Correlation induced electron-hole asymmetry in quasi- two-dimensional iridates.

PubMed

Pärschke, Ekaterina M; Wohlfeld, Krzysztof; Foyevtsova, Kateryna; van den Brink, Jeroen

2017-09-25

The resemblance of crystallographic and magnetic structures of the quasi-two-dimensional iridates Ba 2 IrO 4 and Sr 2 IrO 4 to La 2 CuO 4 points at an analogy to cuprate high-Tc superconductors, even if spin-orbit coupling is very strong in iridates. Here we examine this analogy for the motion of a charge (hole or electron) added to the antiferromagnetic ground state. We show that correlation effects render the hole and electron case in iridates very different. An added electron forms a spin polaron, similar to the cuprates, but the situation of a removed electron is far more complex. Many-body 5d 4 configurations form which can be singlet and triplet states of total angular momentum that strongly affect the hole motion. This not only has ramifications for the interpretation of (inverse-)photoemission experiments but also demonstrates that correlation physics renders electron- and hole-doped iridates fundamentally different.Some iridate compounds such as Sr 2 IrO 4 have electronic and atomic structures similar to quasi-2D copper oxides, raising the prospect of high temperature superconductivity. Here, the authors show that there is significant electron-hole asymmetry in iridates, contrary to expectations from the cuprates.

Uniform electron gases. III. Low-density gases on three-dimensional spheres.

PubMed

Agboola, Davids; Knol, Anneke L; Gill, Peter M W; Loos, Pierre-François

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids - the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) - and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.

Direct correlations of structural and optical properties of three-dimensional GaN/InGaN core/shell micro-light emitting diodes

NASA Astrophysics Data System (ADS)

Sadat Mohajerani, Matin; Müller, Marcus; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-H.; Veit, Peter; Bertram, Frank; Christen, Jürgen; Waag, Andreas

2016-05-01

Three-dimensional (3D) InGaN/GaN quantum-well (QW) core-shell light emitting diodes (LEDs) are a promising candidate for the future solid state lighting. In this contribution, we study direct correlations of structural and optical properties of the core-shell LEDs using highly spatially-resolved cathodoluminescence spectroscopy (CL) in combination with scanning electron microscopy (SEM) and scanning transmission electron microscopy (STEM). Temperature-dependent resonant photoluminescence (PL) spectroscopy has been performed to understand recombination mechanisms and to estimate the internal quantum efficiency (IQE).

Single-valley quantum Hall ferromagnet in a dilute Mg xZn 1-xO/ZnO strongly correlated two-dimensional electron system

DOE PAGES

Kozuka, Y.; Tsukazaki, A.; Maryenko, D.; ...

2012-02-03

We investigate the spin susceptibility (g*m*) of dilute two-dimensional (2D) electrons confined at the Mg xZn 1-xO/ZnO heterointerface. Magnetotransport measurements show a four-fold enhancement of g*m*, dominated by the increase in the Landé g-factor. The g-factor enhancement leads to a ferromagnetic instability of the electron gas as evidenced by sharp resistance spikes. At high magnetic field, the large g*m* leads to full spin polarization, where we found sudden increase in resistance around the filling factors of half-integer, accompanied by complete disappearance of fractional quantum Hall (QH) states. Along with its large effective mass and the high electron mobility, our resultmore » indicates that the ZnO 2D system is ideal for investigating the effect of electron correlations in the QH regime.« less

Induced superconductivity in high-mobility two-dimensional electron gas in gallium arsenide heterostructures.

PubMed

Wan, Zhong; Kazakov, Aleksandr; Manfra, Michael J; Pfeiffer, Loren N; West, Ken W; Rokhinson, Leonid P

2015-06-11

Search for Majorana fermions renewed interest in semiconductor-superconductor interfaces, while a quest for higher-order non-Abelian excitations demands formation of superconducting contacts to materials with fractionalized excitations, such as a two-dimensional electron gas in a fractional quantum Hall regime. Here we report induced superconductivity in high-mobility two-dimensional electron gas in gallium arsenide heterostructures and development of highly transparent semiconductor-superconductor ohmic contacts. Supercurrent with characteristic temperature dependence of a ballistic junction has been observed across 0.6 μm, a regime previously achieved only in point contacts but essential to the formation of well separated non-Abelian states. High critical fields (>16 T) in NbN contacts enables investigation of an interplay between superconductivity and strongly correlated states in a two-dimensional electron gas at high magnetic fields.

Induced superconductivity in high-mobility two-dimensional electron gas in gallium arsenide heterostructures

PubMed Central

Wan, Zhong; Kazakov, Aleksandr; Manfra, Michael J.; Pfeiffer, Loren N.; West, Ken W.; Rokhinson, Leonid P.

2015-01-01

Search for Majorana fermions renewed interest in semiconductor–superconductor interfaces, while a quest for higher-order non-Abelian excitations demands formation of superconducting contacts to materials with fractionalized excitations, such as a two-dimensional electron gas in a fractional quantum Hall regime. Here we report induced superconductivity in high-mobility two-dimensional electron gas in gallium arsenide heterostructures and development of highly transparent semiconductor–superconductor ohmic contacts. Supercurrent with characteristic temperature dependence of a ballistic junction has been observed across 0.6 μm, a regime previously achieved only in point contacts but essential to the formation of well separated non-Abelian states. High critical fields (>16 T) in NbN contacts enables investigation of an interplay between superconductivity and strongly correlated states in a two-dimensional electron gas at high magnetic fields. PMID:26067452

Two-dimensional superconductivity at a Mott insulator/band insulator interface LaTiO3/SrTiO3.

PubMed

Biscaras, J; Bergeal, N; Kushwaha, A; Wolf, T; Rastogi, A; Budhani, R C; Lesueur, J

2010-10-05

Transition metal oxides show a great variety of quantum electronic behaviours where correlations often have an important role. The achievement of high-quality epitaxial interfaces involving such materials gives a unique opportunity to engineer artificial structures where new electronic orders take place. One of the most striking result in this area is the recent observation of a two-dimensional electron gas at the interface between a strongly correlated Mott insulator LaTiO(3) and a band insulator SrTiO(3). The mechanism responsible for such a behaviour is still under debate. In particular, the influence of the nature of the insulator has to be clarified. In this article, we show that despite the expected electronic correlations, LaTiO(3)/SrTiO(3) heterostructures undergo a superconducting transition at a critical temperature T(c)(onset)~300 mK. We have found that the superconducting electron gas is confined over a typical thickness of 12 nm and is located mostly on the SrTiO(3) substrate.

Uniform electron gases. III. Low-density gases on three-dimensional spheres

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

Agboola, Davids; Knol, Anneke L.; Gill, Peter M. W., E-mail: peter.gill@anu.edu.au

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGFmore » centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids — the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) — and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.« less

Two-dimensional mapping of polarizations of rhombohedral nanostructures in the orthorhombic phase of KNbO3 by the combined use of scanning transmission electron microscopy and convergent-beam electron diffraction

NASA Astrophysics Data System (ADS)

Tsuda, Kenji; Tanaka, Michiyoshi

2015-08-01

Rhombohedral nanostructures previously found in the orthorhombic phase of KNbO3, by convergent-beam electron diffraction [Tsuda et al., Appl. Phys. Lett. 102, 051913 (2013)], have been investigated by the combined use of scanning transmission electron microscopy and convergent-beam electron diffraction. Two-dimensional distributions of the rhombohedral nanostructures, or nanometer-scale spatial fluctuations of polarization clusters, have been successfully visualized. The correlation length of the observed spatial fluctuations of local polarizations is related to the cpc/apc ratio and the transition entropy.

Layer-by-Layer Evolution of a Two-Dimensional Electron Gas Near an Oxide Interface

NASA Astrophysics Data System (ADS)

Chang, Young Jun; Moreschini, Luca; Bostwick, Aaron; Gaines, Geoffrey A.; Kim, Yong Su; Walter, Andrew L.; Freelon, Byron; Tebano, Antonello; Horn, Karsten; Rotenberg, Eli

2013-09-01

We report the momentum-resolved measurement of a two-dimensional electron gas at the LaTiO3/SrTiO3 interface by angle-resolved photoemission spectroscopy (ARPES). Thanks to an advanced sample preparation technique, the orbital character of the conduction electrons and the electronic correlations can be accessed quantitatively as each unit cell layer is added. We find that all of these quantities change dramatically with distance from the interface. These findings open the way to analogous studies on other heterostructures, which are traditionally a forbidden field for ARPES.

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Poirier, Bill

2018-03-01

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions.

PubMed

Jerke, Jonathan; Poirier, Bill

2018-03-14

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy-i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted-as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Influence of lattice vibrations on the field driven electronic transport in chains with correlated disorder

NASA Astrophysics Data System (ADS)

da Silva, L. D.; Sales, M. O.; Ranciaro Neto, A.; Lyra, M. L.; de Moura, F. A. B. F.

2016-12-01

We investigate electronic transport in a one-dimensional model with four different types of atoms and long-ranged correlated disorder. The latter was attained by choosing an adequate distribution of on-site energies. The wave-packet dynamics is followed by taking into account effects due to a static electric field and electron-phonon coupling. In the absence of electron-phonon coupling, the competition between correlated disorder and the static electric field promotes the occurrence of wave-packet oscillations in the regime of strong correlations. When the electron-lattice coupling is switched on, phonon scattering degrades the Bloch oscillations. For weak electron-phonon couplings, a coherent oscillatory-like dynamics of the wave-packet centroid persists for short periods of time. For strong couplings the wave-packet acquires a diffusive-like displacement and spreading. A slower sub-diffusive spreading takes place in the regime of weak correlations.

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

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

Li, S.; Kaushal, N.; Wang, Y.

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that themore » self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.« less

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

DOE PAGES

Li, S.; Kaushal, N.; Wang, Y.; ...

2016-12-12

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that themore » self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.« less

Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

NASA Technical Reports Server (NTRS)

Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

1989-01-01

Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

Defect-driven localization crossovers in MBE-grown La-doped SrSn O3 films

NASA Astrophysics Data System (ADS)

Wang, Tianqi; Thoutam, Laxman Raju; Prakash, Abhinav; Nunn, William; Haugstad, Greg; Jalan, Bharat

2017-11-01

Through systematic control of cation stoichiometry using a hybrid molecular beam epitaxy method, we show a crossover from weak to strong localization of electronic carriers in La-doped SrSn O3 films on LaAl O3 (001). We demonstrate that substrate-induced dislocations in these films can have a strong influence on the electron phase coherence length resulting in two-dimensional to three-dimensional weak localization crossover. We discuss the correlation between electronic transport, and defects associated with nonstoichiometry and dislocations.

Control of two-dimensional electronic states at anatase Ti O2(001 ) surface by K adsorption

NASA Astrophysics Data System (ADS)

Yukawa, R.; Minohara, M.; Shiga, D.; Kitamura, M.; Mitsuhashi, T.; Kobayashi, M.; Horiba, K.; Kumigashira, H.

