; Bamba, Motoaki; Zhang, Qi; Fallahi, Saeed; Gardner, Geoff C.; Gao, Weilu; Lou, Minhan; Yoshioka, Katsumasa; Manfra, Michael J.; Kono, Junichiro

2018-06-01

A two-level system resonantly interacting with an a.c. magnetic or electric field constitutes the physical basis of diverse phenomena and technologies. However, Schrödinger's equation for this seemingly simple system can be solved exactly only under the rotating-wave approximation, which neglects the counter-rotating field component. When the a.c. field is sufficiently strong, this approximation fails, leading to a resonance-frequency shift known as the Bloch-Siegert shift. Here, we report the vacuum Bloch-Siegert shift, which is induced by the ultra-strong coupling of matter with the counter-rotating component of the vacuum fluctuation field in a cavity. Specifically, an ultra-high-mobility two-dimensional electron gas inside a high-Q terahertz cavity in a quantizing magnetic field revealed ultra-narrow Landau polaritons, which exhibited a vacuum Bloch-Siegert shift up to 40 GHz. This shift, clearly distinguishable from the photon-field self-interaction effect, represents a unique manifestation of a strong-field phenomenon without a strong field.

Adler Award Lecture: Fermi-Liquid Instabilities in Strongly Correlated f-Electron Materials.^*

NASA Astrophysics Data System (ADS)

Maple, M. Brian

1996-03-01

Strongly correlated f-electron materials are replete with novel electronic states and phenomena ; e. g. , a metallic ``heavy electron'' state with a quasiparticle effective mass of several hundred times the free electron mass, anisotropic superconductivity with an energy gap that may vanish at points or along lines on the Fermi surface, the coexistence of superconductivity and antiferromagnetism over different parts of the Fermi surface, multiple superconducting phases in the hyperspace of chemical composition, temperature, pressure, and magnetic field, and an insulating phase, in so-called ``hybridization gap semiconductors'' or ``Kondo insulators'', with a small energy gap of only a few meV. During the last several years, a new low temperature non-Fermi-liquid (NFL) state has been observed in a new class of strongly correlated f-electron materials which currently consists of certain Ce and U intermetallics into which a nonmagnetic element has been substituted.(M. B. Maple et al./) , J. Low Temp. Phys. 99 , 223 (1995). The Ce and U ions have partially-filled f-electron shells and carry magnetic dipole or electric quadrupole moments which interact with the spins and charges of the conduction electrons and can participate in magnetic or quadrupolar ordering at low temperatures. The physical properties of these materials exhibit weak power law or logarithmic divergences in temperature and suggest the existence of a critical point at T=0 K. Possible origins of the 0 K critical point include an unconventional moment compensation process, such as a multichannel Kondo effect, and fluctuations of the order parameter in the vicinity of a 0 K second order phase transition. In some systems, such as Y_1-xU_xPd 3 and U_1-xTh_xPd _2Al 3 , the NFL characteristics appear to be single ion effects since they persist to low concentrations of f-moments, whereas in other systems, such as CeCu _5.9Au _0.1 , the NFL behavior seems to be associated with interactions between the f-moments. In this talk, we review recent experimental efforts to determine the characteristics, establish the systematics, and develop an understanding of NFL behavior in f-electron materials. \\vspace*3mm ^* Research supported by the U.S. National Science Foundation under Grant No. DMR-94-08835 and the U.S. Department of Energy under Grant No. DE-FG03-86ER45230.

Theoretical study of the dependence of single impurity Anderson model on various parameters within distributional exact diagonalization method

NASA Astrophysics Data System (ADS)

Syaina, L. P.; Majidi, M. A.

2018-04-01

Single impurity Anderson model describes a system consisting of non-interacting conduction electrons coupled with a localized orbital having strongly interacting electrons at a particular site. This model has been proven successful to explain the phenomenon of metal-insulator transition through Anderson localization. Despite the well-understood behaviors of the model, little has been explored theoretically on how the model properties gradually evolve as functions of hybridization parameter, interaction energy, impurity concentration, and temperature. Here, we propose to do a theoretical study on those aspects of a single impurity Anderson model using the distributional exact diagonalization method. We solve the model Hamiltonian by randomly generating sampling distribution of some conducting electron energy levels with various number of occupying electrons. The resulting eigenvalues and eigenstates are then used to define the local single-particle Green function for each sampled electron energy distribution using Lehmann representation. Later, we extract the corresponding self-energy of each distribution, then average over all the distributions and construct the local Green function of the system to calculate the density of states. We repeat this procedure for various values of those controllable parameters, and discuss our results in connection with the criteria of the occurrence of metal-insulator transition in this system.

Dynamical control of electron-phonon interactions with high-frequency light

NASA Astrophysics Data System (ADS)

Dutreix, C.; Katsnelson, M. I.

2017-01-01

This work addresses the one-dimensional problem of Bloch electrons when they are rapidly driven by a homogeneous time-periodic light and linearly coupled to vibrational modes. Starting from a generic time-periodic electron-phonon Hamiltonian, we derive a time-independent effective Hamiltonian that describes the stroboscopic dynamics up to the third order in the high-frequency limit. This yields nonequilibrium corrections to the electron-phonon coupling that are controllable dynamically via the driving strength. This shows in particular that local Holstein interactions in equilibrium are corrected by antisymmetric Peierls interactions out of equilibrium, as well as by phonon-assisted hopping processes that make the dynamical Wannier-Stark localization of Bloch electrons impossible. Subsequently, we revisit the Holstein polaron problem out of equilibrium in terms of effective Green's functions, and specify explicitly how the binding energy and effective mass of the polaron can be controlled dynamically. These tunable properties are reported within the weak- and strong-coupling regimes since both can be visited within the same material when varying the driving strength. This work provides some insight into controllable microscopic mechanisms that may be involved during the multicycle laser irradiations of organic molecular crystals in ultrafast pump-probe experiments, although it should also be suitable for realizations in shaken optical lattices of ultracold atoms.

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2017-02-09

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.

Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces

PubMed Central

2014-01-01

Conspectus The understanding of adsorption and reactions of (large) organic molecules at metal surfaces plays an increasingly important role in modern surface science and technology. Such hybrid inorganic/organic systems (HIOS) are relevant for many applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. Obviously, the predictive modeling and understanding of the structure and stability of such hybrid systems is an essential prerequisite for tuning their electronic properties and functions. At present, density-functional theory (DFT) is the most promising approach to study the structure, stability, and electronic properties of complex systems, because it can be applied to both molecules and solids comprising thousands of atoms. However, state-of-the-art approximations to DFT do not provide a consistent and reliable description for HIOS, which is largely due to two issues: (i) the self-interaction of the electrons with themselves arising from the Hartree term of the total energy that is not fully compensated in approximate exchange-correlation functionals, and (ii) the lack of long-range part of the ubiquitous van der Waals (vdW) interactions. The self-interaction errors sometimes lead to incorrect description of charge transfer and electronic level alignment in HIOS, although for molecules adsorbed on metals these effects will often cancel out in total energy differences. Regarding vdW interactions, several promising vdW-inclusive DFT-based methods have been recently demonstrated to yield remarkable accuracy for intermolecular interactions in the gas phase. However, the majority of these approaches neglect the nonlocal collective electron response in the vdW energy tail, an effect that is particularly strong in condensed phases and at interfaces between different materials. Here we show that the recently developed DFT+vdWsurf method that accurately accounts for the collective electronic response effects enables reliable modeling of structure and stability for a broad class of organic molecules adsorbed on metal surfaces. This method was demonstrated to achieve quantitative accuracy for aromatic hydrocarbons (benzene, naphthalene, anthracene, and diindenoperylene), C60, and sulfur/oxygen-containing molecules (thiophene, NTCDA, and PTCDA) on close-packed and stepped metal surfaces, leading to an overall accuracy of 0.1 Å in adsorption heights and 0.1 eV in binding energies with respect to state-of-the-art experiments. An unexpected finding is that vdW interactions contribute more to the binding of strongly bound molecules on transition-metal surfaces than for molecules physisorbed on coinage metals. The accurate inclusion of vdW interactions also significantly improves tilting angles and adsorption heights for all the studied molecules, and can qualitatively change the potential-energy surface for adsorbed molecules with flexible functional groups. Activation barriers for molecular switches and reaction precursors are modified as well. PMID:24915492

Electron Acceleration and Ionization Production in High-Power Heating Experiments at HAARP

NASA Astrophysics Data System (ADS)

Mishin, E. V.; Pedersen, T.

2012-12-01

Recent ionospheric modification experiments with the 3.6 MW transmitter at the High Frequency Active Auroral Research Program (HAARP) facility in Alaska led to discovery of artificial ionization descending from the nominal interaction altitude in the background F-region ionosphere by ~60-80 km. Artificial ionization production is indicated by significant 427.8 nm emissions from the 1st negative band of N2+ and the appearance of transmitter-induced bottomside traces in ionosonde data during the periods of most intense optical emissions. However, the exact mechanisms producing the artificial plasmas remain to be determined. Yet the only existing theoretical models explain the development of artificial plasma as an ionizing wavefront moving downward due to ionization by electrons accelerated by HF-excited strong Langmuir turbulence (SLT) generated near the plasma resonance, where the pump frequency matches the plasma frequency. However, the observations suggest also the significance of interactions with upper hybrid and electron Bernstein waves near multiples of the electron gyrofrequency. We describe recent observations and discuss suitable acceleration mechanisms.

A model study of tunneling conductance spectra of ferromagnetically ordered manganites

NASA Astrophysics Data System (ADS)

Panda, Saswati; Kar, J. K.; Rout, G. C.

2018-02-01

We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

Final Progress Report

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

Kotov, Valeri

2016-05-29

The research in this program involves theoretical investigations of electronic, optical and mechanical properties of graphene and its derivatives, such as bi-layer graphene, graphene-based van der Waals heterostructures, strained graphene, as well as graphene on various surfaces. One line of research has been development of theoretical models that support graphene’s large array of possible technological applications. For example one of our goals has been the understanding of surface plasmons and spin relaxation mechanisms in graphene, related to novel optoelectronics and spintronics applications. Our current research focus is on understanding the role of correlations in graphene under mechanical deformations, such asmore » strain. The main goal is to describe the mutual interplay between strain and electron-electron interactions which could lead to the formation of novel elec- tronic phases with strongly modified electronic, magnetic and optical properties. This direction of research contributes to deeper understanding of interactions in graphene and related atomically-thin materials - a subject at the forefront of research on graphene and its derivatives.« less

Effect of non-classical current paths in networks of 1-dimensional wires

NASA Astrophysics Data System (ADS)

Echternach, P. M.; Mikhalchuk, A. G.; Bozler, H. M.; Gershenson, M. E.; Bogdanov, A. L.; Nilsson, B.

1996-04-01

At low temperatures, the quantum corrections to the resistance due to weak localization and electron-electron interaction are affected by the shape and topology of samples. We observed these effects in the resistance of 2D percolation networks made from 1D wires and in a series of long 1D wires with regularly spaced side branches. Branches outside the classical current path strongly reduce the quantum corrections to the resistance and these reductions become a measure of the quantum lengths.

Microscopic model of superconductivity in carbon nanotubes.

PubMed

González, J

2002-02-18

We propose the model of a manifold of one-dimensional interacting electron systems to account for the superconductivity observed in ropes of nanotubes. We rely on the strong suppression of single-particle hopping between neighboring nanotubes in a disordered rope and conclude that the tunneling takes place in pairs of electrons, which are formed within each nanotube due to the existence of large superconducting correlations. Our estimate of the transition temperature is consistent with the values that have been measured experimentally in ropes with about 100 metallic nanotubes.

Frequent electronic media communication with friends is associated with higher adolescent substance use.

PubMed

Gommans, Rob; Stevens, Gonneke W J M; Finne, Emily; Cillessen, Antonius H N; Boniel-Nissim, Meyran; ter Bogt, Tom F M

2015-02-01

This study investigated the unique associations between electronic media communication (EMC) with friends and adolescent substance use (tobacco, alcohol, and cannabis), over and beyond the associations of face-to-face (FTF) interactions with friends and the average level of classroom substance use. Drawn from the cross-national 2009/2010 Health Behaviour in School-aged Children (HBSC) study in The Netherlands, 5,642 Dutch adolescents (Mage = 14.29) reported on their substance use, EMC, and FTF interactions. Two-level multilevel analyses (participants nested within classrooms) were run. Electronic media communication was positively associated with adolescent substance use, though significantly more strongly with alcohol (β = 0.15, SEβ = 0.02) than with tobacco (β = 0.05, SEβ = 0.02, t (5,180) = 3.33, p < 0.001) or cannabis use (β = 0.06, SEβ = 0.02, t (5,160) = 2.79, p < 0.01). Further, EMC strengthened several positive associations of FTF interactions and average classroom substance use with adolescent substance use. Electronic media communication was uniquely associated with substance use, predominantly with alcohol use. Thus, adolescents' EMC and other online behaviors should not be left unnoticed in substance use research and prevention programs.

Parametric study of transport beam lines for electron beams accelerated by laser-plasma interaction

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

Scisciò, M.; Antici, P., E-mail: patrizio.antici@polytechnique.edu; INRS-EMT, Université du Québec, 1650 Lionel Boulet, Varennes, Québec J3X 1S2

2016-03-07

In the last decade, laser-plasma acceleration of high-energy electrons has attracted strong attention in different fields. Electrons with maximum energies in the GeV range can be laser-accelerated within a few cm using multi-hundreds terawatt (TW) lasers, yielding to very high beam currents at the source (electron bunches with up to tens-hundreds of pC in a few fs). While initially the challenge was to increase the maximum achievable electron energy, today strong effort is put in the control and usability of these laser-generated beams that still lack of some features in order to be used for applications where currently conventional, radio-frequencymore » (RF) based, electron beam lines represent the most common and efficient solution. Several improvements have been suggested for this purpose, some of them acting directly on the plasma source, some using beam shaping tools located downstream. Concerning the latter, several studies have suggested the use of conventional accelerator magnetic devices (such as quadrupoles and solenoids) as an easy implementable solution when the laser-plasma accelerated beam requires optimization. In this paper, we report on a parametric study related to the transport of electron beams accelerated by laser-plasma interaction, using conventional accelerator elements and tools. We focus on both, high energy electron beams in the GeV range, as produced on petawatt (PW) class laser systems, and on lower energy electron beams in the hundreds of MeV range, as nowadays routinely obtained on commercially available multi-hundred TW laser systems. For both scenarios, our study allows understanding what are the crucial parameters that enable laser-plasma accelerators to compete with conventional ones and allow for a beam transport. We show that suitable working points require a tradeoff-combination between low beam divergence and narrow energy spread.« less

Electron Currents and Heating in the Ion Diffusion Region of Asymmetric Reconnection

NASA Technical Reports Server (NTRS)

Graham, D. B.; Khotyaintsev, Yu. V.; Norgren, C.; Vaivads, A.; Andre, M.; Lindqvist, P. A.; Marklund, G. T.; Ergun, R. E.; Paterson, W. R.; Gershman, D. J.;

High-Frequency Response and Voltage Noise in Magnetic Nanocomposites

NASA Astrophysics Data System (ADS)

Buznikov, N. A.; Iakubov, I. T.; Rakhmanov, A. L.; Kugel, K. I.; Sboychakov, A. O.