2018-04-01

The nature of the intriguing metallic electronic structures appearing at the surface of anatase titanium dioxide (a-Ti O2 ) remains to be elucidated, mainly owing to the difficulty of controlling the depth distribution of the oxygen vacancies generated by photoirradiation. In this study, K atoms were adsorbed onto the (001) surface of a-Ti O2 to dope electrons into the a-Ti O2 and to confine the electrons in the surface region. The success of the electron doping and its controllability were confirmed by performing in situ angle-resolved photoemission spectroscopy as well as core-level measurements. Clear subband structures were observed in the surface metallic states, indicating the creation of quasi-two-dimensional electron liquid (q2DEL) states in a controllable fashion. With increasing electron doping (K adsorption), the q2DEL states exhibited crossover from polaronic liquid states with multiple phonon-loss structures originating from the long-range Fröhlich interaction to "weakly correlated metallic" states. In the q2DEL states in the weakly correlated metallic region, a kink due to short-range electron-phonon coupling was clearly observed at about 80 ±10 meV . The characteristic energy is smaller than that previously observed for the metallic states of a-Ti O2 with three-dimensional nature (˜110 meV ) . These results suggest that the dominant electron-phonon coupling is modulated by anisotropic carrier screening in the q2DEL states.

Doping Evolution of Magnetic Order and Magnetic Excitations in (Sr1 -xLax)3Ir2O7

NASA Astrophysics Data System (ADS)

Lu, Xingye; McNally, D. E.; Moretti Sala, M.; Terzic, J.; Upton, M. H.; Casa, D.; Ingold, G.; Cao, G.; Schmitt, T.

2017-01-01

We use resonant elastic and inelastic x-ray scattering at the Ir-L3 edge to study the doping-dependent magnetic order, magnetic excitations, and spin-orbit excitons in the electron-doped bilayer iridate (Sr1 -xLax )3Ir2 O7 (0 ≤x ≤0.065 ). With increasing doping x , the three-dimensional long range antiferromagnetic order is gradually suppressed and evolves into a three-dimensional short range order across the insulator-to-metal transition from x =0 to 0.05, followed by a transition to two-dimensional short range order between x =0.05 and 0.065. Because of the interactions between the Jeff=1/2 pseudospins and the emergent itinerant electrons, magnetic excitations undergo damping, anisotropic softening, and gap collapse, accompanied by weakly doping-dependent spin-orbit excitons. Therefore, we conclude that electron doping suppresses the magnetic anisotropy and interlayer couplings and drives (Sr1 -xLax )3Ir2 O7 into a correlated metallic state with two-dimensional short range antiferromagnetic order. Strong antiferromagnetic fluctuations of the Jeff=1/2 moments persist deep in this correlated metallic state, with the magnon gap strongly suppressed.

Stopping dynamics of ions passing through correlated honeycomb clusters

NASA Astrophysics Data System (ADS)

Balzer, Karsten; Schlünzen, Niclas; Bonitz, Michael

2016-12-01

A combined nonequilibrium Green functions-Ehrenfest dynamics approach is developed that allows for a time-dependent study of the energy loss of a charged particle penetrating a strongly correlated system at zero and finite temperatures. Numerical results are presented for finite inhomogeneous two-dimensional Fermi-Hubbard models, where the many-electron dynamics in the target are treated fully quantum mechanically and the motion of the projectile is treated classically. The simulations are based on the solution of the two-time Dyson (Keldysh-Kadanoff-Baym) equations using the second-order Born, third-order, and T -matrix approximations of the self-energy. As application, we consider protons and helium nuclei with a kinetic energy between 1 and 500 keV/u passing through planar fragments of the two-dimensional honeycomb lattice and, in particular, examine the influence of electron-electron correlations on the energy exchange between projectile and electron system. We investigate the time dependence of the projectile's kinetic energy (stopping power), the electron density, the double occupancy, and the photoemission spectrum. Finally, we show that, for a suitable choice of the Hubbard model parameters, the results for the stopping power are in fair agreement with ab initio simulations for particle irradiation of single-layer graphene.

A disorder-enhanced quasi-one-dimensional superconductor

PubMed Central

Petrović, A. P.; Ansermet, D.; Chernyshov, D.; Hoesch, M.; Salloum, D.; Gougeon, P.; Potel, M.; Boeri, L.; Panagopoulos, C.

2016-01-01

A powerful approach to analysing quantum systems with dimensionality d>1 involves adding a weak coupling to an array of one-dimensional (1D) chains. The resultant quasi-1D (q1D) systems can exhibit long-range order at low temperature, but are heavily influenced by interactions and disorder due to their large anisotropies. Real q1D materials are therefore ideal candidates not only to provoke, test and refine theories of strongly correlated matter, but also to search for unusual emergent electronic phases. Here we report the unprecedented enhancement of a superconducting instability by disorder in single crystals of Na2−δMo6Se6, a q1D superconductor comprising MoSe chains weakly coupled by Na atoms. We argue that disorder-enhanced Coulomb pair-breaking (which usually destroys superconductivity) may be averted due to a screened long-range Coulomb repulsion intrinsic to disordered q1D materials. Our results illustrate the capability of disorder to tune and induce new correlated electron physics in low-dimensional materials. PMID:27448209

A disorder-enhanced quasi-one-dimensional superconductor.

PubMed

Petrović, A P; Ansermet, D; Chernyshov, D; Hoesch, M; Salloum, D; Gougeon, P; Potel, M; Boeri, L; Panagopoulos, C

2016-07-22

A powerful approach to analysing quantum systems with dimensionality d>1 involves adding a weak coupling to an array of one-dimensional (1D) chains. The resultant quasi-1D (q1D) systems can exhibit long-range order at low temperature, but are heavily influenced by interactions and disorder due to their large anisotropies. Real q1D materials are therefore ideal candidates not only to provoke, test and refine theories of strongly correlated matter, but also to search for unusual emergent electronic phases. Here we report the unprecedented enhancement of a superconducting instability by disorder in single crystals of Na2-δMo6Se6, a q1D superconductor comprising MoSe chains weakly coupled by Na atoms. We argue that disorder-enhanced Coulomb pair-breaking (which usually destroys superconductivity) may be averted due to a screened long-range Coulomb repulsion intrinsic to disordered q1D materials. Our results illustrate the capability of disorder to tune and induce new correlated electron physics in low-dimensional materials.

Attosecond Electron Correlation Dynamics in Double Ionization of Benzene Probed with Two-Electron Angular Streaking

NASA Astrophysics Data System (ADS)

Winney, Alexander H.; Lee, Suk Kyoung; Lin, Yun Fei; Liao, Qing; Adhikari, Pradip; Basnayake, Gihan; Schlegel, H. Bernhard; Li, Wen

2017-09-01

With a novel three-dimensional electron-electron coincidence imaging technique and two-electron angular streaking method, we show that the emission time delay between two electrons can be measured from tens of attoseconds to more than 1 fs. Surprisingly, in benzene, the double ionization rate decays as the time delay between the first and second electron emission increases during the first 500 as. This is further supported by the decay of the Coulomb repulsion in the direction perpendicular to the laser polarization. This result reveals that laser-induced electron correlation plays a major role in strong field double ionization of benzene driven by a nearly circularly polarized field.

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

Mielke, Charles H.

The alkali-doped fullerides provide the first example of a transition from a three-dimensional Mott insulator to a superconductor, enabling the effects of both dimensionality and electron correlations on superconductivity to be explored. Chemically, the alkali species tunes the superconductivity in the vicinity of the Mott transition by varying the unit cell volume.

Four-dimensional positron age-momentum correlation

NASA Astrophysics Data System (ADS)

Ackermann, Ulrich; Löwe, Benjamin; Dickmann, Marcel; Mitteneder, Johannes; Sperr, Peter; Egger, Werner; Reiner, Markus; Dollinger, Günther

2016-11-01

We have performed first four-dimensional age-momentum correlation (4D-AMOC) measurements at a pulsed high intensity positron micro beam and determined the absolute value of the three-dimensional momentum of the electrons annihilating with the positrons in coincidence with the positron age in the sample material. We operated two position sensitive detectors in coincidence to measure the annihilation radiation: a pixelated HPGe-detector and a microchannel plate image intensifier with a CeBr3 scintillator pixel array. The transversal momentum resolution of the 4D-AMOC setup was measured to be about 17 × 10-3 {m}0c (FWHM) and was circa 3.5 times larger than the longitudinal momentum resolution. The total time resolution was 540 ps (FWHM). We measured two samples: a gold foil and a carbon tape at a positron implantation energy of 2 keV. For each sample discrete electron momentum states and their respective positron lifetimes were extracted.

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

PubMed Central

2018-01-01

We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).1−5 Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene molecule, and chains of sodium dimers, all located in optical cavities and described in full real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a real molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, for example, electron–photon correlation functions, become accessible in a density-functional theory (DFT) framework. This work constitutes the first three-dimensional ab initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab initio study of correlated electron–photon systems in quantum cavities. PMID:29594185

Correlative Fluorescence and Electron Microscopy in 3D-Scanning Electron Microscope Perspective.

PubMed

Franks, Jonathan; Wallace, Callen T; Shibata, Masateru; Suga, Mitsuo; Erdman, Natasha; Stolz, Donna B; Watkins, Simon C

2017-04-03

The ability to correlate fluorescence microscopy (FM) and electron microscopy (EM) data obtained on biological (cell and tissue) specimens is essential to bridge the resolution gap between the data obtained by these different imaging techniques. In the past such correlations were limited to either EM navigation in two dimensions to the locations previously highlighted by fluorescence markers, or subsequent high-resolution acquisition of tomographic information using a TEM. We present a novel approach whereby a sample previously investigated by FM is embedded and subjected to sequential mechanical polishing and backscatter imaging by scanning electron microscope. The resulting three dimensional EM tomogram of the sample can be directly correlated to the FM data. © 2017 by John Wiley & Sons, Inc. Copyright © 2017 John Wiley & Sons, Inc.

Spatially Resolved Nano-Scale Characterization of Electronic States in SrTiO3(001) Surfaces by STM/STS

NASA Astrophysics Data System (ADS)

Iwaya, Katsuya; Ohsawa, Takeo; Shimizu, Ryota; Hashizume, Tomihiro; Hitosugi, Taro

2012-02-01

We have performed low temperature scanning tunneling microscopy/spectroscopy (STM/STS) measurements on TiO2-terminated SrTiO3(001) thin film surfaces. The conductance map exhibited electronic modulations that were completely different from the surface structure. We also found that the electronic modulations were strongly dependent on temperature and the density of atomic defects associated with oxygen vacancies. These results suggest the existence of strongly correlated two-dimensional electronic states near the SrTiO3 surface, implying the importance of electron correlation at the interfaces of SrTiO3-related heterostructures.

FT3D: three-dimensional Fourier analysis on small Unix workstations for electron microscopy and tomographic studies.