We study the noise spectra and high-frequency permeability of inhomogeneous magnetic materials consisting of single-domain magnetic nanoparticles embedded into an insulating matrix. Possible mechanisms of 1/f voltage noise in phase-separated manganites is analyzed. The material is modelled by a system of small ferromagnetic metallic droplets (magnetic polarons or ferrons) in insulating antiferromagnetic or paramagnetic matrix. The electron transport is related to tunnelling of charge carriers between droplets. One of the sources of the 1/f noise in such a system stems from fluctuations of the number of droplets with extra electron. In the case of strong magnetic anisotropy, the 1/f noise can arise also due to the fluctuations of the magnetic moments of ferrons. The high frequency magnetic permeability of nanocomposite film with magnetic particles in insulating non-magnetic matrix is studied in detail. The case of strong magnetic dipole interaction and strong magnetic anisotropy of ferromagnetic granules is considered. The composite is modelled by a cubic regular array of ferromagnetic particles. The high-frequency permeability tensor components are found as a functions of frequency, temperature, ferromagnetic phase content, and magnetic anisotropy. The results demonstrate that magnetic dipole interaction leads to a shift of the resonance frequencies towards higher values, and nanocomposite film could have rather high value of magnetic permeability in the microwave range.

High-Frequency Response and Voltage Noise in Magnetic Nanocomposites

NASA Astrophysics Data System (ADS)

Buznikov, N. A.; Iakubov, I. T.; Rakhmanov, A. L.; Kugel, K. I.; Sboychakov, A. O.

2010-12-01

We study the noise spectra and high-frequency permeability of inhomogeneous magnetic materials consisting of single-domain magnetic nanoparticles embedded into an insulating matrix. Possible mechanisms of 1/f voltage noise in phase-separated manganites is analyzed. The material is modelled by a system of small ferromagnetic metallic droplets (magnetic polarons or ferrons) in insulating antiferromagnetic or paramagnetic matrix. The electron transport is related to tunnelling of charge carriers between droplets. One of the sources of the 1/f noise in such a system stems from fluctuations of the number of droplets with extra electron. In the case of strong magnetic anisotropy, the 1/f noise can arise also due to the fluctuations of the magnetic moments of ferrons. The high frequency magnetic permeability of nanocomposite film with magnetic particles in insulating non-magnetic matrix is studied in detail. The case of strong magnetic dipole interaction and strong magnetic anisotropy of ferromagnetic granules is considered. The composite is modelled by a cubic regular array of ferromagnetic particles. The high-frequency permeability tensor components are found as a functions of frequency, temperature, ferromagnetic phase content, and magnetic anisotropy. The results demonstrate that magnetic dipole interaction leads to a shift of the resonance frequencies towards higher values, and nanocomposite film could have rather high value of magnetic permeability in the microwave range.

Building Complex Kondo Impurities by Manipulating Entangled Spin Chains.

PubMed

Choi, Deung-Jang; Robles, Roberto; Yan, Shichao; Burgess, Jacob A J; Rolf-Pissarczyk, Steffen; Gauyacq, Jean-Pierre; Lorente, Nicolás; Ternes, Markus; Loth, Sebastian

2017-10-11

The creation of molecule-like structures in which magnetic atoms interact controllably is full of potential for the study of complex or strongly correlated systems. Here, we create spin chains in which a strongly correlated Kondo state emerges from magnetic coupling of transition-metal atoms. We build chains up to ten atoms in length by placing Fe and Mn atoms on a Cu 2 N surface with a scanning tunneling microscope. The atoms couple antiferromagnetically via superexchange interaction through the nitrogen atom network of the surface. The emergent Kondo resonance is spatially distributed along the chain. Its strength can be controlled by mixing atoms of different transition metal elements and manipulating their spatial distribution. We show that the Kondo screening of the full chain by the electrons of the nonmagnetic substrate depends on the interatomic entanglement of the spins in the chain, demonstrating the prerequisites to build and probe spatially extended strongly correlated nanostructures.

Strong π-π interaction of porphyrins on (6,5) carbon nanotubes with full surface coverage: Ab-initio calculations

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

Orellana, Walter, E-mail: worellana@unab.cl

2014-07-14

The stability, electronic, and optical properties of (6,5) single-walled carbon nanotubes (CNTs) functionalized with free-base tetraphenylporphyrin (TPP) molecules through π-stacking interactions are studied by ab-initio calculations. The stability and optical response of the CNT-TPP compounds for increasing CNT-surface coverage are investigated. Our results show that four TPP molecules forming a ring around the CNT is the most stable configuration, showing strong binding energies of about 2.5 eV/TPP. However, this binding energy can increase even more after additional molecules assemble side by side along the CNT, favoring the formation of a full single layer of TPP, as experimentally suggested. The strong π-πmore » attractive forces induce molecular distortions that move the TPP higher-occupied molecular orbital levels inside the CNT bandgap, changing the optical response of the TPP molecules stacked on the CNT.« less

Observation of strong Kondo like features and co-tunnelling in superparamagnetic GdCl3 filled 1D nanomagnets

NASA Astrophysics Data System (ADS)

Ncube, S.; Coleman, C.; de Sousa, A. S.; Nie, C.; Lonchambon, P.; Flahaut, E.; Strydom, A.; Bhattacharyya, S.

2018-06-01

Filling of carbon nanotubes has been tailored over years to modify the exceptional properties of the 1-dimensional conductor for magnetic property based applications. Hence, such a system exploits the spin and charge property of the electron, analogous to a quantum conductor coupled to magnetic impurities, which poses an interesting scenario for the study of Kondo physics and related phenomena. We report on the electronic transport properties of MWNTs filled with GdCl3 nanomagnets, which clearly show the co-existence of Kondo correlation and cotunelling within the superparamagnetic limit. The Fermi liquid description of the Kondo effect and the interpolation scheme are fitted to the resistance-temperature dependence yielding the onset of the Kondo scattering temperature and a Kondo temperature for this nanocomposite, respectively. Cotunneling of conduction electrons interfering with a Kondo type interaction has been verified from the exponential decay of the intensity of the fano shaped nonzero bias anomalous conductance peaks, which also show strong resonant features observed only in GdCl3 filled MWNT devices. Hence, these features are explained in terms of magnetic coherence and spin-flip effects along with the competition between the Kondo effect and co-tunneling. This study raises a new possibility of tailoring magnetic interactions for spintronic applications in carbon nanotube systems.

UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters

NASA Astrophysics Data System (ADS)

Kawakami, Takashi; Sano, Shinsuke; Saito, Toru; Sharma, Sandeep; Shoji, Mitsuo; Yamada, Satoru; Takano, Yu; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima, Takahito; Yamaguchi, Kizashi

2017-09-01

Theoretical examinations of the ferromagnetic coupling in the m-phenylene-bis-methylene molecule and its oligomer were carried out. These systems are good candidates for exchange-coupled systems to investigate strong electronic correlations. We studied effective exchange integrals (J), which indicated magnetic coupling between interacting spins in these species. First, theoretical calculations based on a broken-symmetry single-reference procedure, i.e. the UHF, UMP2, UMP4, UCCSD(T) and UB3LYP methods, were carried out with a GAUSSIAN program code under an SR wave function. From these results, the J value by the UHF method was largely positive because of the strong ferromagnetic spin polarisation effect. The J value by the UCCSD(T) and UB3LYP methods improved an overestimation problem by correcting the dynamical electronic correlation. Next, magnetic coupling among these spins was studied using the CAS-based method of the symmetry-adapted multireference methods procedure. Thus, the UNO DMRG CASCI (UNO, unrestricted natural orbital; DMRG, density matrix renormalised group; CASCI, complete active space configuration interaction) method was mainly employed with a combination of ORCA and BLOCK program codes. DMRG CASCI calculations in valence electron counting, which included all orbitals to full valence CI, provided the most reliable result, and support the UB3LYP method for extended systems.

Strong coupling between adenine nucleobases in DNA single strands revealed by circular dichroism using synchrotron radiation

NASA Astrophysics Data System (ADS)

Kadhane, Umesh; Holm, Anne I. S.; Hoffmann, Søren Vrønning; Nielsen, Steen Brøndsted

2008-02-01

Circular dichroism (CD) experiments on DNA single strands (dAn) at the ASTRID synchrotron radiation facility reveal that eight adenine (A) bases electronically couple upon 190nm excitation. After n=8 , the CD signal increases linearly with n with a slope equal to the sum of the coupling terms. Nearest neighbor interactions account for only 24% of the CD signal whereas electronic communication is limited to nearest neighbors for two other exciton bands observed at 218 and 251nm (i.e., dimer excited states). Electronic coupling between bases in DNA is important for nonradiative deexcitation of electronically excited states since the hazardous energy is spread over a larger spatial region.

Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements

NASA Astrophysics Data System (ADS)

Cave, Robert J.; Newton, Marshall D.

1996-01-01

A new method for the calculation of the electronic coupling matrix element for electron transfer processes is introduced and results for several systems are presented. The method can be applied to ground and excited state systems and can be used in cases where several states interact strongly. Within the set of states chosen it is a non-perturbative treatment, and can be implemented using quantities obtained solely in terms of the adiabatic states. Several applications based on quantum chemical calculations are briefly presented. Finally, since quantities for adiabatic states are the only input to the method, it can also be used with purely experimental data to estimate electron transfer matrix elements.

Spin-selective electronic reconstruction in quantum ferromagnets: A view from the spin-asymmetric Hubbard model

NASA Astrophysics Data System (ADS)

Faúndez, J.; Jorge, T. N.; Craco, L.

2018-03-01

Using the tight-binding treatment for the spin-asymmetric Hubbard model we explore the effect of electronic interactions in the ferromagnetic, partially filled Lieb lattice. As a key result we demonstrate the formation of correlation satellites in the minority spin channel. In addition, we consider the role played by transverse-field spin fluctuations in metallic ferromagnets. We quantify the degree of electronic demagnetization, showing that the half-metallic state is rather robust to local spin flips. Not being restricted to the case of a partially filled Lieb lattice, our findings are expected to advance the general understanding of spin-selective electronic reconstruction in strongly correlated quantum ferromagnets.

Electronic properties of GdxBi2-xSe3 single crystals analyzed by Shubnikov-de Haas oscillations

NASA Astrophysics Data System (ADS)

Kim, Soo-Whan; Jung, Myung-Hwa

2018-05-01

Magnetically doped topological insulators have been significantly researched for unlocking the nontrivial topological phases and the resultant potential applications for spintronics. We report the effect of antiferromagnetic order induced by Gd substitution on the electronic properties of GdxBi2-xSe3 single crystals by analyzing the Shubnikov-de Haas oscillations. Antiferromagnetic order of Gd ions affects the 2D surface state in Bi2Se3 and changes the effective mass and lifetime of charge carriers. These observations suggest a strong correlation of 2D surface electrons with the antiferromagnetic ordering, where the itinerant electrons are bound to the Gd ions to mediate the antiferromagnetic interaction.

Strong electron-hole exchange in coherently coupled quantum dots.

PubMed

Fält, Stefan; Atatüre, Mete; Türeci, Hakan E; Zhao, Yong; Badolato, Antonio; Imamoglu, Atac

2008-03-14

We have investigated few-body states in vertically stacked quantum dots. Because of a small interdot tunneling rate, the coupling in our system is in a previously unexplored regime where electron-hole exchange plays a prominent role. By tuning the gate bias, we are able to turn this coupling off and study a complementary regime where total electron spin is a good quantum number. The use of differential transmission allows us to obtain unambiguous signatures of the interplay between electron and hole-spin interactions. Small tunnel coupling also enables us to demonstrate all-optical charge sensing, where a conditional exciton energy shift in one dot identifies the charging state of the coupled partner.

The physics of quantum materials

NASA Astrophysics Data System (ADS)

Keimer, B.; Moore, J. E.

2017-11-01

The physical description of all materials is rooted in quantum mechanics, which describes how atoms bond and electrons interact at a fundamental level. Although these quantum effects can in many cases be approximated by a classical description at the macroscopic level, in recent years there has been growing interest in material systems where quantum effects remain manifest over a wider range of energy and length scales. Such quantum materials include superconductors, graphene, topological insulators, Weyl semimetals, quantum spin liquids, and spin ices. Many of them derive their properties from reduced dimensionality, in particular from confinement of electrons to two-dimensional sheets. Moreover, they tend to be materials in which electrons cannot be considered as independent particles but interact strongly and give rise to collective excitations known as quasiparticles. In all cases, however, quantum-mechanical effects fundamentally alter properties of the material. This Review surveys the electronic properties of quantum materials through the prism of the electron wavefunction, and examines how its entanglement and topology give rise to a rich variety of quantum states and phases; these are less classically describable than conventional ordered states also driven by quantum mechanics, such as ferromagnetism.

Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

NASA Astrophysics Data System (ADS)

Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

2015-03-01

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

Fidelity Study of Superconductivity in Extended Hubbard Models

NASA Astrophysics Data System (ADS)

Plonka, Nachum; Jia, Chunjing; Moritz, Brian; Wang, Yao; Devereaux, Thomas

2015-03-01

The role of strong electronic correlations on unconventional superconductivity remains an important open question. Here, we explore the influence of long-range Coulomb interactions, present in real material systems, through nearest and next-nearest neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing large scale, numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that these extended interactions enhance charge fluctuations with various wave vectors. These suppress superconductivity in general, but in certain parameter regimes superconductivity is sustained. This has implications for tuning extended interactions in real materials.

Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms.

PubMed

Piriz, Sebastián; Fernández-Werner, Luciana; Pardo, Helena; Jasen, Paula; Faccio, Ricardo; Mombrú, Álvaro W

2017-08-16

In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms. To the best of our knowledge, to date, no experimental results concerning the mechanical properties of graphene-derived nanoribbons have been reported in the literature. Simulations indicate that Cl- and F-doped ZGNRs present an equivalent 2-dimensional Young's modulus E 2D , which seems to be higher than those of graphene and H-doped ZGNRs. This is a consequence of the electronic structure of the system, particularly originating from strong interactions between the dopant atoms localized at the edges. The interaction between dopant atoms located at the edges is higher for Cl and lower for F and O atoms. This is the origin of the observed trend, in which E > E > E for all the analyzed ZGNRs.

Growth, characterization and device development in monocrystalline diamond films

NASA Astrophysics Data System (ADS)

Davis, R. F.; Glass, J. T.; Nemanich, R. J.; Bozeman, S. P.; Sowers, A. T.

1995-06-01

Experimental and theoretical studies concerned with interface interactions of diamond with Si, Ni, and Ni3Si substrates have been conducted. Oriented diamond films deposited on (100) Si were characterized by polar Raman, polar x-ray diffraction (XRD), and cross-sectional high resolution transmission electron microscopy (HRTEM). These sutides showed that the diamond(100)/Si(100) interface adopted the 3:2-match arrangement rather than a 45 deg rotation. Extended Hueckel tight-binding (EHTB) electronic structure calculations for a model system revealed that the interface interaction favors the 3:2-match arrangement. Growth on polycrystalline Ni3Si resulted in oriented diamond particles; under the same growth conditions, graphite was formed on the nickel substrate. Our EHTB electronic structure calculations showed that the (111) and (100) surfaces of Ni3Si have a strong preference for diamond nucleation over graphite nucleation, but this was not the case for the (111) and (100) surfaces of Ni.

Observations at mercury encounter by the plasma science experiment on mariner 10.

PubMed

Ogilvie, K W; Scudder, J D; Hartle, R E; Siscoe, G L; Bridge, H S; Lazarus, A J; Asbridge, J R; Bame, S J; Yeates, C M

1974-07-12

A fully developed bow shock and magnetosheath were observed near Mercury, providing unambiguous evidence for a strong interaction between Mercury and the solar wind. Inside the sheath there is a distinct region analogous to the magnetosphere or magnetotail of Earth, populated by electrons with lower density and higher temperature than the electrons observed in the solar wind or magnetosheath. At the time of encounter, conditions were such that a perpendicular shock was observed on the inbound leg and a parallel shock was observed on the outbound leg of the trajectory, and energetic plasma electron events were detected upstream from the outbound shock crossing. The interaction is most likely not atmospheric, but the data clearly indicate that the obstacle to solar wind flow is magnetic, either intrinsic or induced. The particle fluxes and energy spectra showed large variations while the spacecraft was inside the magnetosphere, and these variations could be either spatial or temporal.

Kondo scattering in δ-doped LaTiO3/SrTiO3 interfaces: Renormalization by spin-orbit interactions

NASA Astrophysics Data System (ADS)

Das, Shubhankar; Rastogi, A.; Wu, Lijun; Zheng, Jin-Cheng; Hossain, Z.; Zhu, Yimei; Budhani, R. C.

2014-08-01

We present a study of δ doping at the LaTiO3/SrTiO3 interface with isostructural antiferromagnetic perovskite LaCrO3 that dramatically alters the properties of the two-dimensional electron gas at the interface. The effects include a reduction in sheet-carrier density, prominence of the low-temperature resistivity minimum, enhancement of weak antilocalization below 10 K, and observation of a strong anisotropic magnetoresistance (MR). The positive and negative MR for out-of-plane and in-plane fields, respectively, and the field and temperature dependencies of MR suggest Kondo scattering by localized Ti3+ moments renormalized by spin-orbit interaction at T < 10 K, with the increased δ-layer thickness. Electron-energy-loss spectroscopy and density functional calculations provide convincing evidence of blocking of electron transfer from LTO to STO by the δ layer.

Anomalous ultrafast dynamics of hot plasmonic electrons in nanostructures with hot spots

DOE PAGES

Harutyunyan, Hayk; Martinson, Alex B. F.; Rosenmann, Daniel; ...

2015-08-03

The interaction of light and matter in metallic nanosystems is mediated by the collective oscillation of surface electrons, called plasmons. After excitation, plasmons are absorbed by the metal electrons through inter- and intraband transitions, creating a highly non-thermal distribution of electrons. The electron population then decays through electron-electron interactions, creating a hot electron distribution within a few hundred femtoseconds, followed by a further relaxation via electron-phonon scattering on the timescale of a few pico-seconds. In the spectral domain, hot plasmonic electrons induce changes to the plasmonic resonance of the nanostructure by modifying the dielectric constant of the metal. Here, wemore » report on the observation of anomalously strong changes to the ultrafast temporal and spectral responses of these excited hot plasmonic electrons in hybrid metal/oxide nanostructures as a result of varying the geometry and composition of the nanostructure and the excitation wavelength. In particular, we show a large ultrafast, pulsewidth-limited contribution to the excited electron decay signal in hybrid nanostructures containing hot spots. The intensity of this contribution correlates with the efficiency of the generation of highly excited surface electrons. Using theoretical models, we attribute this effect to the generation of hot plasmonic electrons from hot spots. Finally, we then develop general principles to enhance the generation of energetic electrons through specifically designed plasmonic nanostructures that could be used in applications where hot electron generation is beneficial, such as in solar photocatalysis, photodetectors and nonlinear devices.« less

Anomalous ultrafast dynamics of hot plasmonic electrons in nanostructures with hot spots.

PubMed

Harutyunyan, Hayk; Martinson, Alex B F; Rosenmann, Daniel; Khorashad, Larousse Khosravi; Besteiro, Lucas V; Govorov, Alexander O; Wiederrecht, Gary P

2015-09-01

The interaction of light and matter in metallic nanosystems is mediated by the collective oscillation of surface electrons, called plasmons. After excitation, plasmons are absorbed by the metal electrons through inter- and intraband transitions, creating a highly non-thermal distribution of electrons. The electron population then decays through electron-electron interactions, creating a hot electron distribution within a few hundred femtoseconds, followed by a further relaxation via electron-phonon scattering on the timescale of a few picoseconds. In the spectral domain, hot plasmonic electrons induce changes to the plasmonic resonance of the nanostructure by modifying the dielectric constant of the metal. Here, we report on the observation of anomalously strong changes to the ultrafast temporal and spectral responses of these excited hot plasmonic electrons in hybrid metal/oxide nanostructures as a result of varying the geometry and composition of the nanostructure and the excitation wavelength. In particular, we show a large ultrafast, pulsewidth-limited contribution to the excited electron decay signal in hybrid nanostructures containing hot spots. The intensity of this contribution correlates with the efficiency of the generation of highly excited surface electrons. Using theoretical models, we attribute this effect to the generation of hot plasmonic electrons from hot spots. We then develop general principles to enhance the generation of energetic electrons through specifically designed plasmonic nanostructures that could be used in applications where hot electron generation is beneficial, such as in solar photocatalysis, photodetectors and nonlinear devices.

Structures and Spectroscopic Properties of F-(H2O) n with n = 1-10 Clusters from a Global Search Based On Density Functional Theory.

PubMed

Shi, Ruili; Wang, Pengju; Tang, Lingli; Huang, Xiaoming; Chen, Yonggang; Su, Yan; Zhao, Jijun

2018-04-05

Using a genetic algorithm incorporated in density functional theory, we explore the ground state structures of fluoride anion-water clusters F - (H 2 O) n with n = 1-10. The F - (H 2 O) n clusters prefer structures in which the F - anion remains at the surface of the structure and coordinates with four water molecules, as the F - (H 2 O) n clusters have strong F - -H 2 O interactions as well as strong hydrogen bonds between H 2 O molecules. The strong interaction between the F - anion and adjacent H 2 O molecule leads to a longer O-H distance in the adjacent molecule than in an individual water molecule. The simulated infrared (IR) spectra of the F - (H 2 O) 1-5 clusters obtained via second-order vibrational perturbation theory (VPT2) and including anharmonic effects reproduce the experimental results quite well. The strong interaction between the F - anion and water molecules results in a large redshift (600-2300 cm -1 ) of the adjacent O-H stretching mode. Natural bond orbital (NBO) analysis of the lowest-energy structures of the F - (H 2 O) 1-10 clusters illustrates that charge transfer from the lone pair electron orbital of F - to the antibonding orbital of the adjacent O-H is mainly responsible for the strong interaction between the F - anion and water molecules, which leads to distinctly different geometric and vibrational properties compared with neutral water clusters.

Quantum-mechanical parameters for the risk assessment of multi-walled carbon-nanotubes: A study using adsorption of probe compounds and its application to biomolecules.

PubMed

Chayawan; Vikas

2016-11-01

This work forwards new insights into the risk-assessment of multi-walled carbon-nanotubes (MWCNTs) while analysing the role of quantum-mechanical interactions between the electrons in the adsorption of probe compounds and biomolecules by MWCNTs. For this, the quantitative models are developed using quantum-chemical descriptors and their electron-correlation contribution. The major quantum-chemical factors contributing to the adsorption are found to be mean polarizability, electron-correlation energy, and electron-correlation contribution to the absolute electronegativity and LUMO energy. The proposed models, based on only three quantum-chemical factors, are found to be even more robust and predictive than the previously known five or four factors based linear free-energy and solvation-energy relationships. The proposed models are employed to predict the adsorption of biomolecules including steroid hormones and DNA bases. The steroid hormones are predicted to be strongly adsorbed by the MWCNTs, with the order: hydrocortisone > aldosterone > progesterone > ethinyl-oestradiol > testosterone > oestradiol, whereas the DNA bases are found to be relatively less adsorbed but follow the order as: guanine > adenine > thymine > cytosine > uracil. Besides these, the developed electron-correlation based models predict several insecticides, pesticides, herbicides, fungicides, plasticizers and antimicrobial agents in cosmetics, to be strongly adsorbed by the carbon-nanotubes. The present study proposes that the instantaneous inter-electronic interactions may be quite significant in various physico-chemical processes involving MWCNTs, and can be used as a reliable predictor for their risk assessment. Copyright © 2016 Elsevier Ltd. All rights reserved.

Emergent quasicrystals in strongly correlated systems

NASA Astrophysics Data System (ADS)

Sagi, Eran; Nussinov, Zohar

2016-07-01

Commensurability is of paramount importance in numerous strongly interacting electronic systems. In the fractional quantum Hall effect, a rich cascade of increasingly narrow plateaux appear at larger denominator filling fractions. Rich commensurate structures also emerge, at certain filling fractions, in high temperature superconductors and other electronic systems. A natural question concerns the character of these and other electronic systems at irrational filling fractions. Here we demonstrate that quasicrystalline structures naturally emerge in these situations, and trigger behaviors not typically expected of periodic systems. We first show that irrationally filled quantum Hall systems cross over into quasiperiodically ordered configuration in the thin-torus limit. Using known properties of quasicrystals, we argue that these states are unstable against the effects of disorder, in agreement with the existence of quantum Hall plateaux. We then study analogous physical situations in a system of cold Rydberg atoms placed on an optical lattice. Such an experimental setup is generally disorder free, and can therefore be used to detect the emergent quasicrystals we predict. We discuss similar situations in the Falicov-Kimball model, where known exact results can be used to establish quasicrystalline structures in one and two dimensions. We briefly speculate on possible relations between our theoretical findings and the existence of glassy dynamics and other features of strongly correlated electronic systems.

Enhanced photocatalytic H2-production activity of C-dots modified g-C3N4/TiO2 nanosheets composites.

PubMed

Li, Yang; Feng, Xionghan; Lu, Zhexue; Yin, Hui; Liu, Fan; Xiang, Quanjun

2018-03-01

As a new carbon-based material, carbon dots (C-dots) have got widely preference because of its excellent electronic transfer capability. In this work, a novel ternary layered C-dots/g-C 3 N 4 /TiO 2 nanosheets (CGT) composite photocatalysts were prepared by impregnation precipitation methods. The optimal ternary CGT composite samples revealed high photocatalytic hydrogen evolution rate in triethanolamine aqueous solutions, which exceeded the rate of the optimal g-C 3 N 4 /TiO 2 composite sample by a factor of 5 times. The improved photocatalytic activity is owed to the positive effects of C-dots and layered heterojunction structure of TiO 2 nanosheets and g-C 3 N 4 sheets. C-dots in the CGT composites can serve as electron reservoirs to capture the photo-induced electrons. The well-defined layered heterojunction structure of CGT provides the intimate contact and the strong interaction of anatase TiO 2 nanosheets and g-C 3 N 4 sheets via face-to-face orientation, which restrains the recombination of photogenerated charge carriers, and thus enhances the photocatalytic H 2 -production activity. Electron paramagnetic resonance and transient photocurrent response proved the strong interaction and improved interfacial charge transfer of TiO 2 nanosheets and g-C 3 N 4 sheets, respectively. The mechanism of improving the photocatalytic H 2 -evolution activity was further confirmed by time-resolved fluorescence, electron paramagnetic resonance, transient photocurrent response and electrochemical impedance spectroscopy. Copyright © 2017 Elsevier Inc. All rights reserved.

Generalized Stoner criterion and versatile spin ordering in two-dimensional spin-orbit coupled electron systems

NASA Astrophysics Data System (ADS)

Liu, Weizhe Edward; Chesi, Stefano; Webb, David; Zülicke, U.; Winkler, R.; Joynt, Robert; Culcer, Dimitrie

2017-12-01

Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of materials and has been the subject of considerable ongoing research and controversy. Here we demonstrate that interacting two-dimensional electron systems with strong spin-orbit coupling exhibit a variety of time reversal symmetry breaking phases with unconventional spin alignment. We first prove that a Stoner-type criterion can be formulated for the spin polarization response to an electric field, which predicts that the spin polarization susceptibility diverges at a certain value of the electron-electron interaction strength. The divergence indicates the possibility of unconventional ferromagnetic phases even in the absence of any applied electric or magnetic field. This leads us, in the second part of this work, to study interacting Rashba spin-orbit coupled semiconductors in equilibrium in the Hartree-Fock approximation as a generic minimal model. Using classical Monte Carlo simulations, we construct the complete phase diagram of the system as a function of density and spin-orbit coupling strength. It includes both an out-of-plane spin-polarized phase and in-plane spin-polarized phases with shifted Fermi surfaces and rich spin textures, reminiscent of the Pomeranchuk instability, as well as two different Fermi-liquid phases having one and two Fermi surfaces, respectively, which are separated by a Lifshitz transition. We discuss possibilities for experimental observation and useful application of these novel phases, especially in the context of electric-field-controlled macroscopic spin polarizations.

Amplified spontaneous emission of pyranyliden derivatives in PVK matrix

NASA Astrophysics Data System (ADS)

Vembris, Aivars; Zarinsh, Elmars; Kokars, Valdis

2016-04-01

One of the well-known red light emitting laser dyes is 4-(dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4Hpyran (DCM). Amplified spontaneous emission (ASE) has been widely investigated of DCM molecules or its derivatives in polymer or low molecular weight matrix. The main issue for these molecules is aggregation which limits doping concentration in matrix. Lowest ASE threshold values within concentration range of 2 and 4 wt% were obtained. In this work ASE properties of two original DCM derivatives in poly(N-vinylcarbazole) (PVK) at various concentrations will be discussed. One of the derivatives is the same DCM dye with replaced butyl groups at electron donor part with bulky trytiloxyethyl groups (DWK-1). These groups do not influence electron transitions in the dye but prevent aggregation of the molecules. Second derivative (DWK-2) consists of two equal donor groups with the attached trytiloxyethyl groups. All results were compared with DCM:PVK system. Photoluminescence quantum yield (PLQY) is almost three times larger for DWK-1 concentration up to 20wt% with respect to DCM systems. PLQY was saturated on 0.06 at higher DWK-1 concentrations. Bulky trytiloxyethyl groups prevent aggregation of the molecules thus decreasing interaction between dyes and numbers of non-radiative decays. Red shift of photoluminescence and amplified spontaneous emission at higher concentrations were observed due to the solid state solvation effect. Increases of dye density in matrix with smaller lose in PLQY resulted in low ASE threshold energy. The lowest threshold value was obtained around 29 μJ/cm2 in DWK-1:PVK films.