PubMed

Lanzavecchia, S; Bellon, P L; Tosoni, L

1993-12-01

FT3D is a self-contained package of tools for three-dimensional Fourier analysis, written in the C language for Unix workstations. It can evaluate direct transforms of three-dimensional real functions, inverse transforms, auto- and cross-correlations and spectra. The library has been developed to support three-dimensional reconstructions of biological structures from projections obtained in the electron microscope. This paper discusses some features of the library, which has been implemented in such a way as to profit from the resources of modern workstations. A table of elapsed times for jobs of different dimensions with different RAM buffers is reported for the particular hardware used in the authors' laboratory.

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

DOE PAGES

Kasahara, Y.; Takeuchi, Y.; Zadik, R. H.; ...

2017-02-17

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (T c) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field H c2 of the fulleride superconductors reaches values as high as ~90 T—the highest among cubic crystals. This is accompanied by a crossover from weak-more » to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. Lastly, these results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-T c and high-H c2.« less

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

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

Kasahara, Y.; Takeuchi, Y.; Zadik, R. H.

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (T c) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field H c2 of the fulleride superconductors reaches values as high as ~90 T—the highest among cubic crystals. This is accompanied by a crossover from weak-more » to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. Lastly, these results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-T c and high-H c2.« less

Correlation strength, Lifshitz transition, and the emergence of a two-dimensional to three-dimensional crossover in FeSe under pressure

NASA Astrophysics Data System (ADS)

Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D.; Leonov, I.

2018-03-01

We report a detailed theoretical study of the electronic structure, spectral properties, and lattice parameters of bulk FeSe under pressure using a fully charge self-consistent implementation of the density functional theory plus dynamical mean-field theory method (DFT+DMFT). In particular, we perform a structural optimization and compute the evolution of the lattice parameters (volume, c /a ratio, and the internal z position of Se) and the electronic structure of the tetragonal (space group P 4 /n m m ) unit cell of paramagnetic FeSe. Our results for the lattice parameters obtained by structural optimization using DFT+DMFT are in good quantitative agreement with experiment, implying a crucial importance of electron correlations in determining the correct lattice properties of FeSe. Most importantly, upon compression to 10 GPa our results reveal a topological change in the Fermi surface (Lifshitz transition) which is accompanied by a two- to three-dimensional crossover and a small reduction of the quasiparticle mass renormalization compared to ambient pressure. The behavior of the momentum-resolved magnetic susceptibility χ (q ) shows no topological changes of magnetic correlations under pressure but demonstrates a reduction of the degree of the in-plane (π ,π ) stripe-type nesting. Our results for the electronic structure and lattice parameters of FeSe are in good qualitative agreement with recent experiments on its isoelectronic counterpart FeSe1 -xSx .

Stochastic evaluation of second-order many-body perturbation energies.

PubMed

Willow, Soohaeng Yoo; Kim, Kwang S; Hirata, So

2012-11-28

With the aid of the Laplace transform, the canonical expression of the second-order many-body perturbation correction to an electronic energy is converted into the sum of two 13-dimensional integrals, the 12-dimensional parts of which are evaluated by Monte Carlo integration. Weight functions are identified that are analytically normalizable, are finite and non-negative everywhere, and share the same singularities as the integrands. They thus generate appropriate distributions of four-electron walkers via the Metropolis algorithm, yielding correlation energies of small molecules within a few mE(h) of the correct values after 10(8) Monte Carlo steps. This algorithm does away with the integral transformation as the hotspot of the usual algorithms, has a far superior size dependence of cost, does not suffer from the sign problem of some quantum Monte Carlo methods, and potentially easily parallelizable and extensible to other more complex electron-correlation theories.

Band structures in coupled-cluster singles-and-doubles Green's function (GFCCSD)

NASA Astrophysics Data System (ADS)

Furukawa, Yoritaka; Kosugi, Taichi; Nishi, Hirofumi; Matsushita, Yu-ichiro

2018-05-01

We demonstrate that the coupled-cluster singles-and-doubles Green's function (GFCCSD) method is a powerful and prominent tool drawing the electronic band structures and the total energies, which many theoretical techniques struggle to reproduce. We have calculated single-electron energy spectra via the GFCCSD method for various kinds of systems, ranging from ionic to covalent and van der Waals, for the first time: the one-dimensional LiH chain, one-dimensional C chain, and one-dimensional Be chain. We have found that the bandgap becomes narrower than in HF due to the correlation effect. We also show that the band structures obtained from the GFCCSD method include both quasiparticle and satellite peaks successfully. Besides, taking one-dimensional LiH as an example, we discuss the validity of restricting the active space to suppress the computational cost of the GFCCSD method. We show that the calculated results without bands that do not contribute to the chemical bonds are in good agreement with full-band calculations. With the GFCCSD method, we can calculate the total energies and spectral functions for periodic systems in an explicitly correlated manner.

Observation of the quantum Hall effect in δ-doped SrTiO3

PubMed Central

Matsubara, Y.; Takahashi, K. S.; Bahramy, M. S.; Kozuka, Y.; Maryenko, D.; Falson, J.; Tsukazaki, A.; Tokura, Y.; Kawasaki, M.

2016-01-01

The quantum Hall effect is a macroscopic quantum phenomenon in a two-dimensional electron system. The two-dimensional electron system in SrTiO3 has sparked a great deal of interest, mainly because of the strong electron correlation effects expected from the 3d orbitals. Here we report the observation of the quantum Hall effect in a dilute La-doped SrTiO3-two-dimensional electron system, fabricated by metal organic molecular-beam epitaxy. The quantized Hall plateaus are found to be solely stemming from the low Landau levels with even integer-filling factors, ν=4 and 6 without any contribution from odd ν's. For ν=4, the corresponding plateau disappears on decreasing the carrier density. Such peculiar behaviours are proposed to be due to the crossing between the Landau levels originating from the two subbands composed of d orbitals with different effective masses. Our findings pave a way to explore unprecedented quantum phenomena in d-electron systems. PMID:27228903

Correlational switching between 3{times}1 and 6{times}1 surface reconstructions on Si(111) with submonolayer Ag adsorption

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

Kempa, K.; Broido, D.A.; Weitering, H.H.

Electron correlations are strongly enhanced in low dimensional systems. Taking correlations as the dominant mechanism, we provide and explanation of the recently observed electrostatically enforced structural phase transition (3x1 to 6x1) on a Si(111) surface with sub-monolayer Ag adsorption.

Correlated Light and Electron Microscopy/Electron Tomography of Mitochondria In Situ

PubMed Central

Perkins, Guy A.; Sun, Mei G.; Frey, Terrence G.

2009-01-01

Three-dimensional light microscopy and three-dimensional electron microscopy (electron tomography) separately provide very powerful tools to study cellular structure and physiology, including the structure and physiology of mitochondria. Fluorescence microscopy allows one to study processes in live cells with specific labels and stains that follow the movement of labeled proteins and changes within cellular compartments but does not have sufficient resolution to define the ultrastructure of intracellular organelles such as mitochondria. Electron microscopy and electron tomography provide the highest resolution currently available to study mitochondrial ultrastructure but cannot follow processes in living cells. We describe the combination of these two techniques in which fluorescence confocal microscopy is used to study structural and physiologic changes in mitochondria within apoptotic HeLa cells to define the apoptotic timeframe. Cells can then be selected at various stages of the apoptotic timeframe for examination at higher resolution by electron microscopy and electron tomography. This is a form of “virtual” 4-dimensional electron microscopy that has revealed interesting structural changes in the mitochondria of HeLa cells during apoptosis. The same techniques can be applied, with modification, to study other dynamic processes within cells in other experimental contexts. PMID:19348881

Microwave-Induced Magneto-Oscillations and Signatures of Zero-Resistance States in Phonon-Drag Voltage in Two-Dimensional Electron Systems

NASA Astrophysics Data System (ADS)

Levin, A. D.; Momtaz, Z. S.; Gusev, G. M.; Raichev, O. E.; Bakarov, A. K.

2015-11-01

We observe the phonon-drag voltage oscillations correlating with the resistance oscillations under microwave irradiation in a two-dimensional electron gas in perpendicular magnetic field. This phenomenon is explained by the influence of dissipative resistivity modified by microwaves on the phonon-drag voltage perpendicular to the phonon flux. When the lowest-order resistance minima evolve into zero-resistance states, the phonon-drag voltage demonstrates sharp features suggesting that current domains associated with these states can exist in the absence of external dc driving.

Microwave-Induced Magneto-Oscillations and Signatures of Zero-Resistance States in Phonon-Drag Voltage in Two-Dimensional Electron Systems.

PubMed

Levin, A D; Momtaz, Z S; Gusev, G M; Raichev, O E; Bakarov, A K

2015-11-13

We observe the phonon-drag voltage oscillations correlating with the resistance oscillations under microwave irradiation in a two-dimensional electron gas in perpendicular magnetic field. This phenomenon is explained by the influence of dissipative resistivity modified by microwaves on the phonon-drag voltage perpendicular to the phonon flux. When the lowest-order resistance minima evolve into zero-resistance states, the phonon-drag voltage demonstrates sharp features suggesting that current domains associated with these states can exist in the absence of external dc driving.

New Quasi Low-Dimensional 4d and 5d Transition Metal Oxides with Correlated Electronic Properties - Synthesis and Characterizations

DTIC Science & Technology

2016-02-17

high pressure (HP) and high temperature ( HT ) synthesis to find new interesting and potentially useful polar materials. As will be shown here, we have...of general formula A2BB’O6. In addition, HP and HT were also used to prepare new metastable double perovskites and quadruple perovskites with unusual...transition metals and exotic correlated electronic properties was used in parallel with the HP/ HT projects. As the results enumerated below show, a

Electronic structure studies of La2CuO4

NASA Astrophysics Data System (ADS)

Wachs, A. L.; Turchi, P. E. A.; Jean, Y. C.; Wetzler, K. H.; Howell, R. H.; Fluss, M. J.; Harshman, D. R.; Remeika, J. P.; Cooper, A. S.; Fleming, R. M.

1988-07-01

We report results of positron-electron momentum-distribution measurements of single-crystal La2CuO4 using two-dimensional angular correlation of positron-annihilation-radiation techniques. The data contain two components: a large (~85%), isotropic corelike electron contribution and a remaining, anisotropic valence-electron contribution modeled using a linear combination of atomic orbitals-molecular orbital method and a localized ion scheme, within the independent-particle model approximation. This work suggests a ligand-field Hamiltonian to be justified for describing the electronic properties of perovskite materials.

Dimensionality Control of d-orbital Occupation in Oxide Superlattices

PubMed Central

Jeong, Da Woon; Choi, Woo Seok; Okamoto, Satoshi; Kim, Jae–Young; Kim, Kyung Wan; Moon, Soon Jae; Cho, Deok–Yong; Lee, Ho Nyung; Noh, Tae Won

2014-01-01

Manipulating the orbital state in a strongly correlated electron system is of fundamental and technological importance for exploring and developing novel electronic phases. Here, we report an unambiguous demonstration of orbital occupancy control between t2g and eg multiplets in quasi-two-dimensional transition metal oxide superlattices (SLs) composed of a Mott insulator LaCoO3 and a band insulator LaAlO3. As the LaCoO3 sublayer thickness approaches its fundamental limit (i.e. one unit-cell-thick), the electronic state of the SLs changed from a Mott insulator, in which both t2g and eg orbitals are partially filled, to a band insulator by completely filling (emptying) the t2g (eg) orbitals. We found the reduction of dimensionality has a profound effect on the electronic structure evolution, which is, whereas, insensitive to the epitaxial strain. The remarkable orbital controllability shown here offers a promising pathway for novel applications such as catalysis and photovoltaics, where the energy of d level is an essential parameter. PMID:25134975

Anisotropic charge density wave in layered 1 T - TiS e 2

DOE PAGES

Qiao, Qiao; Zhou, Songsong; Tao, Jing; ...

2017-10-04

We present a three-dimensional study on the anisotropy of the charge density wave (CDW) in 1T-TiSe 2, by means of in situ atomically resolved electron microscopy at cryogenic temperatures in both reciprocal and real spaces. Using coherent nanoelectron diffraction, we observed short-range coherence of the in-plane CDW component while the long-range coherence of out-of-plane CDW component remains intact. An in-plane CDW coherence length of ~10 nm and an out-of-plane CDW coherence length of 17.5 nm, as a lower bound, were determined. The electron modulation was observed using electron energy-loss spectroscopy and verified by an orbital-projected density of states. Our integratedmore » approach reveals anisotropic CDW domains at the nanoscale, and illustrates electron modulation-induced symmetry breaking of a two-dimensional material in three dimensions, offering an opportunity to study the effect of reduced dimensionality in strongly correlated systems.« less

Quantum coherence selective 2D Raman–2D electronic spectroscopy

PubMed Central

Spencer, Austin P.; Hutson, William O.; Harel, Elad

2017-01-01

Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

Electronic field emission models beyond the Fowler-Nordheim one

NASA Astrophysics Data System (ADS)

Lepetit, Bruno

2017-12-01

We propose several quantum mechanical models to describe electronic field emission from first principles. These models allow us to correlate quantitatively the electronic emission current with the electrode surface details at the atomic scale. They all rely on electronic potential energy surfaces obtained from three dimensional density functional theory calculations. They differ by the various quantum mechanical methods (exact or perturbative, time dependent or time independent), which are used to describe tunneling through the electronic potential energy barrier. Comparison of these models between them and with the standard Fowler-Nordheim one in the context of one dimensional tunneling allows us to assess the impact on the accuracy of the computed current of the approximations made in each model. Among these methods, the time dependent perturbative one provides a well-balanced trade-off between accuracy and computational cost.

Shot noise at high temperatures

NASA Astrophysics Data System (ADS)

Gutman, D. B.; Gefen, Yuval

2003-07-01

We consider the possibility of measuring nonequilibrium properties of the current correlation functions at high temperatures (and small bias). Through the example of the third cumulant of the current (S3) we demonstrate that odd-order correlation functions represent nonequilibrium physics even at small external bias and high temperatures. We calculate S3=y(eV/T)e2I for a quasi-one-dimensional diffusive constriction. We calculate the scaling function y in two regimes: when the scattering processes are purely elastic and when the inelastic electron-electron scattering is strong. In both cases we find that y interpolates between two constants. In the low- (high-) temperature limit y is strongly (weakly) enhanced (suppressed) by the electron-electron scattering.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions.

PubMed

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-07

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

NASA Astrophysics Data System (ADS)

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-01

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

The half-filled Landau level: The case for Dirac composite fermions

NASA Astrophysics Data System (ADS)

Geraedts, Scott D.; Zaletel, Michael P.; Mong, Roger S. K.; Metlitski, Max A.; Vishwanath, Ashvin; Motrunich, Olexei I.

2016-04-01

In a two-dimensional electron gas under a strong magnetic field, correlations generate emergent excitations distinct from electrons. It has been predicted that “composite fermions”—bound states of an electron with two magnetic flux quanta—can experience zero net magnetic field and form a Fermi sea. Using infinite-cylinder density matrix renormalization group numerical simulations, we verify the existence of this exotic Fermi sea, but find that the phase exhibits particle-hole symmetry. This is self-consistent only if composite fermions are massless Dirac particles, similar to the surface of a topological insulator. Exploiting this analogy, we observe the suppression of 2kF backscattering, a characteristic of Dirac particles. Thus, the phenomenology of Dirac fermions is also relevant to two-dimensional electron gases in the quantum Hall regime.

A theory of solar type 3 radio bursts

NASA Technical Reports Server (NTRS)

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

1979-01-01

Energetic electrons propagating through the interplanetary medium are shown to excite the one dimensional oscillating two stream instability (OTSI). The OTSI is in turn stabilized by anomalous resistivity which completes the transfer of long wavelength Langmuir waves to short wavelengths, out of resonance with the electrons. The theory explains the small energy losses suffered by the electrons in propagating to 1 AU, the predominance of second harmonic radiation, and the observed correlation between radio and electron fluxes.

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.

The self-trapping transition in the non-half-filled strongly correlated extended Holstein-Hubbard model in two-dimensions

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

Sankar, I. V., E-mail: ivshankar27@gmail.com; Chatterjee, Ashok, E-mail: ivshankar27@gmail.com

2014-04-24

The two-dimensional extended Holstein-Hubbard model (EHH) has been considered at strong correlation regime in the non-half-filled band case to understand the self-trapping transition of electrons in strongly correlated electron system. We have used the method of optimized canonical transformations to transform an EHH model into an effective extended Hubbard (EEH) model. In the strong on-site correlation limit an EH model can be transformed into a t-J model which is finally solved using Hartree-Fock approximation (HFA). We found that, for non-half-filled band case, the transition is abrupt in the adiabatic region whereas it is continuous in the anti-adiabatic region.

Spin correlations in quantum wires

NASA Astrophysics Data System (ADS)

Sun, Chen; Pokrovsky, Valery L.

2015-04-01

We consider theoretically spin correlations in a one-dimensional quantum wire with Rashba-Dresselhaus spin-orbit interaction (RDI). The correlations of noninteracting electrons display electron spin resonance at a frequency proportional to the RDI coupling. Interacting electrons, upon varying the direction of the external magnetic field, transit from the state of Luttinger liquid (LL) to the spin-density wave (SDW) state. We show that the two-time total-spin correlations of these states are significantly different. In the LL, the projection of total spin to the direction of the RDI-induced field is conserved and the corresponding correlator is equal to zero. The correlators of two components perpendicular to the RDI field display a sharp electron-spin resonance driven by the RDI-induced intrinsic field. In contrast, in the SDW state, the longitudinal projection of spin dominates, whereas the transverse components are suppressed. This prediction indicates a simple way for an experimental diagnostic of the SDW in a quantum wire. We point out that the Luttinger model does not respect the spin conservation since it assumes the infinite Fermi sea. We propose a proper cutoff to correct this failure.

Electronic self-organization in the single-layer manganite $$\\rm Pr_{1-x}Ca_{1+x}MnO4$$

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

Ye, Feng; Chi, Songxue; Fernandez-Baca, Jaime A

We use neutron scattering to investigate the doping evolution of the magnetic correlations in the single-layer manganitemore » $$\\rm Pr_{\\it 1-x}Ca_{\\it 1+x}MnO_4$$, away from the $x=0.5$ composition where the CE-type commensurate antiferromagnetic (AF) structure is stable. We find that short-range incommensurate spin correlations develop as the system is electron doped ($x<0.5$), which coexist with the CE-type AF order. This suggests that electron doping in this system induces an inhomogeneous electronic self-organization, where commensurate AF patches with $x=0.5$ are separated by electron-rich domain walls with short range magnetic correlations. This behavior is strikingly different than for the three-dimensional $$\\rm Pr_{\\it 1-x}Ca_{\\it x}MnO_3$$, where the long-range CE-type commensurate AF structure is stable over a wide range of electron or hole doping around $x=0.5$.« less

Two-dimensional superconductivity induced by high-mobility carrier doping in LaTiO3/SrTiO3 hetero-structures

NASA Astrophysics Data System (ADS)

Biscaras, Johan; Hurand, S.; Palma, C.; Lesueur, J.; Bergeal, N.; Leboeuf, D.; Proust, C.; Rastogi, A.; Budhani, R. C.

2013-03-01

Transition metal oxides display a great variety of quantum electronic behaviors where correlations often play an important role. The achievement of high quality epitaxial interfaces involving such materials gives a unique opportunity to engineer artificial materials where new electronic orders take place. It has been shown recently that a two-dimensional electron gas 2DEG could form at the interface of two insulators such as LaAlO3 and SrTiO3, or LaTiO3 (a Mott insulator) and SrTiO3. We show that a superconducting two-dimensional electron gas is formed at the LaTiO3/SrTiO3 interface whose properties can be modulated by field effect using a metallic gate on the back of the substrate. The gas consists of two types of carriers : a majority of low-mobility carriers always present, and a few high-mobility ones that can be injected by electrostatic doping. The calculation of the electrons spatial distribution in the confinement potential shows that the high-mobility electrons responsible for superconductivity set at the edge of the gas whose extension can be tuned by field effect.

Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

NASA Astrophysics Data System (ADS)

Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

2017-12-01

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

Dimensionality-strain phase diagram of strontium iridates superlattices

NASA Astrophysics Data System (ADS)

Kim, Bongjae; Liu, Peitao; Franchini, Cesare

Using ab initio approach, we study the electronic and magnetic behavior of strontium iridates as a function of dimensionality and epitaxial strain by employing a (SrIrO3)m/(SrTiO3) superlattice structure. We quantitatively evaluate the dimensional and strain-dependent change of the interaction parameters U and J using the constraint random phase approximation and construct a comprehensive phase diagram describing the evolution of the electronic and magnetic ground state upon strain and dimensionality. We find that compressive strain and increasing the dimensionality perturb the insulating relativistic Mott Jeff = 1 / 2 state, a characteristic of the m = 1 system, and induce two distinct types of insulator-to-metal transition (IMT) that can be explained from the entanglement of U and the bandwidth of the Ir-t2 g manifold. The IMTs are associated with distinctive changes of the spin ordering manifested by spin-flop transitions, correlated with the modulation of the interlayer exchange interaction, and with a complete quenching of any spin-ordered state in the m -> ∞ limit. The fundamental origin of these electronic and magnetic transitions will be discussed and compared with the corresponding situation in the Ruddlesden-Popper series.

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.

Topological electronic liquids: Electronic physics of one dimension beyond the one spatial dimension

NASA Astrophysics Data System (ADS)

Wiegmann, P. B.