The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.

PubMed

Park, Sarah S; Hendon, Christopher H; Fielding, Alistair J; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea

2017-03-15

The structure-directing role of the inorganic secondary building unit (SBU) is key for determining the topology of metal-organic frameworks (MOFs). Here we show that organic building units relying on strong π interactions that are energetically competitive with the formation of common inorganic SBUs can also play a role in defining the topology. We demonstrate the importance of the organic SBU in the formation of Mg 2 H 6 (H 3 O)(TTFTB) 3 (MIT-25), a mesoporous MOF with the new ssp topology. A delocalized electronic hole is critical in the stabilization of the TTF triad organic SBUs and exemplifies a design principle for future MOF synthesis.

Dispersive charge transport due to strong charge dipole interactions of cyano-group in the cyano-carbazole based molecular glass

NASA Astrophysics Data System (ADS)

Oh, Dong Keun; Hong, Sung Mok; Lee, Cheol Eui; Kim, B.-S.; Jin, J.-I.

2005-12-01

Using the time of flight (ToF) method, we investigated the bipolar charge transport for two glass-forming molecules containing carbazole and cyano-carbazole moiety. The enhanced electron mobility was observed in the cyano-carbazole compound. From the numerical method based the Laplace formalism, the distribution of hole trapping energy was obtained for the carbazole compound. This result was compared with the exponential distribution extracted from dispersion parameter for the cyano-carbazole material. Considering charge-dipole interactions as a reason for the disordered trapping mechanism, we discussed dispersive charge transport induced by a strong dipolar (i.e. cyano) group by comparing the distributions of hole trapping sites for two compounds.

ARPES Study on the Strongly Correlated Iron Chalcogenides Fe1+ySexTe1-x

NASA Astrophysics Data System (ADS)

Liu, Zhongkai

2014-03-01

The level of electronic correlation has been one of the key questions in understanding the nature of iron-based superconductivity. Using Angle Resolved Photoemission Spectroscopy (ARPES), we systematically investigated the correlation level in the iron chalcogenide family Fe1+ySexTe1-x. For the parent compound Fe1.02Te, we discovered ``peak-dip-hump'' spectra with heavily renormalized quasiparticles in the low temperature antiferromagnetic (AFM) state, characteristic of coherent polarons seen in other correlated materials with complex electronic and lattice interactions. As the temperature (or Se ratio x) increases and Fe1.02SexTe1-x is in the paramagnetic (PM) phase, we observed dissociation behavior of polarons, suggestive of connection between the weakening electron-phonon coupling and AFM. Further increase of x leads to an incoherent to coherent crossover in the electronic structure, indicating a reduction in the electronic correlation as the superconductivity emerges. Furthermore, the reduction of the electronic correlation in Fe1+ySexTe1-x evolves in an orbital-dependent way, where the dxy orbital is influenced most significantly. At the other end of the phase diagram (FeSe) where the single crystal is not stable, we have studied the MBE-grown thin film which also reveals orbital-dependent strong correlation in the electronic structure. Our findings provide a quantitative comprehension on the correlation level and its evolution on the phase diagram of Fe1+ySexTe1-x. We discuss the physical scenarios leading to strong correlations and its connection to superconductivity.

Arsenic interactions with a fullerene-like BN cage in the vacuum and aqueous phase.

PubMed

Beheshtian, Javad; Peyghan, Ali Ahmadi; Bagheri, Zargham

2013-02-01

Adsorption of arsenic ions, As (III and V), on the surface of fullerene-like B(12)N(12) cage has been explored in vacuum and aqueous phase using density functional theory in terms of Gibbs free energies, enthalpies, geometry, and density of state analysis. It was found that these ions can be strongly chemisorbed on the surface of the cluster in both vacuum and aqueous phase, resulting in significant changes in its electronic properties so that the cluster transforms from a semi-insulator to a semiconductor. The solvent significantly affects the geometry parameters and electronic properties of the As/B(12)N(12) complexes and the interaction between components is considerably weaker in the aqueous phase than that in the vacuum.

Self-organized coherent bursts of stimulated Raman scattering and speckle interaction in multi-speckled laser beams

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

Yin, L.; Albright, B. J.; Rose, H. A.

2013-01-15

Nonlinear physics governing the kinetic behavior of stimulated Raman scattering (SRS) in multi-speckled laser beams has been identified in the trapping regime over a wide range of k{lambda}{sub D} values (here k is the wave number of the electron plasma waves and {lambda}{sub D} is the Debye length) in homogeneous and inhomogeneous plasmas. Hot electrons from intense speckles, both forward and side-loss hot electrons produced during SRS daughter electron plasma wave bowing and filamentation, seed and enhance the growth of SRS in neighboring speckles by reducing Landau damping. Trapping-enhanced speckle interaction through transport of hot electrons, backscatter, and sidescatter SRSmore » light waves enable the system of speckles to self-organize and exhibit coherent, sub-ps SRS bursts with more than 100% instantaneous reflectivity, resulting in an SRS transverse coherence width much larger than a speckle width and a SRS spectrum that peaks outside the incident laser cone. SRS reflectivity is found to saturate above a threshold laser intensity at a level of reflectivity that depends on k{lambda}{sub D}: higher k{lambda}{sub D} leads to lower SRS and the reflectivity scales as {approx}(k{lambda}{sub D}){sup -4}. As k{lambda}{sub D} and Landau damping increase, speckle interaction via sidescattered light and side-loss hot electrons decreases and the occurrence of self-organized events becomes infrequent, leading to the reduction of time-averaged SRS reflectivity. It is found that the inclusion of a moderately strong magnetic field in the laser direction can effectively control SRS by suppressing transverse speckle interaction via hot electron transport.« less

Electron Bubbles in Superfluid (3) 3 He-A: Exploring the Quasiparticle-Ion Interaction

NASA Astrophysics Data System (ADS)

Shevtsov, Oleksii; Sauls, J. A.

2017-06-01

When an electron is forced into liquid ^3He, it forms an "electron bubble", a heavy ion with radius, R˜eq 1.5 nm, and mass, M˜eq 100 m_3, where m_3 is the mass of a ^3He atom. These negative ions have proven to be powerful local probes of the physical properties of the host quantum fluid, especially the excitation spectra of the superfluid phases. We recently developed a theory for Bogoliubov quasiparticles scattering off electron bubbles embedded in a chiral superfluid that provides a detailed understanding of the spectrum of Weyl Fermions bound to the negative ion, as well as a theory for the forces on moving electron bubbles in superfluid ^3He-A (Shevtsov and Sauls in Phys Rev B 94:064511, 2016). This theory is shown to provide quantitative agreement with measurements reported by the RIKEN group (Ikegami et al. in Science 341(6141):59, 2013) for the drag force and anomalous Hall effect of moving electron bubbles in superfluid ^3He-A. In this report, we discuss the sensitivity of the forces on the moving ion to the effective interaction between normal-state quasiparticles and the ion. We consider models for the quasiparticle-ion (QP-ion) interaction, including the hard-sphere potential, constrained random-phase-shifts, and interactions with short-range repulsion and intermediate-range attraction. Our results show that the transverse force responsible for the anomalous Hall effect is particularly sensitive to the structure of the QP-ion potential and that strong short-range repulsion, captured by the hard-sphere potential, provides an accurate model for computing the forces acting on the moving electron bubble in superfluid 3He-A.

Low-energy antikaon nucleon and nucleus interaction studies

NASA Astrophysics Data System (ADS)

Marton, Johann; Leannis Collaboration

2011-04-01

The antikaon (K-) interaction on nucleons and nuclei at low energy is neither simple nor well understood. Kaonic hydrogen is a very interesting case where the strong interaction of K- with the proton leads to an energy shift and a broadening of the 1s ground state. These two observables can be precisely studied with x-ray spectroscopy. The behavior at threshold is influenced strongly by the elusive Lambda(1405) resonance. In Europe the DAFNE electron-positron collider at Laboratori Nazionali di Frascati (LNF) provides an unique source of monoenergetic kaons emitted in the Phi meson decay. Recently the experiment SIDDHARTA on kaonic hydrogen and helium isotopes was successfully performed at LNF. A European network LEANNIS with an outreach to J-PARC in Japan was set up which is promoting the research on the antikaon interactions with nucleons and nuclei. This talk will give an overview of LEANNIS research tasks, the present status and an outlook to future perspectives. Financial support by the EU project HadronPhysics2 is gratefully acknowledged.

A glimpse of gluons through deeply virtual compton scattering on the proton

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

Defurne, Maxime; Jimenez-Arguello, A. Marti; Ahmed, Z.

The proton is composed of quarks and gluons, bound by the most elusive mechanism of strong interaction called confinement. In this work, the dynamics of quarks and gluons are investigated using deeply virtual Compton scattering (DVCS): produced by a multi-GeV electron, a highly virtual photon scatters off the proton which subsequently radiates a high energy photon. Similarly to holography, measuring not only the magnitude but also the phase of the DVCS amplitude allows to perform 3D images of the internal structure of the proton. The phase is made accessible through the quantum-mechanical interference of DVCS with the Bethe-Heitler (BH) process,more » in which the final photon is emitted by the electron rather than the proton. Here, we report herein the first full determination of the BH-DVCS interference by exploiting the distinct energy dependences of the DVCS and BH amplitudes. In the high energy regime where the scattering process is expected to occur off a single quark in the proton, these accurate measurements show an intriguing sensitivity to gluons, the carriers of the strong interaction.« less

A glimpse of gluons through deeply virtual compton scattering on the proton

DOE PAGES

Defurne, Maxime; Jimenez-Arguello, A. Marti; Ahmed, Z.; ...

2017-11-10

The proton is composed of quarks and gluons, bound by the most elusive mechanism of strong interaction called confinement. In this work, the dynamics of quarks and gluons are investigated using deeply virtual Compton scattering (DVCS): produced by a multi-GeV electron, a highly virtual photon scatters off the proton which subsequently radiates a high energy photon. Similarly to holography, measuring not only the magnitude but also the phase of the DVCS amplitude allows to perform 3D images of the internal structure of the proton. The phase is made accessible through the quantum-mechanical interference of DVCS with the Bethe-Heitler (BH) process,more » in which the final photon is emitted by the electron rather than the proton. Here, we report herein the first full determination of the BH-DVCS interference by exploiting the distinct energy dependences of the DVCS and BH amplitudes. In the high energy regime where the scattering process is expected to occur off a single quark in the proton, these accurate measurements show an intriguing sensitivity to gluons, the carriers of the strong interaction.« less

Cu doped diamond: Effect of charge state and defect aggregation on spin interactions in a 3d transition metal doped wide band-gap semiconductor

NASA Astrophysics Data System (ADS)

Benecha, E. M.; Lombardi, E. B.

2018-05-01

We present a first principles study of Cu in diamond using DFT+U electronic structure methods, by carefully considering the impact of co-doping, charge state, and Fermi level position on its stability, lattice location, spin states, and electronic properties. We show that the energetic stability and spin states of Cu are strongly dependent on the Fermi level position and the type of diamond co-doping, with Cu being energetically more favorable in n-type or p-type co-doped diamond compared to intrinsic diamond. Since Cu has been predicted to order magnetically in a number of other wide band-gap semiconductors, we have also evaluated this possibility for Cu doped diamond. We show that while Cu exhibits strong spin interactions at specific interatomic separations in diamond, a detailed consideration of the impact of Fermi level position and Cu aggregation precludes magnetic ordering, with Cu forming non-magnetic, antiferromagnetic, or paramagnetic clusters. These results have important implications in the understanding of the properties of transition metal dopants in diamond for device applications.

Electron Fluid Description of Wave-Particle Interactions in Strong Buneman Turbulence

NASA Astrophysics Data System (ADS)

Che, Haihong

2013-10-01

To understand the nature of anomalous resistivity in magnetic reconnection, we investigate turbulence-induced momentum transport and energy dissipation associated with electron heating in Buneman instability. Using 3D particle-in-cell simulations, we find that the macroscopic effects generated by wave-particle interactions can be described by a set of electron fluid equations. These equations show that the energy dissipation and momentum transports in Buneman instability are locally quasi-static but globally non-static and irreversible. Turbulence drag dissipates both the bulk energy of electron streams and the associated magnetic energy. The decrease of magnetic field maintains an inductive electric field that re-accelerates electrons. The net loss of streaming energy is converted into electron heat and increases the electron Boltzmann entropy. The growth of self-sustained Buneman waves satisfies a Bernoulli-like equation which relates the turbulence-induced convective momentum transport and thermal momentum transport. Electron trapping and de-trapping drives local momentum transports, while phase mixing converts convective momentum into thermal momentum.These two local momentum transports sustain the Buneman waves and act as the micro-macro link in the anomalous heating process. This research is supported by the NASA Postdoctoral Program at NASA/GSFC administered by Oak Ridge Associated Universities through a contract with NASA.

Colloquium: Excitons in atomically thin transition metal dichalcogenides

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

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.

Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weakmore » dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. In this article, recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.« less

Colloquium: Excitons in atomically thin transition metal dichalcogenides

DOE PAGES

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.; ...

2018-04-04

Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weakmore » dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. In this article, recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.« less

Colloquium: Excitons in atomically thin transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.; Heinz, Tony F.; Marie, Xavier; Amand, Thierry; Urbaszek, Bernhard

2018-04-01

Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weak dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. Here recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.

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.

Freestanding Triboelectric Nanogenerator Enables Noncontact Motion-Tracking and Positioning.

PubMed

Guo, Huijuan; Jia, Xueting; Liu, Lue; Cao, Xia; Wang, Ning; Wang, Zhong Lin

2018-04-24

Recent development of interactive motion-tracking and positioning technologies is attracting increasing interests in many areas, such as wearable electronics, intelligent electronics, and the internet of things. For example, the so-called somatosensory technology can afford users strong empathy of immersion and realism due to their consistent interaction with the game. Here, we report a noncontact self-powered positioning and motion-tracking system based on a freestanding triboelectric nanogenerator (TENG). The TENG was fabricated by a nanoengineered surface in the contact-separation mode with the use of a free moving human body (hands or feet) as the trigger. The poly(tetrafluoroethylene) (PTFE) arrays based interactive interface can give an output of 222 V from casual human motions. Different from previous works, this device also responses to a small action at certain heights of 0.01-0.11 m from the device with a sensitivity of about 315 V·m -1 , so that the mechanical sensing is possible. Such a distinctive noncontact sensing feature promotes a wide range of potential applications in smart interaction systems.

Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2.

PubMed

Cabral, Benedito J Costa; Rivelino, Roberto; Coutinho, Kaline; Canuto, Sylvio

2015-07-02

The structure and dynamics of p-nitroaniline (PNA) in supercritical CO2 (scCO2) at T = 315 K and ρ = 0.81 g cm(-3) are investigated by carrying out Born-Oppenheimer molecular dynamics, and the electronic absorption spectrum in scCO2 is determined by time dependent density functional theory. The structure of the PNA-scCO2 solution illustrates the role played by Lewis acid-base (LA-LB) interactions. In comparison with isolated PNA, the ν(N-O) symmetric and asymmetric stretching modes of PNA in scCO2 are red-shifted by -17 and -29 cm(-1), respectively. The maximum of the charge transfer (CT) absorption band of PNA in scSCO2 is at 3.9 eV, and the predicted red-shift of the π → π* electronic transition relative to the isolated gas-phase PNA molecule reproduces the experimental value of -0.35 eV. An analysis of the relationship between geometry distortions and excitation energies of PNA in scCO2 shows that the π → π* CT transition is very sensitive to changes of the N-O bond distance, strongly indicating a correlation between vibrational and electronic solvatochromism driven by LA-LB interactions. Despite the importance of LA-LB interactions to explain the solvation of PNA in scCO2, the red-shift of the CT band is mainly determined by electrostatic interactions.

A study of accurate exchange-correlation functionals through adiabatic connection

NASA Astrophysics Data System (ADS)

Singh, Rabeet; Harbola, Manoj K.

2017-10-01

A systematic way of improving exchange-correlation energy functionals of density functional theory has been to make them satisfy more and more exact relations. Starting from the initial generalized gradient approximation (GGA) functionals, this has culminated into the recently proposed SCAN (strongly constrained and appropriately normed) functional that satisfies several known constraints and is appropriately normed. The ultimate test for the functionals developed is the accuracy of energy calculated by employing them. In this paper, we test these exchange-correlation functionals—the GGA hybrid functionals B3LYP and PBE0 and the meta-GGA functional SCAN—from a different perspective. We study how accurately these functionals reproduce the exchange-correlation energy when electron-electron interaction is scaled as αVee with α varying between 0 and 1. Our study reveals interesting comparison between these functionals and the associated difference Tc between the interacting and the non-interacting kinetic energy for the same density.

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

Beard, Matthew C; Chen, Xihan; Lu, Haipeng

The exciton binding energy in methylammonium lead iodide (MAPbI3) is about 10 meV, around 1/3 of the available thermal energy (kBT ~ 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,more » 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.« less

The rational design of a Au(I) precursor for focused electron beam induced deposition

PubMed Central

Marashdeh, Ali; Tiesma, Thiadrik; van Velzen, Niels J C; Harder, Sjoerd; Havenith, Remco W A; De Hosson, Jeff T M

2017-01-01

Au(I) complexes are studied as precursors for focused electron beam induced processing (FEBIP). FEBIP is an advanced direct-write technique for nanometer-scale chemical synthesis. The stability and volatility of the complexes are characterized to design an improved precursor for pure Au deposition. Aurophilic interactions are found to play a key role. The short lifetime of ClAuCO in vacuum is explained by strong, destabilizing Au–Au interactions in the solid phase. While aurophilic interactions do not affect the stability of ClAuPMe3, they leave the complex non-volatile. Comparison of crystal structures of ClAuPMe3 and MeAuPMe3 shows that Au–Au interactions are much weaker or partially even absent for the latter structure. This explains its high volatility. However, MeAuPMe3 dissociates unfavorably during FEBIP, making it an unsuitable precursor. The study shows that Me groups reduce aurophilic interactions, compared to Cl groups, which we attribute to electronic rather than steric effects. Therefore we propose MeAuCO as a potential FEBIP precursor. It is expected to have weak Au–Au interactions, making it volatile. It is stable enough to act as a volatile source for Au deposition, being stabilized by 6.5 kcal/mol. Finally, MeAuCO is likely to dissociate in a single step to pure Au. PMID:29354346

The rational design of a Au(I) precursor for focused electron beam induced deposition.

PubMed

Marashdeh, Ali; Tiesma, Thiadrik; van Velzen, Niels J C; Harder, Sjoerd; Havenith, Remco W A; De Hosson, Jeff T M; van Dorp, Willem F

2017-01-01

Au(I) complexes are studied as precursors for focused electron beam induced processing (FEBIP). FEBIP is an advanced direct-write technique for nanometer-scale chemical synthesis. The stability and volatility of the complexes are characterized to design an improved precursor for pure Au deposition. Aurophilic interactions are found to play a key role. The short lifetime of ClAuCO in vacuum is explained by strong, destabilizing Au-Au interactions in the solid phase. While aurophilic interactions do not affect the stability of ClAuPMe 3 , they leave the complex non-volatile. Comparison of crystal structures of ClAuPMe 3 and MeAuPMe 3 shows that Au-Au interactions are much weaker or partially even absent for the latter structure. This explains its high volatility. However, MeAuPMe 3 dissociates unfavorably during FEBIP, making it an unsuitable precursor. The study shows that Me groups reduce aurophilic interactions, compared to Cl groups, which we attribute to electronic rather than steric effects. Therefore we propose MeAuCO as a potential FEBIP precursor. It is expected to have weak Au-Au interactions, making it volatile. It is stable enough to act as a volatile source for Au deposition, being stabilized by 6.5 kcal/mol. Finally, MeAuCO is likely to dissociate in a single step to pure Au.

The strong reactions of Lewis-base noble-metals with vanadium and other acidic transition metals

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

Ebbinghaus, B.B.

1991-05-01

The noble metals often thought of as unreactive solids,react strongly with nearly 40% of the elements in the periodictable: group IIIB-VB transition metals, lanthanides, theactinides, and group IIIA-IVA non-transition metals. These strong reactions arise from increased bonding/electron transfer fromnonbonding electrons d electron pairs on the noble metal tovacant orbitals on V, etc. This effect is a generalized Lewis acid-base interaction. The partial Gibbs energy of V in the noblemetals has been measured as a function of concentration at a temperature near 1000C. Thermodynamics of the intermetallics are determined by ternary oxide equilibria, ternary carbide equilibria, and the high-temperature galvanic cellmore » technique. These experimental methods use equilibrated solid composite mixtures in which grains of V oxides or of V carbides are interspersed with grains of V-NM(noble-metal) alloys. In equilibrium the activity of V in the oxide or the carbide equals the activity in the alloy. Consequently, the thermodynamics available in the literature for the V oxides and V carbides are reviewed. Test runs on the galvanic cell were attempted. The V oxide electrode reacts with CaF[sub 2], ThO[sub 2], YDT(0.85ThO[sub 2]-0.15YO[sub 1.5]), and LDT(0.85ThO[sub 2]- 0.15LaO[sub 1.5]) to interfere with the measured data observed toward the beginning of a galvanic cell experiment are the most accurate. The interaction of vanadium at infinite dilution in the noble-metals was determined.« less

The strong reactions of Lewis-base noble-metals with vanadium and other acidic transition metals

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

Ebbinghaus, Bartley B.

1991-05-01

The noble metals often thought of as unreactive solids,react strongly with nearly 40% of the elements in the periodictable: group IIIB-VB transition metals, lanthanides, theactinides, and group IIIA-IVA non-transition metals. These strong reactions arise from increased bonding/electron transfer fromnonbonding electrons d electron pairs on the noble metal tovacant orbitals on V, etc. This effect is a generalized Lewis acid-base interaction. The partial Gibbs energy of V in the noblemetals has been measured as a function of concentration at a temperature near 1000C. Thermodynamics of the intermetallics are determined by ternary oxide equilibria, ternary carbide equilibria, and the high-temperature galvanic cellmore » technique. These experimental methods use equilibrated solid composite mixtures in which grains of V oxides or of V carbides are interspersed with grains of V-NM(noble-metal) alloys. In equilibrium the activity of V in the oxide or the carbide equals the activity in the alloy. Consequently, the thermodynamics available in the literature for the V oxides and V carbides are reviewed. Test runs on the galvanic cell were attempted. The V oxide electrode reacts with CaF 2, ThO 2, YDT(0.85ThO 2-0.15YO 1.5), and LDT(0.85ThO 2- 0.15LaO 1.5) to interfere with the measured data observed toward the beginning of a galvanic cell experiment are the most accurate. The interaction of vanadium at infinite dilution in the noble-metals was determined.« less

Spin Hall effect and Landau spectrum of Dirac electrons in bismuth

NASA Astrophysics Data System (ADS)

Fuseya, Yuki

2015-03-01

Bismuth has played an important role in solid-state physics. Many key phenomena were first discovered in bismuth, such as diamagnetism, Seebeck, Nernst, Shubnikov-de Haas, and de Haas-van Alphen effects. These phenomena result from particular electronic states of bismuth. The strong spin-orbit interaction (~ 1.5eV) causes strong spin-dependent interband couplings resulting in an anomalous spin magnetic moment. We investigate the spin Hall effect and the angular dependent Landau spectrum of bismuth paying special attention to the effect of the anomalous spin magnetic moment. It is shown that the spin Hall insulator is possible and there is a fundamental relationship between the spin Hall conductivity and orbital diamagnetism in the insulating state of the Dirac electrons. Based on this theoretical finding, the magnitude of spin Hall conductivity is estimated for bismuth by that of orbital susceptibility. The magnitude of spin Hall conductivity turns out to be as large as 104Ω-1 cm-1, which is about 100 times larger than that of Pt. It is also shown that the ratio of the Zeeman splitting to the cyclotron energy, which reflects the effect of crystalline spin-orbit interaction, for holes at the T-point can be larger than 1.0 (the maximum of previous theories) and exhibit strong angular dependence, which gives a possible solution to the long-standing mystery of holes at the T-point. In collaboration with Masao Ogata, Hidetoshi Fukuyama, Zengwei Zhu, Benoît Fauqué, Woun Kang, and Kamran Behnia. Supported by JSPS (KAKENHI 24244053, 25870231, and 13428660).

Electron quantum dynamics in atom-ion interaction

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

Sabzyan, H., E-mail: sabzyan@sci.ui.ac.ir; Jenabi, M. J.

2016-04-07

Electron transfer (ET) process and its dependence on the system parameters are investigated by solving two-dimensional time-dependent Schrödinger equation numerically using split operator technique. Evolution of the electron wavepacket occurs from the one-electron species hydrogen atom to another bare nucleus of charge Z > 1. This evolution is quantified by partitioning the simulation box and defining regional densities belonging to the two nuclei of the system. It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, whichmore » define the potential energy surface governing the electron wavepacket evolution. Also, the initial electronic state of the single-electron atom has critical effect on this evolution and its consequent (partial) electron transfer depending on its spreading extent and orientation with respect to the inter-nuclear axis.« less

Controlling the Electronic Structure of Graphene Using Surface-adsorbate Interactions

DTIC Science & Technology

2015-07-21

substrate via n doping, with or without intercalation, suggests that the graphene-to-substrate interaction could be controlled dynamically. DOI : 10.1103...which form a Dirac cone and are degenerate at the Fermi level [1]. These states change in response to atoms adsorbed on top of graphene (doping) or when...coupling to the substrate is strong. In the case of graphene on metals, the energy of the Dirac cone can change as a result of interfacial doping, or

Calcium oxalate crystal growth modification; investigations with confocal Raman microscopy

NASA Astrophysics Data System (ADS)

McMulkin, Calum J.; Massi, Massimiliano; Jones, Franca

2017-06-01

Confocal Raman Microscopy (CRM) in combination with a photophysical investigation has been employed to give insight into the interaction between calcium oxalate monohydrate (COM) and a series of tetrazole containing crystal growth modifier's (CGM's), in conjunction with characterisation of morphological changes using scanning electron and optical microscopy. The tetrazole CGM's were found to interact by surface adsorption with minimal morphological changes to the COM crystals however, significant interactions via chemisorption were observed; it was discovered that the chemisorption is sufficiently strong for aggregation of the tetrazole species to occur within the crystal during crystallisation.

Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning

NASA Astrophysics Data System (ADS)

Du, Lin; Nguyen, Tam N.; Gilman, Ari; Muniz, André R.; Maroudas, Dimitrios

2017-12-01

We report a systematic analysis of pore-edge interactions in graphene nanoribbons (GNRs) and their outcomes based on first-principles calculations and classical molecular-dynamics simulations. We find a strong attractive interaction between nanopores and GNR edges that drives the pores to migrate toward and coalesce with the GNR edges, which can be exploited to form GNR edge patterns that impact the GNR electronic band structure and tune the GNR band gap. Our analysis introduces a viable physical processing strategy for modifying GNR properties by combining defect engineering and thermal annealing.

Observations of wave-particle interactions in the flux pile-up region of asymmetric reconnection

NASA Astrophysics Data System (ADS)

Argall, M. R.; Paulson, K. W.; Ahmadi, N.; Matsui, H.; Torbert, R. B.; Alm, L.; Le Contel, O.; Khotyaintsev, Y. V.; Wilder, F. D.; Turner, D. L.; Strangeway, R. J.; Schwartz, S. J.; Magnes, W.; Giles, B. L.; Lindqvist, P. A.; Ergun, R.; Mauk, B.; Leonard, T. W.

2017-12-01

Recent observations have shown electron energization to >100keV with simultaneous whistler wave activity in the vicinity of the dayside reconnection site. We investigate one possible mechanism for producing these energetic particles. Counter-streaming electrons from the magnetosphere enter the diffusion region and are scattered to all pitch angles (PAs) by strong field-line curvature. As the electrons flow outward into the exhaust, they remagnetize and are focused toward 90° at mirror points within the flux pile-up region. This effect, combined with heating mechanisms in the EDR, produces a temperature anisotropy, while the weak magnetic field lowers the resonant energy into the bulk energy of the plasma. In the end, whistler waves are produced near 100Hz with a wave normal angle of 20°. Simultaneous with the waves, the Electron Drift Instrument observes particle flux modulations of 0° and 180° PA, 500 eV electrons. Multi-spacecraft analysis and Liouville mapping techniques allow us to determine the parallel wave current, potential, and associated energy dissipation. Bursts of 100keV electrons are observed and may interact with the whistler waves.

Suprathermal electron loss cone distributions in the solar wind: Ulysses observations

NASA Technical Reports Server (NTRS)

Phillips, J. L.; Feldman, W. C.; Gosling, J. T.; Hammond, C. M.; Forsyth, R. J.