1999-06-01

There is a class of electronic liquids in dimensions greater than 1 that shows all essential properties of one-dimensional electronic physics. These are topological liquids-correlated electronic systems with a spectral flow. Compressible topological electronic liquids are superfluids. In this paper we present a study of a conventional model of a topological superfluid in two spatial dimensions. This model is thought to be relevant to a doped Mott insulator. We show how the spectral flow leads to the superfluid hydrodynamics and how the orthogonality catastrophe affects off-diagonal matrix elements. We also compute the major electronic correlation functions. Among them are the spectral function, the pair wave function, and various tunneling amplitudes. To compute correlation functions we develop a method of current algebra-an extension of the bosonization technique of one spatial dimension. In order to emphasize a similarity between electronic liquids in one dimension and topological liquids in dimensions greater than 1, we first review the Fröhlich-Peierls mechanism of ideal conductivity in one dimension and then extend the physics and the methods into two spatial dimensions.

Topological Excitations of One-Dimensional Correlated Electron Systems

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

Salkola, M.I.; Schrieffer, J.R.; Salkola, M.I.

1999-02-01

Elementary, low-energy excitations are examined by bosonization in one-dimensional systems with quasi-long-range order. A new, independently measurable attribute is introduced to describe such excitations. It is defined as a number w which determines how many times the phase of the order parameter winds as an excitation is transposed from far left to far right. The winding number is zero for electrons and holes with conventional quantum numbers, but it acquires a nontrivial value w=1 for neutral spin- (1) /(2) excitations and for spinless excitations with a unit electron charge. It may even be irrational, if the charge is irrational. Thus,more » these excitations are topological. {copyright} {ital 1999} {ital The American Physical Society }« less

Atomic Scale Control of Competing Electronic Phases in Ultrathin Correlated Oxides

NASA Astrophysics Data System (ADS)

Shen, Kyle

2015-03-01

Ultrathin epitaxial thin films offer a number of unique advantages for engineering the electronic properties of correlated transition metal oxides. For example, atomically thin films can be synthesized to artificially confine electrons in two dimensions. Furthermore, using a substrate with a mismatched lattice constant can impose large biaxial strains of larger than 3% (Δa / a), much larger than can achieved in bulk single crystals. Since these dimensionally confined or strained systems may necessarily be less than a few unit cells thick, investigating their properties and electronic structure can be particularly challenging. We employ a combination of reactive oxide molecular beam epitaxy (MBE) and angle-resolved photoemission spectroscopy (ARPES) to investigate how dimensional confinement and epitaxial strain can be used to manipulate electronic properties and structure in correlated transition metal oxide thin films. We describe some of our recent work manipulating and studying the electronic structure of ultrathin LaNiO3 through a thickness-driven metal-insulator transition between three and two unit cells (Nature Nanotechnology 9, 443, 2014), where coherent Fermi liquid-like quasiparticles are suppressed at the metal-insulator transition observed in transport. We also will describe some recent unpublished work using epitaxial strain to drive a Lifshitz transition in atomically thin films of the spin-triplet ruthenate superconductor Sr2RuO4, where we also can dramatically alter the quasiparticle scattering rates and drive the system towards non-Fermi liquid behavior near the critical point (B. Burganov, C. Adamo, in preparation). Funding provided by the Office of Naval Research and Air Force Office of Scientific Research.

Effects of structural spin-orbit coupling in two dimensional electron and hole liquids

NASA Astrophysics Data System (ADS)

Chesi, Stefano

The recent interest in spin-dependent phenomena in semiconductor heterostructures motivates our detailed study of the structural spin-orbit coupling present in clean two-dimensional electron and hole liquids. Interesting polarization effects are produced in a system out of equilibrium, as when a finite current flows in the sample. In particular, the consequences of a lateral confinement creating a quasi one-dimensional wire are studied in detail, partially motivated by a recent experimental investigation of the point-contact transmission for two-dimensional holes. We also address the role of the electron-electron interaction in the presence of spin-orbit coupling, which has received little attention in the literature. We discuss the formulation of the Hartree-Fock approximation in the particular case of linear Rashba spin-orbit. We establish the form of the mean-field phase diagram in the homogeneous case, which shows a complex interplay between paramagnetic and ferromagnetic states. The latter can be polarized in the plane or in a transverse direction, and are characterized by a complex spin structure and nontrivial occupation. The generality of the Hartree-Fock method allows a simple treatment of the Pauli spin susceptibility, and the application to different forms of spin-orbit coupling. Correlation corrections can be obtained in an analytic form for particular asymptotic regimes. For linear Rashba spin-orbit we identified the relevance of the large spin-orbit limit, dominated by many-body effects, and explicitly treated the high density limit, in which the system is asymptotically noninteracting. As a special case, we derive a new exact formula for the polarization dependence of the ring-diagram correlation energy.

Dimensionality Controlled Octahedral Symmetry-Mismatch and Functionalities in Epitaxial LaCoO₃/SrTiO₃ Heterostructures.

PubMed

Qiao, Liang; Jang, Jae Hyuck; Singh, David J; Gai, Zheng; Xiao, Haiyan; Mehta, Apurva; Vasudevan, Rama K; Tselev, Alexander; Feng, Zhenxing; Zhou, Hua; Li, Sean; Prellier, Wilfrid; Zu, Xiaotao; Liu, Zijiang; Borisevich, Albina; Baddorf, Arthur P; Biegalski, Michael D

2015-07-08

Epitaxial strain provides a powerful approach to manipulate physical properties of materials through rigid compression or extension of their chemical bonds via lattice-mismatch. Although symmetry-mismatch can lead to new physics by stabilizing novel interfacial structures, challenges in obtaining atomic-level structural information as well as lack of a suitable approach to separate it from the parasitical lattice-mismatch have limited the development of this field. Here, we present unambiguous experimental evidence that the symmetry-mismatch can be strongly controlled by dimensionality and significantly impact the collective electronic and magnetic functionalities in ultrathin perovskite LaCoO3/SrTiO3 heterojunctions. State-of-art diffraction and microscopy reveal that symmetry breaking dramatically modifies the interfacial structure of CoO6 octahedral building-blocks, resulting in expanded octahedron volume, reduced covalent screening, and stronger electron correlations. Such phenomena fundamentally alter the electronic and magnetic behaviors of LaCoO3 thin-films. We conclude that for epitaxial systems, correlation strength can be tuned by changing orbital hybridization, thus affecting the Coulomb repulsion, U, instead of by changing the band structure as the common paradigm in bulks. These results clarify the origin of magnetic ordering for epitaxial LaCoO3 and provide a route to manipulate electron correlation and magnetic functionality by orbital engineering at oxide heterojunctions.

Correlative multi-scale characterization of a fine grained Nd-Fe-B sintered magnet.

PubMed

Sasaki, T T; Ohkubo, T; Hono, K; Une, Y; Sagawa, M

2013-09-01

The Nd-rich phases in pressless processed fine grained Nd-Fe-B sintered magnets have been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and three dimensional atom probe tomography (3DAP). The combination of the backscattered electron (BSE) and in-lens secondary electron (IL-SE) images in SEM led to an unambiguous identification of four types of Nd-rich phases, NdOx, Ia3 type phase, which is isostructural to Nd₂O₃, dhcp-Nd and Nd₁Fe₄B₄. In addition, the 3DAP analysis of thin Nd-rich grain boundary layer indicate that the coercivity has a close correlation with the chemistry of the grain boundary phase. Copyright © 2013 Elsevier B.V. All rights reserved.

Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces

PubMed Central

Grisolia, M.N.; Arora, A.; Valencia, S.; Varela, M.; Abrudan, R.; Weschke, E.; Schierle, E.; Rault, J.E.; Rueff, J.-P.; Barthélémy, A.; Santamaria, J.; Bibes, M.

2015-01-01

At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed valence has led to the discovery of novel two-dimensional states between simple band insulators such as LaAlO3 and SrTiO3. However, many oxides have a more complex electronic structure, with charge, orbital and/or spin orders arising from strong Coulomb interactions between transition metal and oxygen ions. Such electronic correlations offer a rich playground to engineer functional interfaces but their compatibility with the classical band alignment picture remains an open question. Here we show that beyond differences in electron affinities and polar effects, a key parameter determining charge transfer at correlated oxide interfaces is the energy required to alter the covalence of the metal-oxygen bond. Using the perovskite nickelate (RNiO3) family as a template, we probe charge reconstruction at interfaces with gadolinium titanate GdTiO3. X-ray absorption spectroscopy shows that the charge transfer is thwarted by hybridization effects tuned by the rare-earth (R) size. Charge transfer results in an induced ferromagnetic-like state in the nickelate, exemplifying the potential of correlated interfaces to design novel phases. Further, our work clarifies strategies to engineer two-dimensional systems through the control of both doping and covalence. PMID:27158255

Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces

NASA Astrophysics Data System (ADS)

Grisolia, M. N.; Varignon, J.; Sanchez-Santolino, G.; Arora, A.; Valencia, S.; Varela, M.; Abrudan, R.; Weschke, E.; Schierle, E.; Rault, J. E.; Rueff, J.-P.; Barthélémy, A.; Santamaria, J.; Bibes, M.

2016-05-01

At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed valence has led to the discovery of novel two-dimensional states between simple band insulators such as LaAlO3 and SrTiO3. However, many oxides have a more complex electronic structure, with charge, orbital and/or spin orders arising from strong Coulomb interactions at and between transition metal and oxygen ions. Such electronic correlations offer a rich playground to engineer functional interfaces but their compatibility with the classical band alignment picture remains an open question. Here we show that beyond differences in electron affinities and polar effects, a key parameter determining charge transfer at correlated oxide interfaces is the energy required to alter the covalence of the metal-oxygen bond. Using the perovskite nickelate (RNiO3) family as a template, we probe charge reconstruction at interfaces with gadolinium titanate GdTiO3. X-ray absorption spectroscopy shows that the charge transfer is thwarted by hybridization effects tuned by the rare-earth (R) size. Charge transfer results in an induced ferromagnetic-like state in the nickelate, exemplifying the potential of correlated interfaces to design novel phases. Further, our work clarifies strategies to engineer two-dimensional systems through the control of both doping and covalence.

Relaxation of photoexcitations in polaron-induced magnetic microstructures

NASA Astrophysics Data System (ADS)

Köhler, Thomas; Rajpurohit, Sangeeta; Schumann, Ole; Paeckel, Sebastian; Biebl, Fabian R. A.; Sotoudeh, Mohsen; Kramer, Stephan C.; Blöchl, Peter E.; Kehrein, Stefan; Manmana, Salvatore R.