1995-01-01

Solar wind suprathermal electron distributions in the solar wind generally carry a field-aligned antisunward heat flux. Within coronal mass ejections and upstream of strong shocks driven by corotating interaction regions (CIRs), counterstreaming electron beams are observed. We present observations by the Ulysses solar wind plasma experiment of a new class of suprathermal electron signatures. At low solar latitudes and heliocentric distances beyond 3.5 AU Ulysses encountered several intervals, ranging in duration from 1 hour to 22 hours, in which the suprathermal distributions included an antisunward field-aligned beam and a return population with a flux dropout typically spanning +/- 60 deg from the sunward field-aligned direction. All events occurred within CIRs, downstream of the forward and reverse shocks or waves bounding the interaction regions. We evaluate the hypothesis that the sunward-moving electrons result from reflection of the antisunward beams at magnetic field compressions downstream from the observations, with wide loss cones caused by the relatively weak compression ratio. This hypothesis requires that field magnitude within the CIRs actually increase with increasing field-aligned distance from the Sun. Details of the electron distributions and ramifications for CIR and shock geometry will be presented.

Electrical control of single hole spins in nanowire quantum dots.

PubMed

Pribiag, V S; Nadj-Perge, S; Frolov, S M; van den Berg, J W G; van Weperen, I; Plissard, S R; Bakkers, E P A M; Kouwenhoven, L P

2013-03-01

The development of viable quantum computation devices will require the ability to preserve the coherence of quantum bits (qubits). Single electron spins in semiconductor quantum dots are a versatile platform for quantum information processing, but controlling decoherence remains a considerable challenge. Hole spins in III-V semiconductors have unique properties, such as a strong spin-orbit interaction and weak coupling to nuclear spins, and therefore, have the potential for enhanced spin control and longer coherence times. A weaker hyperfine interaction has previously been reported in self-assembled quantum dots using quantum optics techniques, but the development of hole-spin-based electronic devices in conventional III-V heterostructures has been limited by fabrication challenges. Here, we show that gate-tunable hole quantum dots can be formed in InSb nanowires and used to demonstrate Pauli spin blockade and electrical control of single hole spins. The devices are fully tunable between hole and electron quantum dots, which allows the hyperfine interaction strengths, g-factors and spin blockade anisotropies to be compared directly in the two regimes.

Laser-Induced Linear-Field Particle Acceleration in Free Space

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

Wong, Liang Jie; Hong, Kyung -Han; Carbajo, Sergio

Linear-field particle acceleration in free space (which is distinct from geometries like the linac that requires components in the vicinity of the particle) has been studied for over 20 years, and its ability to eventually produce high-quality, high energy multi-particle bunches has remained a subject of great interest. Arguments can certainly be made that linear-field particle acceleration in free space is very doubtful given that first-order electron-photon interactions are forbidden in free space. Nevertheless, we chose to develop an accurate and truly predictive theoretical formalism to explore this remote possibility when intense, few-cycle electromagnetic pulses are used in a computationalmore » experiment. The formalism includes exact treatment of Maxwell’s equations and exact treatment of the interaction among the multiple individual particles at near and far field. Several surprising results emerge. We find that electrons interacting with intense laser pulses in free space are capable of gaining substantial amounts of energy that scale linearly with the feld amplitude. For example, 30keV electrons (2.5% energy spread) are accelerated to 61MeV (0.5% spread) and to 205MeV (0.25% spread) using 250 mJ and 2.5J lasers respectively. Furthermore, these findings carry important implications for our understanding of ultrafast electron-photon interactions in strong fields.« less

Laser-Induced Linear-Field Particle Acceleration in Free Space

DOE PAGES

Wong, Liang Jie; Hong, Kyung -Han; Carbajo, Sergio; ...

2017-09-11

Linear-field particle acceleration in free space (which is distinct from geometries like the linac that requires components in the vicinity of the particle) has been studied for over 20 years, and its ability to eventually produce high-quality, high energy multi-particle bunches has remained a subject of great interest. Arguments can certainly be made that linear-field particle acceleration in free space is very doubtful given that first-order electron-photon interactions are forbidden in free space. Nevertheless, we chose to develop an accurate and truly predictive theoretical formalism to explore this remote possibility when intense, few-cycle electromagnetic pulses are used in a computationalmore » experiment. The formalism includes exact treatment of Maxwell’s equations and exact treatment of the interaction among the multiple individual particles at near and far field. Several surprising results emerge. We find that electrons interacting with intense laser pulses in free space are capable of gaining substantial amounts of energy that scale linearly with the feld amplitude. For example, 30keV electrons (2.5% energy spread) are accelerated to 61MeV (0.5% spread) and to 205MeV (0.25% spread) using 250 mJ and 2.5J lasers respectively. Furthermore, these findings carry important implications for our understanding of ultrafast electron-photon interactions in strong fields.« less

Ultrafast electronic relaxation in superheated bismuth

NASA Astrophysics Data System (ADS)

Gamaly, E. G.; Rode, A. V.

2013-01-01

Interaction of moving electrons with vibrating ions in the lattice forms the basis for many physical properties from electrical resistivity and electronic heat capacity to superconductivity. In ultrafast laser interaction with matter the electrons are heated much faster than the electron-ion energy equilibration, leading to a two-temperature state with electron temperature far above that of the lattice. The rate of temperature equilibration is governed by the strength of electron-phonon energy coupling, which is conventionally described by a coupling constant, neglecting the dependence on the electron and lattice temperature. The application of this constant to the observations of fast relaxation rate led to a controversial notion of ‘ultra-fast non-thermal melting’ under extreme electronic excitation. Here we provide theoretical grounds for a strong dependence of the electron-phonon relaxation time on the lattice temperature. We show, by taking proper account of temperature dependence, that the heating and restructuring of the lattice occurs much faster than were predicted on the assumption of a constant, temperature independent energy coupling. We applied the temperature-dependent momentum and energy transfer time to experiments on fs-laser excited bismuth to demonstrate that all the observed ultra-fast transformations of the transient state of bismuth are purely thermal in nature. The developed theory, when applied to ultrafast experiments on bismuth, provides interpretation of the whole variety of transient phase relaxation without the non-thermal melting conjecture.

Quantum Theory of Rare-Earth Magnets

NASA Astrophysics Data System (ADS)

Miyake, Takashi; Akai, Hisazumi

2018-04-01

Strong permanent magnets mainly consist of rare earths (R) and transition metals (T). The main phase of the neodymium magnet, which is the strongest magnet, is Nd2Fe14B. Sm2Fe17N3 is another magnet compound having excellent magnetic properties comparable to those of Nd2Fe14B. Their large saturation magnetization, strong magnetocrystalline anisotropy, and high Curie temperature originate from the interaction between the T-3d electrons and R-4f electrons. This article discusses the magnetism of rare-earth magnet compounds. The basic theory and first-principles calculation approaches for quantitative description of the magnetic properties are presented, together with applications to typical compounds such as Nd2Fe14B, Sm2Fe17N3, and the recently synthesized NdFe12N.

Relevance of the Interaction between the M-Phthalocyanines and Carbon Nanotubes in the Electroactivity toward ORR.

PubMed

González-Gaitán, Carolina; Ruiz-Rosas, Ramiro; Morallón, Emilia; Cazorla-Amorós, Diego

2017-10-31

In this work, the influence of the interaction between the iron and cobalt-phthalocyanines (FePc and CoPc) and carbon nanotubes (CNTs) used as support in the electroactivity toward oxygen reduction reaction (ORR) in alkaline media has been investigated. A series of thermal treatments were performed on these materials in order to modify the interaction between the CNTs and the phthalocyanines. The FePc-based catalysts showed the highest activity, with comparable performance to the state-of-the-art Pt-Vulcan catalyst. A heat treatment at 400 °C improved the activity of FePc-based catalysts, while the use of higher temperatures or oxidative atmosphere rendered the decomposition of the macrocyclic compound and consequently the loss of the electrochemical activity of the complex. CoPc-based catalysts performance was negatively affected for all of the tested treatments. Thermogravimetric analyses demonstrated that the FePc was stabilized when loaded onto CNTs, while CoPc did not show such a feature, pointing to a better interaction of the FePc instead of the CoPc. Interestingly, electrochemical measurements demonstrated an improvement of the electron transfer rate in thermally treated FePc-based catalysts. They also allowed us to assess that only 15% of the iron in the catalyst was available for direct electron transfer. This is the same iron amount that remains on the catalyst after a strong acid washing with concentrated HCl (ca. 0.3 wt %), which is enough to deliver a comparable ORR activity. Durability tests confirmed that the catalysts deactivation occurs at a slower rate in those catalysts where FePc is strongly attached to the CNT surface. Thus, the highest ORR activity seems to be provided by those FePc molecules that are strongly attached to the CNT surface, pointing out the relevance of the interaction between the support and the FePc in these catalysts.

Light-field-driven currents in graphene

NASA Astrophysics Data System (ADS)

Higuchi, Takuya; Heide, Christian; Ullmann, Konrad; Weber, Heiko B.; Hommelhoff, Peter

2017-10-01

The ability to steer electrons using the strong electromagnetic field of light has opened up the possibility of controlling electron dynamics on the sub-femtosecond (less than 10-15 seconds) timescale. In dielectrics and semiconductors, various light-field-driven effects have been explored, including high-harmonic generation, sub-optical-cycle interband population transfer and the non-perturbative change of the transient polarizability. In contrast, much less is known about light-field-driven electron dynamics in narrow-bandgap systems or in conductors, in which screening due to free carriers or light absorption hinders the application of strong optical fields. Graphene is a promising platform with which to achieve light-field-driven control of electrons in a conducting material, because of its broadband and ultrafast optical response, weak screening and high damage threshold. Here we show that a current induced in monolayer graphene by two-cycle laser pulses is sensitive to the electric-field waveform, that is, to the exact shape of the optical carrier field of the pulse, which is controlled by the carrier-envelope phase, with a precision on the attosecond (10-18 seconds) timescale. Such a current, dependent on the carrier-envelope phase, shows a striking reversal of the direction of the current as a function of the driving field amplitude at about two volts per nanometre. This reversal indicates a transition of light-matter interaction from the weak-field (photon-driven) regime to the strong-field (light-field-driven) regime, where the intraband dynamics influence interband transitions. We show that in this strong-field regime the electron dynamics are governed by sub-optical-cycle Landau-Zener-Stückelberg interference, composed of coherent repeated Landau-Zener transitions on the femtosecond timescale. Furthermore, the influence of this sub-optical-cycle interference can be controlled with the laser polarization state. These coherent electron dynamics in graphene take place on a hitherto unexplored timescale, faster than electron-electron scattering (tens of femtoseconds) and electron-phonon scattering (hundreds of femtoseconds). We expect these results to have direct ramifications for band-structure tomography and light-field-driven petahertz electronics.

Light-field-driven currents in graphene.

PubMed

Higuchi, Takuya; Heide, Christian; Ullmann, Konrad; Weber, Heiko B; Hommelhoff, Peter

2017-10-12

The ability to steer electrons using the strong electromagnetic field of light has opened up the possibility of controlling electron dynamics on the sub-femtosecond (less than 10 -15 seconds) timescale. In dielectrics and semiconductors, various light-field-driven effects have been explored, including high-harmonic generation, sub-optical-cycle interband population transfer and the non-perturbative change of the transient polarizability. In contrast, much less is known about light-field-driven electron dynamics in narrow-bandgap systems or in conductors, in which screening due to free carriers or light absorption hinders the application of strong optical fields. Graphene is a promising platform with which to achieve light-field-driven control of electrons in a conducting material, because of its broadband and ultrafast optical response, weak screening and high damage threshold. Here we show that a current induced in monolayer graphene by two-cycle laser pulses is sensitive to the electric-field waveform, that is, to the exact shape of the optical carrier field of the pulse, which is controlled by the carrier-envelope phase, with a precision on the attosecond (10 -18 seconds) timescale. Such a current, dependent on the carrier-envelope phase, shows a striking reversal of the direction of the current as a function of the driving field amplitude at about two volts per nanometre. This reversal indicates a transition of light-matter interaction from the weak-field (photon-driven) regime to the strong-field (light-field-driven) regime, where the intraband dynamics influence interband transitions. We show that in this strong-field regime the electron dynamics are governed by sub-optical-cycle Landau-Zener-Stückelberg interference, composed of coherent repeated Landau-Zener transitions on the femtosecond timescale. Furthermore, the influence of this sub-optical-cycle interference can be controlled with the laser polarization state. These coherent electron dynamics in graphene take place on a hitherto unexplored timescale, faster than electron-electron scattering (tens of femtoseconds) and electron-phonon scattering (hundreds of femtoseconds). We expect these results to have direct ramifications for band-structure tomography and light-field-driven petahertz electronics.

Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function.

PubMed

Panahi, S F K S; Namiranian, Afshin; Soleimani, Maryam; Jamaati, Maryam

2018-02-07

We investigate the electronic transport properties of two types of junction based on single polyaromatic hydrocarbons (PAHs) and PAHs embedded in boron nitride (h-BN) nanoribbons, using nonequilibrium Green's functions (NEGF) and density functional theory (DFT). In the PAH junctions, a Fano resonance line shape at the Fermi energy in the transport feature can be clearly seen. In hybrid junctions, structural asymmetries enable interactions between the electronic states, leading to observation of interface-based transport. Our findings reveal that the interface of PAH/h-BN strongly affects the transport properties of the structures.

Reducing warfarin medication interactions: an interrupted time series evaluation.

PubMed

Feldstein, Adrianne C; Smith, David H; Perrin, Nancy; Yang, Xiuhai; Simon, Steven R; Krall, Michael; Sittig, Dean F; Ditmer, Diane; Platt, Richard; Soumerai, Stephen B

2006-05-08

Computerized decision support reduces medication errors in inpatients, but limited evidence supports its effectiveness in reducing the coprescribing of interacting medications, especially in the outpatient setting. The usefulness of academic detailing to enhance the effectiveness of medication interaction alerts also is uncertain. This study used an interrupted time series design. In a health maintenance organization with an electronic medical record, we evaluated the effectiveness of electronic medical record alerts and group academic detailing to reduce the coprescribing of warfarin and interacting medications. Participants were 239 primary care providers at 15 primary care clinics and 9910 patients taking warfarin. All 15 clinics received electronic medical record alerts for the coprescription of warfarin and 5 interacting medications: acetaminophen, nonsteroidal anti-inflammatory medications, fluconazole, metronidazole, and sulfamethoxazole. Seven clinics were randomly assigned to receive group academic detailing. The primary outcome, the interacting prescription rate (ie, the number of coprescriptions of warfarin-interacting medications per 10 000 warfarin users per month), was analyzed with segmented regression models, controlling for preintervention trends. At baseline, nearly a third of patients had an interacting prescription. Coinciding with the alerts, there was an immediate and continued reduction in the warfarin-interacting medication prescription rate (from 3294.0 to 2804.2), resulting in a 14.9% relative reduction (95% confidence interval, -19.5 to -10.2) at 12 months. Group academic detailing did not enhance alert effectiveness. This study, using a strong and quasi-experimental design in ambulatory care, found that medication interaction alerts modestly reduced the frequency of coprescribing of interacting medications. Additional efforts will be required to further reduce rates of inappropriate prescribing of warfarin with interacting drugs.