2018-06-01

We investigate the evolution of a photoexcitation in correlated materials over a wide range of time scales. The system studied is a one-dimensional model of a manganite with correlated electron, spin, orbital, and lattice degrees of freedom, which we relate to the three-dimensional material Pr1 -xCaxMnO3 . The ground-state phases for the entire composition range are determined and rationalized by a coarse-grained polaron model. At half doping a pattern of antiferromagnetically coupled Zener polarons is realized. Using time-dependent density-matrix renormalization group (tDMRG), we treat the electronic quantum dynamics following the excitation. The emergence of quasiparticles is addressed, and the relaxation of the nonequilibrium quasiparticle distribution is investigated via a linearized quantum-Boltzmann equation. Our approach shows that the magnetic microstructure caused by the Zener polarons leads to an increase of the relaxation times of the excitation.

Observation of a three-dimensional quasi-long-range electronic supermodulation in YBa 2Cu 3O 7-x/La 0.7Ca 0.3MnO 3 heterostructures

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

He, Junfeng; Shafer, Padraic; Mion, Thomas R.

Recent developments in high-temperature superconductivity highlight a generic tendency of the cuprates to develop competing electronic (charge) supermodulations. While coupled with the lattice and showing different characteristics in different materials, these supermodulations themselves are generally conceived to be quasi-two-dimensional, residing mainly in individual CuO 2 planes, and poorly correlated along the c axis. Here we observed with resonant elastic X-ray scattering a distinct type of electronic supermodulation in YBa 2Cu 3O 7–x (YBCO) thin films grown epitaxially on La 0.7Ca 0.3MnO 3 (LCMO). This supermodulation has a periodicity nearly commensurate with four lattice constants in-plane, eight out of plane, withmore » long correlation lengths in three dimensions. It sets in far above the superconducting transition temperature and competes with superconductivity below this temperature for electronic states predominantly in the CuO 2 plane. Our finding sheds light on the nature of charge ordering in cuprates as well as a reported long-range proximity effect between superconductivity and ferromagnetism in YBCO/LCMO heterostructures.« less

Electronic structure and orientation relationship of Li nanoclusters embedded in MgO studied by depth-selective positron annihilation two-dimensional angular correlation

NASA Astrophysics Data System (ADS)

Falub, C. V.; Mijnarends, P. E.; Eijt, S. W.; van Huis, M. A.; van Veen, A.; Schut, H.

2002-08-01

Quantum-confined positrons are sensitive probes for determining the electronic structure of nanoclusters embedded in materials. In this work, a depth-selective positron annihilation 2D-ACAR (two-dimensional angular correlation of annihilation radiation) method is used to determine the electronic structure of Li nanoclusters formed by implantation of 1016-cm-2 30-keV 6Li ions in MgO (100) and (110) crystals and by subsequent annealing at 950 K. Owing to the difference between the positron affinities of lithium and MgO, the Li nanoclusters act as quantum dots for positrons. 2D-ACAR distributions for different projections reveal a semicoherent fitting of the embedded metallic Li nanoclusters to the host MgO lattice. Ab initio Korringa-Kohn-Rostoker calculations of the momentum density show that the anisotropies of the experimental distributions are consistent with an fcc crystal structure of the Li nanoclusters. The observed reduction of the width of the experimental 2D-ACAR distribution is attributed to positron trapping in vacancies associated with Li clusters. This work proposes a method for studying the electronic structure of metallic quantum dots embedded in an insulating material.

Observation of a three-dimensional quasi-long-range electronic supermodulation in YBa 2Cu 3O 7-x/La 0.7Ca 0.3MnO 3 heterostructures

DOE PAGES

He, Junfeng; Shafer, Padraic; Mion, Thomas R.; ...

2016-03-01

Recent developments in high-temperature superconductivity highlight a generic tendency of the cuprates to develop competing electronic (charge) supermodulations. While coupled with the lattice and showing different characteristics in different materials, these supermodulations themselves are generally conceived to be quasi-two-dimensional, residing mainly in individual CuO 2 planes, and poorly correlated along the c axis. Here we observed with resonant elastic X-ray scattering a distinct type of electronic supermodulation in YBa 2Cu 3O 7–x (YBCO) thin films grown epitaxially on La 0.7Ca 0.3MnO 3 (LCMO). This supermodulation has a periodicity nearly commensurate with four lattice constants in-plane, eight out of plane, withmore » long correlation lengths in three dimensions. It sets in far above the superconducting transition temperature and competes with superconductivity below this temperature for electronic states predominantly in the CuO 2 plane. Our finding sheds light on the nature of charge ordering in cuprates as well as a reported long-range proximity effect between superconductivity and ferromagnetism in YBCO/LCMO heterostructures.« less

Charge and spin in low-dimensional cuprates

NASA Astrophysics Data System (ADS)

Maekawa, Sadamichi; Tohyama, Takami

2001-03-01

One of the central issues in the study of high-temperature superconducting cuprates which are composed of two-dimensional (2D) CuO2 planes is whether the 2D systems with strong electron correlation behave as a Fermi liquid or a non-Fermi-liquid-like one-dimensional (1D) system with electron correlation. In this article, we start with the detailed examination of the electronic structure in cuprates and study theoretically the spin and charge dynamics in 1D and 2D cuprates. The theoretical background of spin-charge separation in the 1D model systems including the Hubbard and t-J models is presented. The first direct observation of collective modes of spin and charge excitations in a 1D cuprate, which are called spinons and holons respectively, in angle-resolved photoemission spectroscopy (ARPES) experiments is reviewed in the light of the theoretical results based on the numerically exact-diagonalization method. The charge and spin dynamics in 1D insulating cuprates is also discussed in connection with the spin-charge separation. The arguments are extended to the 2D cuprates, and the unique aspects of the electronic properties of high-temperature superconductors are discussed. Special emphasis is placed on the d-wave-like excitations in insulating 2D cuprates observed in ARPES experiments. We explain how the excitations are caused by the spin-charge separation. The charge stripes observed in the underdoped cuprates are examined in connection with spin-charge separation in real space.

Probing quasi-one-dimensional band structures by plasmon spectroscopy

NASA Astrophysics Data System (ADS)

Lichtenstein, T.; Mamiyev, Z.; Braun, C.; Sanna, S.; Schmidt, W. G.; Tegenkamp, C.; Pfnür, H.

2018-04-01

The plasmon dispersion is inherently related to the continuum of electron-hole pair excitations. Therefore, the comparison of this continuum, as derived from band structure calculations, with experimental data of plasmon dispersion, can yield direct information about the form of the occupied as well as the unoccupied band structure in the vicinity of the Fermi level. The relevance of this statement is illustrated by a detailed analysis of plasmon dispersions in quasi-one-dimensional systems combining experimental electron energy loss spectroscopy with quantitative density-functional theory (DFT) calculations. Si(557)-Au and Si(335)-Au with single atomic chains per terrace are compared with the Si(775)-Au system, which has a double Au chain on each terrace. We demonstrate that both hybridization between Si surface states and the Au chains as well as electronic correlations lead to increasing deviations from the nearly free electron picture that is suggested by a too simple interpretation of data of angular resolved photoemission (ARPES) of these systems, particularly for the double chain system. These deviations are consistently predicted by the DFT calculations. Thus also dimensional crossover can be explained.

Bandgap Inhomogeneity of a PbSe Quantum Dot Ensemble from Two-Dimensional Spectroscopy and Comparison to Size Inhomogeneity from Electron Microscopy

DOE PAGES

Park, Samuel D.; Baranov, Dmitry; Ryu, Jisu; ...

2017-01-03

Femtosecond two-dimensional Fourier transform spectroscopy is used to determine the static bandgap inhomogeneity of a colloidal quantum dot ensemble. The excited states of quantum dots absorb light, so their absorptive two-dimensional (2D) spectra will typically have positive and negative peaks. We show that the absorption bandgap inhomogeneity is robustly determined by the slope of the nodal line separating positive and negative peaks in the 2D spectrum around the bandgap transition; this nodal line slope is independent of excited state parameters not known from the absorption and emission spectra. The absorption bandgap inhomogeneity is compared to a size and shape distributionmore » determined by electron microscopy. The electron microscopy images are analyzed using new 2D histograms that correlate major and minor image projections to reveal elongated nanocrystals, a conclusion supported by grazing incidence small-angle X-ray scattering and high-resolution transmission electron microscopy. Lastly, the absorption bandgap inhomogeneity quantitatively agrees with the bandgap variations calculated from the size and shape distribution, placing upper bounds on any surface contributions.« less

Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr2IrO4.

PubMed

Dean, M P M; Cao, Y; Liu, X; Wall, S; Zhu, D; Mankowsky, R; Thampy, V; Chen, X M; Vale, J G; Casa, D; Kim, Jungho; Said, A H; Juhas, P; Alonso-Mori, R; Glownia, J M; Robert, A; Robinson, J; Sikorski, M; Song, S; Kozina, M; Lemke, H; Patthey, L; Owada, S; Katayama, T; Yabashi, M; Tanaka, Yoshikazu; Togashi, T; Liu, J; Rayan Serrao, C; Kim, B J; Huber, L; Chang, C-L; McMorrow, D F; Först, M; Hill, J P

2016-06-01

Measuring how the magnetic correlations evolve in doped Mott insulators has greatly improved our understanding of the pseudogap, non-Fermi liquids and high-temperature superconductivity. Recently, photo-excitation has been used to induce similarly exotic states transiently. However, the lack of available probes of magnetic correlations in the time domain hinders our understanding of these photo-induced states and how they could be controlled. Here, we implement magnetic resonant inelastic X-ray scattering at a free-electron laser to directly determine the magnetic dynamics after photo-doping the Mott insulator Sr2IrO4. We find that the non-equilibrium state, 2 ps after the excitation, exhibits strongly suppressed long-range magnetic order, but hosts photo-carriers that induce strong, non-thermal magnetic correlations. These two-dimensional (2D) in-plane Néel correlations recover within a few picoseconds, whereas the three-dimensional (3D) long-range magnetic order restores on a fluence-dependent timescale of a few hundred picoseconds. The marked difference in these two timescales implies that the dimensionality of magnetic correlations is vital for our understanding of ultrafast magnetic dynamics.

Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

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

Kocharian, Armen N.; Fernando, Gayanath W.; Fang, Kun

Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges andmore » opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.« less

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

Mcdonald, Ross David

The alkali-doped fullerides provide the first example of a transition from a three-dimensional Mott insulator to a superconductor, enabling the effects of both dimensionality and electron correlation on superconductivity to be explored. Chemically the alkali species tunes the superconductivity in the vicinity of the the Mott transition via sample volume. Measuring the relationship between the superconducting transition temperature and upper critical field reveals a crossover from weak- to strong-coupling associated with the dynamical Jahn–Teller effect as the Mott transition is approached. The use of pulsed magnets is required because the upper critical field is enhanced in the vicinity of themore » Mott insulating phase, reaching 90 T for RbxCs3-xC60 — the highest among cubic crystals. This required close collaboration between Prof Kasahara’s group and the Mag Lab to design rf-measurements compatible with sample encapsulation in an inert atmosphere. The concomitant increase of pairing strength with lattice volume near the Mott transition suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity (with high-T C and high-H C2).« less

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

NASA Astrophysics Data System (ADS)

Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

2016-05-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Role of temperature on static correlational properties in a spin-polarized electron gas

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

Arora, Priya; Moudgil, R. K., E-mail: rkmoudgil@kuk.ac.in; Kumar, Krishan

We have studied the effect of temperature on the static correlational properties of a spin-polarized three-dimensional electron gas (3DEG) over a wide coupling and temperature regime. This problem has been very recently studied by Brown et al. using the restricted path-integral Monte Carlo (RPIMC) technique in the warm-dense regime. To this endeavor, we have used the finite temperature version of the dynamical mean-field theory of Singwi et al, the so-called quantum STLS (qSTLS) approach. The static density structure factor and the static pair-correlation function are calculated, and compared with the RPIMC simulation data. We find an excellent agreement with themore » simulation at high temperature over a wide coupling range. However, the agreement is seen to somewhat deteriorate with decreasing temperature. The pair-correlation function is found to become small negative for small electron separation. This may be attributed to the inadequacy of the mean-field theory in dealing with the like spin electron correlations in the strong-coupling domain. A nice agreement with RPIMC data at high temperature seems to arise due to weakening of both the exchange and coulomb correlations with rising temperature.« less

Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.

PubMed

Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

2014-03-01

ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to off resonance effects and/or nuclear relaxation effects. These results suggest that the 2D-EDNMR experiment can be also useful for relaxation pathway studies. Finally we present preliminary results demonstrating that 2D-EDNMR can resolve overlapping (33)S and (14)N signals of type 1 Cu(II) center in (33)S enriched Azurin. Copyright © 2014 Elsevier Inc. All rights reserved.

Effects of chirp on two-dimensional Fourier transform electronic spectra.

PubMed

Tekavec, Patrick F; Myers, Jeffrey A; Lewis, Kristin L M; Fuller, Franklin D; Ogilvie, Jennifer P

2010-05-24

We examine the effect that pulse chirp has on the shape of two- dimensional electronic spectra through calculations and experiments. For the calculations we use a model two electronic level system with a solvent interaction represented by a simple Gaussian correlation function and compare the resulting spectra to experiments carried out on an organic dye molecule (Rhodamine 800). Both calculations and experiments show that distortions due to chirp are most significant when the pulses used in the experiment have different amounts of chirp, introducing peak shape asymmetry that could be interpreted as spectrally dependent relaxation. When all pulses have similar chirp the distortions are reduced but still affect the anti-diagonal symmetry of the peak shapes and introduce negative features that could be interpreted as excited state absorption.

Ultrafast dynamics of defect-assisted electron-hole recombination in monolayer MoS2.

PubMed

Wang, Haining; Zhang, Changjian; Rana, Farhan

2015-01-14

In this Letter, we present nondegenerate ultrafast optical pump-probe studies of the carrier recombination dynamics in MoS2 monolayers. By tuning the probe to wavelengths much longer than the exciton line, we make the probe transmission sensitive to the total population of photoexcited electrons and holes. Our measurement reveals two distinct time scales over which the photoexcited electrons and holes recombine; a fast time scale that lasts ∼ 2 ps and a slow time scale that lasts longer than ∼ 100 ps. The temperature and the pump fluence dependence of the observed carrier dynamics are consistent with defect-assisted recombination as being the dominant mechanism for electron-hole recombination in which the electrons and holes are captured by defects via Auger processes. Strong Coulomb interactions in two-dimensional atomic materials, together with strong electron and hole correlations in two-dimensional metal dichalcogenides, make Auger processes particularly effective for carrier capture by defects. We present a model for carrier recombination dynamics that quantitatively explains all features of our data for different temperatures and pump fluences. The theoretical estimates for the rate constants for Auger carrier capture are in good agreement with the experimentally determined values. Our results underscore the important role played by Auger processes in two-dimensional atomic materials.

Web life: Gravity and Levity

NASA Astrophysics Data System (ADS)

2016-06-01

Gravity and Levity is the personal blog of Brian Skinner, a theoretical condensed-matter physicist who began it back in 2009, when he was a PhD student at the University of Minnesota, US. He's now a postdoc at the Massachusetts Institute of Technology, where his research focuses on the behaviour of strongly correlated electronic systems, such as low-dimensional electron gases and materials such as graphene.

Electrostatic modulation of periodic potentials in a two-dimensional electron gas: From antidot lattice to quantum dot lattice

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

Goswami, Srijit; Aamir, Mohammed Ali; Shamim, Saquib

2013-12-04

We use a dual gated device structure to introduce a gate-tuneable periodic potential in a GaAs/AlGaAs two dimensional electron gas (2DEG). Using only a suitable choice of gate voltages we can controllably alter the potential landscape of the bare 2DEG, inducing either a periodic array of antidots or quantum dots. Antidots are artificial scattering centers, and therefore allow for a study of electron dynamics. In particular, we show that the thermovoltage of an antidot lattice is particularly sensitive to the relative positions of the Fermi level and the antidot potential. A quantum dot lattice, on the other hand, provides themore » opportunity to study correlated electron physics. We find that its current-voltage characteristics display a voltage threshold, as well as a power law scaling, indicative of collective Coulomb blockade in a disordered background.« less

Correlative cryo-fluorescence light microscopy and cryo-electron tomography of Streptomyces.

PubMed

Koning, Roman I; Celler, Katherine; Willemse, Joost; Bos, Erik; van Wezel, Gilles P; Koster, Abraham J

2014-01-01

Light microscopy and electron microscopy are complementary techniques that in a correlative approach enable identification and targeting of fluorescently labeled structures in situ for three-dimensional imaging at nanometer resolution. Correlative imaging allows electron microscopic images to be positioned in a broader temporal and spatial context. We employed cryo-correlative light and electron microscopy (cryo-CLEM), combining cryo-fluorescence light microscopy and cryo-electron tomography, on vitrified Streptomyces bacteria to study cell division. Streptomycetes are mycelial bacteria that grow as long hyphae and reproduce via sporulation. On solid media, Streptomyces subsequently form distinct aerial mycelia where cell division leads to the formation of unigenomic spores which separate and disperse to form new colonies. In liquid media, only vegetative hyphae are present divided by noncell separating crosswalls. Their multicellular life style makes them exciting model systems for the study of bacterial development and cell division. Complex intracellular structures have been visualized with transmission electron microscopy. Here, we describe the methods for cryo-CLEM that we applied for studying Streptomyces. These methods include cell growth, fluorescent labeling, cryo-fixation by vitrification, cryo-light microscopy using a Linkam cryo-stage, image overlay and relocation, cryo-electron tomography using a Titan Krios, and tomographic reconstruction. Additionally, methods for segmentation, volume rendering, and visualization of the correlative data are described. © 2014 Elsevier Inc. All rights reserved.

Role of cooperative structural distortions in the metal--insulator transitions of perovskite ferrates

NASA Astrophysics Data System (ADS)

Cammarata, Antonio; Rondinelli, James

2012-02-01

Transition-metal oxides within the perovskite crystal family exhibit strong electron--electron correlation effects that coexist with complex structural distortions, leading to metal-insulator (MI) transitions. Using first-principles density functional calculations, we investigate the effects of cooperative octahedral rotations and dilations/contractions on the charge-ordering MI-transition in CaFeO3. By calculating the evolution in the lattice phonons, which describe the different octahedral distortions present in the low-symmetry monoclinic phase of CaFeO3 with increasing electron correlation, we show that the MI-transition results from a complex interplay between these modes and correlation effects. We combine this study with group theoretical tools to disentangle the electron--lattice interactions by computing the evolution in the low-energy electronic band structure with the lattice phonons, demonstrating the MI-transition in CaFeO3 proceeds through a symmetry-lowering transition driven by a cooperative three-dimensional octahedral dilation/contraction pattern. Finally, we suggest a possible route by which to control the charge ordering by fine-tuning the electron--lattice coupling.

Effects of G-Quadruplex Topology on Electronic Transfer Integrals

PubMed Central

Sun, Wenming; Varsano, Daniele; Di Felice, Rosa

2016-01-01

G-quadruplex is a quadruple helical form of nucleic acids that can appear in guanine-rich parts of the genome. The basic unit is the G-tetrad, a planar assembly of four guanines connected by eight hydrogen bonds. Its rich topology and its possible relevance as a drug target for a number of diseases have stimulated several structural studies. The superior stiffness and electronic π-π overlap between consecutive G-tetrads suggest exploitation for nanotechnologies. Here we inspect the intimate link between the structure and the electronic properties, with focus on charge transfer parameters. We show that the electronic couplings between stacked G-tetrads strongly depend on the three-dimensional atomic structure. Furthermore, we reveal a remarkable correlation with the topology: a topology characterized by the absence of syn-anti G-G sequences can better support electronic charge transfer. On the other hand, there is no obvious correlation of the electronic coupling with usual descriptors of the helix shape. We establish a procedure to maximize the correlation with a global helix shape descriptor. PMID:28335314

Phonon-induced localization of electron states in quasi-one-dimensional systems

NASA Astrophysics Data System (ADS)

Xiong, Ye

2007-02-01

It is shown that hot phonons with random phases can cause localization of electron states in quasi-one-dimensional systems. Owing to the nature of long-range correlation of the disorder induced by phonons, only the states at edges of one-dimensional (1D) subbands are localized, and the states inside the 1D subbands are still extended. As a result, the conductance exhibits gradual quantum steps in varying the gate potential. By increasing the temperature the degree of localization increases. In the localization regime the distribution of Lyapunov exponent (LE) is Gaussian and the relation of the mean-value and standard variance of LE to the system size obeys the single-parameter hypothesis. The mean value of LE can be used as an order parameter to distinguish the local and extended states.

Correlating electronic transport to atomic structures in self-assembled quantum wires.

PubMed

Qin, Shengyong; Kim, Tae-Hwan; Zhang, Yanning; Ouyang, Wenjie; Weitering, Hanno H; Shih, Chih-Kang; Baddorf, Arthur P; Wu, Ruqian; Li, An-Ping

2012-02-08

Quantum wires, as a smallest electronic conductor, are expected to be a fundamental component in all quantum architectures. The electronic conductance in quantum wires, however, is often dictated by structural instabilities and electron localization at the atomic scale. Here we report on the evolutions of electronic transport as a function of temperature and interwire coupling as the quantum wires of GdSi(2) are self-assembled on Si(100) wire-by-wire. The correlation between structure, electronic properties, and electronic transport are examined by combining nanotransport measurements, scanning tunneling microscopy, and density functional theory calculations. A metal-insulator transition is revealed in isolated nanowires, while a robust metallic state is obtained in wire bundles at low temperature. The atomic defects lead to electron localizations in isolated nanowire, and interwire coupling stabilizes the structure and promotes the metallic states in wire bundles. This illustrates how the conductance nature of a one-dimensional system can be dramatically modified by the environmental change on the atomic scale. © 2012 American Chemical Society

Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface.