Nematic order on the surface of a three-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Lundgren, Rex; Yerzhakov, Hennadii; Maciejko, Joseph

2017-12-01

We study the spontaneous breaking of rotational symmetry in the helical surface state of three-dimensional topological insulators due to strong electron-electron interactions, focusing on time-reversal invariant nematic order. Owing to the strongly spin-orbit coupled nature of the surface state, the nematic order parameter is linear in the electron momentum and necessarily involves the electron spin, in contrast with spin-degenerate nematic Fermi liquids. For a chemical potential at the Dirac point (zero doping), we find a first-order phase transition at zero temperature between isotropic and nematic Dirac semimetals. This extends to a thermal phase transition that changes from first to second order at a finite-temperature tricritical point. At finite doping, we find a transition between isotropic and nematic helical Fermi liquids that is second order even at zero temperature. Focusing on finite doping, we discuss various observable consequences of nematic order, such as anisotropies in transport and the spin susceptibility, the partial breakdown of spin-momentum locking, collective modes and induced spin fluctuations, and non-Fermi-liquid behavior at the quantum critical point and in the nematic phase.

Evolution of the orbitals Dy-4f in the DyB2 compound using the LDA, PBE approximations, and the PBE0 hybrid functional

NASA Astrophysics Data System (ADS)

Rasero Causil, Diego; Ortega López, César; Espitia Rico, Miguel

2018-04-01

Computational calculations of total energy based on density functional theory were used to investigate the structural, electronic, and magnetic properties of the DyB2 compounds in the hexagonal structure. The calculations were carried out by means of the full-potential linearized augmented plane wave (FP-LAPW) method, employing the computational Wien2k package. The local density approximation (LDA) and the generalized gradient approximation (GGA) were used for the electron-electron interactions. Additionally, we used the functional hybrid PBE0 for a better description the electronic and magnetic properties, because the DyB2 compound is a strongly-correlated system. We found that the calculated lattice constant agrees well with the values reported theoretically and experimentally. The density of states (DOS) calculation shows that the compound exhibits a metallic behavior and has magnetic properties, with a total magnetic moment of 5.47 μ0/cell determined mainly by the 4f states of the rare earth elements. The functional PBE0 shows a strong localization of the Dy-4f orbitals.

Electronic energy transfer: Localized operator partitioning of electronic energy in composite quantum systems

NASA Astrophysics Data System (ADS)

Khan, Yaser; Brumer, Paul

2012-11-01

A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of electronic energy transfer in arbitrarily coupled quantum systems. In particular, the decomposition scheme can be applied to molecular components that are strongly interacting (with significant orbital overlap) as well as to isolated fragments. The result defines a consistent electronic energy at all internuclear distances, including the case of separated fragments, and reduces to the well-known Förster and Dexter results in their respective limits. Numerical calculations of coherent energy and charge transfer dynamics in simple model systems are presented and the effect of collisionally induced decoherence is examined.

MAVEN Observations of the Effects of Crustal Magnetic Fields on the Mars Ionosphere

NASA Astrophysics Data System (ADS)

Vogt, M. F.; Flynn, C. L.; Withers, P.; Andersson, L.; Girazian, Z.; Mitchell, D. L.; Xu, S.; Connerney, J. E. P.; Espley, J. R.

2017-12-01

Mars lacks a global intrinsic magnetic field but possesses regions of strong crustal magnetic field that influence the planetary interaction with the solar wind and affect the structure and dynamics of the ionosphere. Since entering Mars orbit in 2014, the MAVEN spacecraft has collected comprehensive measurements of the local plasma and magnetic field properties in the Martian dayside ionosphere. Here we discuss how crustal magnetic fields affect the structure, composition, and electrodynamics of the Martian ionosphere as seen by MAVEN. We present a survey of 17 months of MAVEN LPW measurements of the electron density and temperature in the dayside ionosphere and show that, above 200 km altitude, regions of strong crustal magnetic fields feature cooler electron temperatures and enhanced electron densities compared to regions with little or no crustal magnetic field. We also report on the influence of the magnetic field direction and topology on MAVEN electron density measurements in the southern crustal field areas, particularly in magnetic cusp regions. Finally, we discuss the effects of crustal magnetic fields on plasma boundaries like the ionopause, located at the top of the ionosphere and marked by a sharp and substantial gradient in the electron density.

Nanoparticle Immobilization for Controllable Experiments in Liquid-Cell Transmission Electron Microscopy.

PubMed

Robertson, Alex W; Zhu, Guomin; Mehdi, B Layla; Jacobs, Robert M J; De Yoreo, James; Browning, Nigel D

2018-06-22

We demonstrate that silanization can control the adhesion of nanostructures to the SiN windows compatible with liquid-cell transmission electron microscopy (LC-TEM). Formation of an (3-aminopropyl)triethoxysilane (APTES) self-assembled monolayer on a SiN window, producing a surface decorated with amino groups, permits strong adhesion of Au nanoparticles to the window. Many of these nanoparticles remain static, undergoing minimal translation or rotation during LC-TEM up to high electron beam current densities due to the strong interaction between the APTES amino group and Au. We then use this technique to perform a direct comparative LC-TEM study on the behavior of ligand and nonligand-coated Au nanoparticles in a Au growth solution. While the ligand coated nanoparticles remain consistent even under high electron beam current densities, the naked nanoparticles acted as sites for secondary Au nucleation. These nucleated particles decorated the parent nanoparticle surface, forming consecutive monolayer assemblies of ∼2 nm diameter nanoparticles, which sinter into the parent particle when the electron beam was shut off. This method for facile immobilization of nanostructures for LC-TEM study will permit more sophisticated and controlled in situ experiments into the properties of solid-liquid interfaces in the future.

Enhancement of the superconducting gap by nesting in CaKFe 4 As 4 : A new high temperature superconductor

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

Mou, Daixiang; Kong, Tai; Meier, William R.

We use high resolution angle resolved photoemission spectroscopy and density functional theory with measured crystal structure parameters to study the electronic properties of CaKFe 4As 4. In contrast to the related CaFe 2As 2 compounds, CaKFe 4As 4 has a high T c of 35 K at stochiometric composition. This presents a unique opportunity to study the properties of high temperature superconductivity in the iron arsenides in the absence of doping or substitution. The Fermi surface consists of several hole and electron pockets that have a range of diameters. We find that the values of the superconducting gap are nearlymore » isotropic (within the explored portions of the Brillouin zone), but are significantly different for each of the Fermi surface (FS) sheets. Most importantly, we find that the momentum dependence of the gap magnitude plotted across the entire Brillouin zone displays a strong deviation from the simple cos( k x)cos( k y) functional form of the gap function, proposed by the scenario of Cooper pairing driven by a short range antiferromagnetic exchange interaction. Instead, the maximum value of the gap is observed on FS sheets that are closest to the ideal nesting condition, in contrast to previous observations in other ferropnictides. Finally, these results provide strong support for the multiband character of superconductivity in CaKFe 4As 4, in which Cooper pairing forms on the electron and the hole bands interacting via a dominant interband repulsive interaction, enhanced by band nesting.« less

Enhancement of the superconducting gap by nesting in CaKFe 4 As 4 : A new high temperature superconductor

DOE PAGES

Mou, Daixiang; Kong, Tai; Meier, William R.; ...

2016-12-28

We use high resolution angle resolved photoemission spectroscopy and density functional theory with measured crystal structure parameters to study the electronic properties of CaKFe 4As 4. In contrast to the related CaFe 2As 2 compounds, CaKFe 4As 4 has a high T c of 35 K at stochiometric composition. This presents a unique opportunity to study the properties of high temperature superconductivity in the iron arsenides in the absence of doping or substitution. The Fermi surface consists of several hole and electron pockets that have a range of diameters. We find that the values of the superconducting gap are nearlymore » isotropic (within the explored portions of the Brillouin zone), but are significantly different for each of the Fermi surface (FS) sheets. Most importantly, we find that the momentum dependence of the gap magnitude plotted across the entire Brillouin zone displays a strong deviation from the simple cos( k x)cos( k y) functional form of the gap function, proposed by the scenario of Cooper pairing driven by a short range antiferromagnetic exchange interaction. Instead, the maximum value of the gap is observed on FS sheets that are closest to the ideal nesting condition, in contrast to previous observations in other ferropnictides. Finally, these results provide strong support for the multiband character of superconductivity in CaKFe 4As 4, in which Cooper pairing forms on the electron and the hole bands interacting via a dominant interband repulsive interaction, enhanced by band nesting.« less

Analysis of magic lengths in growth of supported metallic nanowires

NASA Astrophysics Data System (ADS)

Han, Yong

2014-12-01

Metallic nanowires can exhibit fascinating physical properties. These unique properties often originate primarily from the quantum confinement of free electrons in a potential well, while electron-electron interactions do not play a decisive role. A recent experimental study shows that self-assembled Ir nanowires grown on Ge(001) surface have a strong length preference: the nanowire lengths are an integer multiple of 4.8 nm. In this paper, a free-electron-gas model for geometries corresponding to the nanowires is used to analyze the selection of these preferred or magic lengths. The model shows that the inclusion of even numbers of free electrons in an Ir nanowire produces these magic lengths once an electron spillage effect is taken into account. The model also shows that the stability of the nanowire diminishes with its increasing length, and consequently suggests why no long nanowires are observed in experiments. It is also shown that applying generic results for quantum size effects in a nanofilm geometry is not adequate to accurately describe the length selection in the rather different nanowire geometry, where the transverse dimensions are smaller than the electron Fermi wavelength. Finally, monatomic Au chain growth on Ge(001) surface is also analyzed. In contrast to Ir nanowires, the model shows that the stability of an Au chain depends strongly on the extent of electron spillage.

The effect of driven electron-phonon coupling on the electronic conductance of a polar nanowire

NASA Astrophysics Data System (ADS)

Mardaani, Mohammad; Rabani, Hassan; Esmaili, Esmat; Shariati, Ashrafalsadat

2015-08-01

A semi-classical model is proposed to explore the effect of electron-phonon coupling on the coherent electronic transport of a polar chain which is confined between two rigid leads in the presence of an external electric field. To this end, we construct the model by means of Green's function technique within the nearest neighbor tight-binding and harmonic approximations. For a time-periodic electric field, the atomic displacements from the equilibrium positions are obtained precisely. The result is then used to compute the electronic transport properties of the chain within the Peierls-type model. The numerical results indicate that the conductance of the system shows interesting behavior in some special frequencies. For each special frequency, there is an electronic quasi-state in which the scattering of electrons by vibrating atoms reaches maximum. The system electronic conductance decreases dramatically at the strong electron-phonon couplings and low electron energies. In the presence of damping forces, the electron-phonon interaction has a less significant effect on the conductance.

Pentavalent iridium pyrochlore C d2I r2O7 : A prototype material system for competing crystalline field and spin-orbit coupling

NASA Astrophysics Data System (ADS)

Dai, Jianhong; Yin, Yunyu; Wang, Xiao; Shen, Xudong; Liu, Zhehong; Ye, Xubin; Cheng, Jinguang; Jin, Changqing; Zhou, Guanghui; Hu, Zhiwei; Weng, Shihchang; Wan, Xiangang; Long, Youwen

2018-02-01

A new pyrochlore oxide C d2I r2O7 with an I r5 + charge state was prepared by high-pressure techniques. Although strong spin-orbit coupling (SOC) dominates the electronic states in most iridates so that a SOC-Mott state is proposed in S r2Ir O4 in the assumption of an undistorted Ir O6 octahedral crystalline field, the strongly distorted one in the current C d2I r2O7 exhibits a competing interaction with the SOC. Unexpected from a strong SOC limit, C d2I r2O7 deviates from a nonmagnetic and insulating J =0 ground state. It displays short-range ferromagnetic correlations and metallic electrical transport properties. First-principles calculations well reproduce the experimental observation, revealing the large mixture between the jeff=1 /2 and jeff=3 /2 bands near the Fermi surface due to the significant distortion of Ir O6 octahedra. This work sheds light on the critical role of a noncubic crystalline field in electronic properties which has been ignored in past studies of 5 d -electron systems.

Strongly correlated materials.

PubMed

Morosan, Emilia; Natelson, Douglas; Nevidomskyy, Andriy H; Si, Qimiao

2012-09-18

Strongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials such as silicon and aluminum, whose properties are comparatively unaffected by the Coulomb repulsion. Correlated materials often have remarkable properties and transitions between distinct, competing phases with dramatically different electronic and magnetic orders. These rich phenomena are fascinating from the basic science perspective and offer possibilities for technological applications. This article looks at these materials through the lens of research performed at Rice University. Topics examined include: Quantum phase transitions and quantum criticality in "heavy fermion" materials and the iron pnictide high temperature superconductors; computational ab initio methods to examine strongly correlated materials and their interface with analytical theory techniques; layered dichalcogenides as example correlated materials with rich phases (charge density waves, superconductivity, hard ferromagnetism) that may be tuned by composition, pressure, and magnetic field; and nanostructure methods applied to the correlated oxides VO₂ and Fe₃O₄, where metal-insulator transitions can be manipulated by doping at the nanoscale or driving the system out of equilibrium. We conclude with a discussion of the exciting prospects for this class of materials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Wide energy electron precipitations associated with chorus waves; Initial observations from Arase and ground-based observations

NASA Astrophysics Data System (ADS)

Miyoshi, Y.; Kurita, S.; Saito, S.; Shinohara, I.; Kasahara, Y.; Matsuda, S.; Kasaba, Y.; Yagitani, S.; Kojima, H.; Hikishima, M.; Tsuchiya, F.; Kumamoto, A.; Katoh, Y.; Matsuoka, A.; Higashio, N.; Mitani, T.; Takashima, T.; Kasahara, S.; Yokota, S.; Asamura, K.; Kazama, Y.; Wang, S. Y.; Shiokawa, K.; Oyama, S. I.; Ogawa, Y.; Hosokawa, K.; Kataoka, R.; Kero, A.; Hori, T.; Turunen, E. S.; Shoji, M.; Teramoto, M.; Chang, T. F.

2017-12-01

The pulsating aurora is caused by intermittent precipitations of a few - 10s keV electrons, and it is expected that the pitch angle scattering by chorus waves at the magnetosphere is a primary process to cause the pulsating aurora. The Arase satellite that was launched in December, 2016 has obtained comprehensive data sets for plasma/particles and fields/waves. In March and April, 2017, a series of campaign observation focused on the chorus-wave particle interactions from conjugate observations from Arase and ground-based observations, and the pulsating aurora as a manifest of chorus-wave particle ineteractions was the important observation subject. During the campaign observations, good conjugate observations were realized between Arase and ground-based observations in Scandinavia. Associated with the pulsating aurora, the EISCAT VHF incoherent scatter radar at Tromso, Norway observed strong ionization in lower ionosphere. During the period, the Arase satellite observed intense chorus waves near the magnetic equator for a few hours, suggesting that strong pitch angle scattering took place. From the conjugate observations from Arase and ground-based observations, we discuss how chorus waves cause strong precipitation of electrons from plasma sheet and radiation belts.

On the roles of close shell interactions in the structure of acyl-substituted hydrazones: An experimental and theoretical approach

NASA Astrophysics Data System (ADS)

Saeed, Aamer; Ifzan Arshad, M.; Bolte, Michael; Fantoni, Adolfo C.; Delgado Espinoza, Zuly Y.; Erben, Mauricio F.

2016-03-01

The 2-(phenyl-hydrazono)-succinic acid dimethyl ester compound was synthesized by reacting phenylhydrazine with dimethylacetylene dicarboxylate at room temperature and characterized by elemental analysis, infrared, Raman, 1H and 13C NMR spectroscopies and mass spectrometry. Its solid state structure was determined by X-ray diffraction methods. The X-ray structure determination corroborates that the molecule is present in the crystal as the hydrazone tautomer, probably favored by a strong intramolecular N-H···Odbnd C hydrogen bond occurring between the carbonyl (-Cdbnd O) and the hydrazone -Cdbnd N-NH- groups. A substantial fragment of the molecular skeleton is planar due to an extended π-bonding delocalization. The topological analysis of the electron densities (Atom in Molecule, AIM) allows characterization of intramolecular N-H···O interaction, that can be classified as a resonant assisted hydrogen bond (RAHB). Moreover, the Natural Bond Orbital population analysis confirms that a strong hyperconjugative lpO1 → σ*(N2-H) remote interaction between the C2dbnd O1 and N2-H groups takes place. Periodic system electron density and topological analysis have been applied to characterize the intermolecular interactions in the crystal. Weak intermolecular interactions determine the crystal packing, and the prevalence of non-directional dispersive contributions are inferred on topological grounds. The IR spectrum of the crystalline compound was investigated by means of density functional theory calculations carried out with periodic boundary conditions on the crystal, showing excellent agreement between theory and the experiments. The vibrational assignment is complemented with the analysis of the Raman spectrum.

Collisional relaxation of an isotopic, strongly magnetized pure ion plasma and topics in resonant wave-particle interaction of plasmas

NASA Astrophysics Data System (ADS)

Chim, Chi Yung

First in Chapter 2, we discuss the collisional relaxation of a strongly magnetized pure ion plasma that is composed of two species with slightly different masses, but both with singly-ionized atoms. In a limit of high cyclotron frequencies O j, the total cyclotron action Ij for the two species are adiabatic invariants. In a few collisions, maximizing entropy yields a modified Gibbs distribution of the form exp[-H/T ∥-alpha1 I 1-alpha2I2]. Here, H is the total Hamiltonian and alphaj's are related to parallel and perpendicular temperatures through T ⊥j=(1/T∥ +alphaj/Oj) -1. On a longer timescale, the two species share action so that alpha 1 and alpha2 relax to a common value alpha. On an even longer timescale, the total action ceases to be a constant of the motion and alpha relaxes to zero. Next, weak transport produces a low density halo of electrons moving radially outward from the pure electron plasma core, and the m = 1 mode begins to damp algebraically when the halo reaches the wall. The damping rate is proportional to the particle flux through the resonant layer at the wall. Chapter 3 explains analytically the new algebraic damping due to both mobility and diffusion transport. Electrons swept around the resonant "cat's eye" orbits form a dipole (m = 1) density distribution, setting up a field that produces ExB-drift of the core back to the axis, that is, damps the mode. Finally, Chapter 4 provides a simple mechanistic interpretation of the resonant wave-particle interaction of Landau. For the simple case of a Vlasov plasma oscillation, the non-resonant electrons are driven resonantly by the bare electric field from the resonant electrons, and this complex driver field is of a phase to reduce the oscillation amplitude. The wave-particle resonant interaction also occurs in 2D ExB-drift waves, such as a diocotron wave. In this case, the bare electric field from the resonant electrons causes ExB-drift motion back in the core plasma, thus damping the wave.

Elucidation of electronic structure by the analysis of hyperfine interactions: The MnH A 7Π-X 7Sigma + (0,0) band

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

1991-08-01

We present a complete analysis of the hyperfine structure of the MnH A 7Π-X 7Σ+ (0,0) band near 5680 Å, studied with sub-Doppler resolution by intermodulated fluorescence spectroscopy. Magnetic hyperfine interactions involving both the 55Mn (I=5/2) and 1H (I=1/2) nuclear spins are observed as well as 55Mn electric quadrupole effects. The manganese Fermi contact interaction in the X 7Σ+ state is the dominant contributor to the observed hyperfine splittings; the ΔF=0, ΔN=0, ΔJ=±1 matrix elements of this interaction mix the electron spin components of the ground state quite strongly at low N, destroying the ``goodness'' of J as a quantum number and inducing rotationally forbidden, ΔJ=±2 and ±3 transitions. The hyperfine splittings of over 50 rotational transitions covering all 7 spin components of both states were analyzed and fitted by least squares, allowing the accurate determination of 14 different hyperfine parameters. Using single electronic configurations to describe the A 7Π and X 7Σ+ states and Herman-Skillman atomic radial wave functions to represent the molecular orbitals, we calculated a priori values for the 55Mn and 1H hyperfine parameters which agree closely with experiment. We show that the five high-spin coupled Mn 3d electrons do not contribute to the manganese hyperfine structure but are responsible for the observed proton magnetic dipolar couplings. Furthermore, the results suggest that the Mn 3d electrons are not significantly involved in bonding and demonstrate that the molecular hyperfine interactions may be quantitatively understood using simple physical interpretations.

Laser-driven electron acceleration in a plasma channel with an additional electric field

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

Cheng, Li-Hong; Xue, Ju-Kui, E-mail: xuejk@nwnu.edu.cn; Liu, Jie, E-mail: liu-jie@iapcm.ac.cn

2016-05-15

We examine the electron acceleration in a two-dimensional plasma channel under the action of a laser field and an additional static electric field. We propose to design an appropriate additional electric field (its direction and location), in order to launch the electron onto an energetic trajectory. We find that the electron acceleration strongly depends on the coupled effects of the laser polarization, the direction, and location of the additional electric field. The additional electric field affects the electron dynamics by changing the dephasing rate. Particularly, a suitably designed additional electric field leads to a considerable energy gain from the lasermore » pulse after the interaction with the additional electric field. The electron energy gain from the laser with the additional electric field can be much higher than that without the additional electric field. This engineering provides a possible means for producing high energetic electrons.« less

Electronic structure and optical properties of GdNi2Mnx compounds

NASA Astrophysics Data System (ADS)

Knyazev, Yu. V.; Lukoyanov, A. V.; Kuz'min, Yu. I.; Gaviko, V. S.

2018-02-01

The electronic structure and optical properties of GdNi2Mnx compounds (x = 0, 0.4, 0.6) were investigated. Spin-polarized electronic structure calculations were performed in the approximation of local electron spin density corrected for strong electron correlations using the LSDA+U method. The changes in the magnetic moments and exchange interactions in GdNi2Mnx (x = 0, 0.4, 0.6) governing the increase in the Curie temperature with manganese concentration were determined. The optical constants of the compounds were measured by the ellipsometric method in the wide spectral range of 0.22-15 μm. The peculiarities of the evolution of the frequency dependences of optical conductivity with a change in the manganese content were revealed. Based on the calculated densities of electron states, the behavior of these dispersion curves in the region of interband absorption of light was discussed. The concentration dependences of several electronic characteristics were determined.

Analysis of proton and electron spectrometer data from OGO-5 spacecraft

NASA Technical Reports Server (NTRS)

Pomerantz, M. A.

1975-01-01

The interaction between the geomagnetic and interplanetary magnetic fields is studied through its effects upon the intensities of solar electrons reaching the polar caps during times of strongly anisotropic electron fluxes in the magnetosheath. During the particle event of November 18, 1968, electrons of solar origin were observed outside the magnetopause with detectors aboard OGO-5. Correlative studies of these satellite observations and concurrent measurements by riometers and ionospheric forward scatter systems in both polar regions revealed that the initial stage of the associated polar cap absorption event is attributable to the arrival of solar electrons. Evidence of a north-south asymmetry in the solar electron flux, at a time when the interplanetary magnetic field vector was nearly parallel with the ecliptic plane, supports an open magnetospheric model. The analysis indicates that an anisotropic electron flux may be isotropized at the magnetopause before propagating into the polar regions.

Ion-induced electron emission microscopy

DOEpatents

Doyle, Barney L.; Vizkelethy, Gyorgy; Weller, Robert A.

2001-01-01

An ion beam analysis system that creates multidimensional maps of the effects of high energy ions from an unfocussed source upon a sample by correlating the exact entry point of an ion into a sample by projection imaging of the secondary electrons emitted at that point with a signal from a detector that measures the interaction of that ion within the sample. The emitted secondary electrons are collected in a strong electric field perpendicular to the sample surface and (optionally) projected and refocused by the electron lenses found in a photon emission electron microscope, amplified by microchannel plates and then their exact position is sensed by a very sensitive X Y position detector. Position signals from this secondary electron detector are then correlated in time with nuclear, atomic or electrical effects, including the malfunction of digital circuits, detected within the sample that were caused by the individual ion that created these secondary electrons in the fit place.

Electron spectra of xenon clusters irradiated with a laser-driven plasma soft-x-ray laser pulse

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

Namba, S.; Takiyama, K.; Hasegawa, N.

Xenon clusters were irradiated with plasma soft-x-ray laser pulses (having a wavelength of 13.9 nm, time duration of 7 ps, and intensities of up to 10 GW/cm{sup 2}). The laser photon energy was high enough to photoionize 4d core electrons. The cross section is large due to a giant resonance. The interaction was investigated by measuring the electron energy spectra. The photoelectron spectra for small clusters indicate that the spectral width due to the 4d hole significantly broadens with increasing cluster size. For larger clusters, the electron energy spectra evolve into a Maxwell-Boltzmann distribution, as a strongly coupled cluster nanoplasmamore » is generated.« less

Metal-insulator transition in a doubly orbitally degenerate model with correlated hopping

NASA Astrophysics Data System (ADS)

Didukh, L.; Skorenkyy, Yu.; Dovhopyaty, Yu.; Hankevych, V.

2000-03-01

In the present paper, we propose a doubly orbitally degenerate narrow-band model with correlated hopping. The peculiarity of the model is taking into account the matrix element of electron-electron interaction, which describes intersite hoppings of electrons. In particular, this leads to the concentration dependence of the effective hopping integral. The cases of the strong and weak Hund's coupling are considered. By means of a generalized mean-field approximation the single-particle Green function and quasiparticle energy spectrum are calculated. Metal-insulator transition is studied in the model at different integer values of the electron concentration. With the help of the obtained energy spectrum, we find energy gap width and criteria of metal-insulator transition.

Electronic transport properties of graphene doped by gallium.

PubMed

Mach, J; Procházka, P; Bartošík, M; Nezval, D; Piastek, J; Hulva, J; Švarc, V; Konečný, M; Kormoš, L; Šikola, T

2017-10-13

In this work we present the effect of low dose gallium (Ga) deposition (<4 ML) performed in UHV (10 -7 Pa) on the electronic doping and charge carrier scattering in graphene grown by chemical vapor deposition. In situ graphene transport measurements performed with a graphene field-effect transistor structure show that at low Ga coverages a graphene layer tends to be strongly n-doped with an efficiency of 0.64 electrons per one Ga atom, while the further deposition and Ga cluster formation results in removing electrons from graphene (less n-doping). The experimental results are supported by the density functional theory calculations and explained as a consequence of distinct interaction between graphene and Ga atoms in case of individual atoms, layers, or clusters.

Electronic transport properties of graphene doped by gallium

NASA Astrophysics Data System (ADS)

Mach, J.; Procházka, P.; Bartošík, M.; Nezval, D.; Piastek, J.; Hulva, J.; Švarc, V.; Konečný, M.; Kormoš, L.; Šikola, T.

2017-10-01

In this work we present the effect of low dose gallium (Ga) deposition (<4 ML) performed in UHV (10-7 Pa) on the electronic doping and charge carrier scattering in graphene grown by chemical vapor deposition. In situ graphene transport measurements performed with a graphene field-effect transistor structure show that at low Ga coverages a graphene layer tends to be strongly n-doped with an efficiency of 0.64 electrons per one Ga atom, while the further deposition and Ga cluster formation results in removing electrons from graphene (less n-doping). The experimental results are supported by the density functional theory calculations and explained as a consequence of distinct interaction between graphene and Ga atoms in case of individual atoms, layers, or clusters.

Rings in above-threshold ionization: A quasiclassical analysis

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

Lewenstein, M.; Kulander, K.C.; Schafer, K.J.

1995-02-01

A generalized strong-field approximation is formulated to describe atoms interacting with intense laser fields. We apply it to determine angular distributions of electrons in above-threshold ionization (ATI). The theory treats the effects of an electron rescattering from its parent ion core in a systematic perturbation series. Probability amplitudes for ionization are interpreted in terms of quasiclassical electron trajectories. We demonstrate that contributions from the direct tunneling processes in the absence of rescattering are not sufficient to describe the observed ATI spectra. We show that the high-energy portion of the spectrum, including recently discovered rings (i.e., complex features in the angularmore » distributions of outgoing electrons) are due to rescattering processes. We compare our quasiclassical results with exact numerical solutions.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

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

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE PAGES

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; ...

2017-01-30

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Nonlinear damping of oblique whistler mode waves through Landau resonance

NASA Astrophysics Data System (ADS)

Hsieh, Y.; Omura, Y.

2017-12-01

Nonlinear trapping of electrons through Landau resonance is a characteristic dynamics in oblique whistler-mode wave particle interactions. The resonance velocity of the Landau resonance at quasi-parallel propagation becomes very close to the parallel group velocity of whistler-mode wave at frequency around 0.5 Ωe, causing a long distance of resonant interaction and strong acceleration of resonant electrons [1]. We demonstrate these effective accelerations for electrons with high equatorial pitch angle ( > 60°) by test particle simulations with parameters for the Earth's inner magnetosphere at L=5. In the simulations, we focus on slightly oblique whistler mode waves with wave normal angle < 20°. Analyzing the wave electric field E and the resonant current J, which is composed of electrons undergoing the Landau resonance, we find that the J·E is mainly positive, which denotes the damping of the wave. Furthermore, we confirm that this positive J•E is dominated by transverse component Jperp·Eperp rather than by longitudinal component Jpara·Eperp. The simulation results reveal that the Landau resonance contributes to the nonlinear damping at 0.5 Ωe for whistler mode waves. Reference [1] Hsieh, Y.-K., and Y. Omura (2017), Nonlinear dynamics of electrons interacting with oblique whistler mode chorus in the magnetosphere, J. Geophys. Res. Space Physics, 122, doi:10.1002/2016JA023255.