PubMed

Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner

2013-01-01

Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about 'melted' phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic 'shadow bands' induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.

Metal-superconductor transition in low-dimensional superconducting clusters embedded in two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Bucheli, D.; Caprara, S.; Castellani, C.; Grilli, M.

2013-02-01

Motivated by recent experimental data on thin film superconductors and oxide interfaces, we propose a random-resistor network apt to describe the occurrence of a metal-superconductor transition in a two-dimensional electron system with disorder on the mesoscopic scale. We consider low-dimensional (e.g. filamentary) structures of a superconducting cluster embedded in the two-dimensional network and we explore the separate effects and the interplay of the superconducting structure and of the statistical distribution of local critical temperatures. The thermal evolution of the resistivity is determined by a numerical calculation of the random-resistor network and, for comparison, a mean-field approach called effective medium theory (EMT). Our calculations reveal the relevance of the distribution of critical temperatures for clusters with low connectivity. In addition, we show that the presence of spatial correlations requires a modification of standard EMT to give qualitative agreement with the numerical results. Applying the present approach to an LaTiO3/SrTiO3 oxide interface, we find that the measured resistivity curves are compatible with a network of spatially dense but loosely connected superconducting islands.

Photoemission study of the electronic structure and charge density waves of Na₂Ti₂Sb₂O

DOE PAGES

Tan, S. Y.; Jiang, J.; Ye, Z. R.; ...

2015-04-30

The electronic structure of Na₂Ti₂Sb₂O single crystal is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The obtained band structure and Fermi surface agree well with the band structure calculation of Na₂Ti₂Sb₂O in the non-magnetic state, which indicates that there is no magnetic order in Na₂Ti₂Sb₂O and the electronic correlation is weak. Polarization dependent ARPES results suggest the multi-band and multi-orbital nature of Na₂Ti₂Sb₂O. Photon energy dependent ARPES results suggest that the electronic structure of Na₂Ti₂Sb₂O is rather two-dimensional. Moreover, we find a density wave energy gap forms below the transition temperature and reaches 65 meV atmore » 7 K, indicating that Na₂Ti₂Sb₂O is likely a weakly correlated CDW material in the strong electron-phonon interaction regime. (author)« less

Tight-binding model of the photosystem II reaction center: application to two-dimensional electronic spectroscopy

NASA Astrophysics Data System (ADS)

Gelzinis, Andrius; Valkunas, Leonas; Fuller, Franklin D.; Ogilvie, Jennifer P.; Mukamel, Shaul; Abramavicius, Darius

2013-07-01

We propose an optimized tight-binding electron-hole model of the photosystem II (PSII) reaction center (RC). Our model incorporates two charge separation pathways and spatial correlations of both static disorder and fast fluctuations of energy levels. It captures the main experimental features observed in time-resolved two-dimensional (2D) optical spectra at 77 K: peak pattern, lineshapes and time traces. Analysis of 2D spectra kinetics reveals that specific regions of the 2D spectra of the PSII RC are sensitive to the charge transfer states. We find that the energy disorder of two peripheral chlorophylls is four times larger than the other RC pigments.

Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen

DOE PAGES

Zhao, Xin; Liu, Jun; Yao, Yong-Xin; ...

2018-01-23

Developing accurate and computationally efficient methods to calculate the electronic structure and total energy of correlated-electron materials has been a very challenging task in condensed matter physics and materials science. Recently, we have developed a correlation matrix renormalization (CMR) method which does not assume any empirical Coulomb interaction U parameters and does not have double counting problems in the ground-state total energy calculation. The CMR method has been demonstrated to be accurate in describing both the bonding and bond breaking behaviors of molecules. In this study, we extend the CMR method to the treatment of electron correlations in periodic solidmore » systems. By using a linear hydrogen chain as a benchmark system, we show that the results from the CMR method compare very well with those obtained recently by accurate quantum Monte Carlo (QMC) calculations. We also study the equation of states of three-dimensional crystalline phases of atomic hydrogen. We show that the results from the CMR method agree much better with the available QMC data in comparison with those from density functional theory and Hartree-Fock calculations.« less

Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen

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

Zhao, Xin; Liu, Jun; Yao, Yong-Xin

Developing accurate and computationally efficient methods to calculate the electronic structure and total energy of correlated-electron materials has been a very challenging task in condensed matter physics and materials science. Recently, we have developed a correlation matrix renormalization (CMR) method which does not assume any empirical Coulomb interaction U parameters and does not have double counting problems in the ground-state total energy calculation. The CMR method has been demonstrated to be accurate in describing both the bonding and bond breaking behaviors of molecules. In this study, we extend the CMR method to the treatment of electron correlations in periodic solidmore » systems. By using a linear hydrogen chain as a benchmark system, we show that the results from the CMR method compare very well with those obtained recently by accurate quantum Monte Carlo (QMC) calculations. We also study the equation of states of three-dimensional crystalline phases of atomic hydrogen. We show that the results from the CMR method agree much better with the available QMC data in comparison with those from density functional theory and Hartree-Fock calculations.« less

Correlative light and electron microscopic detection of GFP-labeled proteins using modular APEX.

PubMed

Ariotti, Nicholas; Hall, Thomas E; Parton, Robert G

2017-01-01

The use of green fluorescent protein (GFP) and related proteins has revolutionized light microscopy. Here we describe a rapid and simple method to localize GFP-tagged proteins in cells and in tissues by electron microscopy (EM) using a modular approach involving a small GFP-binding peptide (GBP) fused to the ascorbate peroxidase-derived APEX2 tag. We provide a method for visualizing GFP-tagged proteins by light and EM in cultured cells and in the zebrafish using modular APEX-GBP. Furthermore, we describe in detail the benefits of this technique over many of the currently available correlative light and electron microscopy approaches and demonstrate APEX-GBP is readily applicable to modern three-dimensional techniques. Copyright © 2017 Elsevier Inc. All rights reserved.

Evidence for momentum-dependent heavy-fermionic electronic structures: Soft x-ray ARPES for the superconductor CeNi2Ge2 in the normal state

NASA Astrophysics Data System (ADS)

Nakatani, Y.; Aratani, H.; Fujiwara, H.; Mori, T.; Tsuruta, A.; Tachibana, S.; Yamaguchi, T.; Kiss, T.; Yamasaki, A.; Yasui, A.; Yamagami, H.; Miyawaki, J.; Ebihara, T.; Saitoh, Y.; Sekiyama, A.

2018-03-01

We present clear experimental evidence for the momentum-dependent heavy fermionic electronic structures of the 4 f -based strongly correlated system CeNi2Ge2 by soft x-ray angle-resolved photoemission spectroscopy. A comparison between the experimental three-dimensional quasiparticle dispersion of LaNi2Ge2 and CeNi2Ge2 has revealed that heavy fermionic electronic structures are seen in the region surrounding a specific momentum. Furthermore, the wave vectors between the observed "heavy spots" are consistent with a result of neutron scattering reflecting magnetic correlations, which could be a trigger for the superconductivity in CeNi2Ge2 .

Correlated insulator behaviour at half-filling in magic-angle graphene superlattices

NASA Astrophysics Data System (ADS)

Cao, Yuan; Fatemi, Valla; Demir, Ahmet; Fang, Shiang; Tomarken, Spencer L.; Luo, Jason Y.; Sanchez-Yamagishi, Javier D.; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Ashoori, Ray C.; Jarillo-Herrero, Pablo

2018-04-01

A van der Waals heterostructure is a type of metamaterial that consists of vertically stacked two-dimensional building blocks held together by the van der Waals forces between the layers. This design means that the properties of van der Waals heterostructures can be engineered precisely, even more so than those of two-dimensional materials. One such property is the ‘twist’ angle between different layers in the heterostructure. This angle has a crucial role in the electronic properties of van der Waals heterostructures, but does not have a direct analogue in other types of heterostructure, such as semiconductors grown using molecular beam epitaxy. For small twist angles, the moiré pattern that is produced by the lattice misorientation between the two-dimensional layers creates long-range modulation of the stacking order. So far, studies of the effects of the twist angle in van der Waals heterostructures have concentrated mostly on heterostructures consisting of monolayer graphene on top of hexagonal boron nitride, which exhibit relatively weak interlayer interaction owing to the large bandgap in hexagonal boron nitride. Here we study a heterostructure consisting of bilayer graphene, in which the two graphene layers are twisted relative to each other by a certain angle. We show experimentally that, as predicted theoretically, when this angle is close to the ‘magic’ angle the electronic band structure near zero Fermi energy becomes flat, owing to strong interlayer coupling. These flat bands exhibit insulating states at half-filling, which are not expected in the absence of correlations between electrons. We show that these correlated states at half-filling are consistent with Mott-like insulator states, which can arise from electrons being localized in the superlattice that is induced by the moiré pattern. These properties of magic-angle-twisted bilayer graphene heterostructures suggest that these materials could be used to study other exotic many-body quantum phases in two dimensions in the absence of a magnetic field. The accessibility of the flat bands through electrical tunability and the bandwidth tunability through the twist angle could pave the way towards more exotic correlated systems, such as unconventional superconductors and quantum spin liquids.

Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr 2IrO 4

DOE PAGES

Dean, M. P. M.; Cao, Y.; Liu, X.; ...

2016-05-09

Measuring how the magnetic correlations evolve in doped Mott insulators has greatly improved our understanding of the pseudogap, non-Fermi liquids and high-temperature superconductivity 1, 2, 3, 4. Recently, photo-excitation has been used to induce similarly exotic states transiently 5, 6, 7. However, the lack of available probes of magnetic correlations in the time domain hinders our understanding of these photo-induced states and how they could be controlled. Here, we implement magnetic resonant inelastic X-ray scattering at a free-electron laser to directly determine the magnetic dynamics after photo-doping the Mott insulator Sr 2IrO 4. We find that the non-equilibrium state, 2more » ps after the excitation, exhibits strongly suppressed long-range magnetic order, but hosts photo-carriers that induce strong, non-thermal magnetic correlations. These two-dimensional (2D) in-plane Néel correlations recover within a few picoseconds, whereas the three-dimensional (3D) long-range magnetic order restores on a fluence-dependent timescale of a few hundred picoseconds. In conclusion, the marked difference in these two timescales implies that the dimensionality of magnetic correlations is vital for our understanding of ultrafast magnetic dynamics.« less

Symmetry-Breaking Phase Transition without a Peierls Instability in Conducting Monoatomic Chains

NASA Astrophysics Data System (ADS)

Blumenstein, C.; Schäfer, J.; Morresi, M.; Mietke, S.; Matzdorf, R.; Claessen, R.

2011-10-01

The one-dimensional (1D) model system Au/Ge(001), consisting of linear chains of single atoms on a surface, is scrutinized for lattice instabilities predicted in the Peierls paradigm. By scanning tunneling microscopy and electron diffraction we reveal a second-order phase transition at 585 K. It leads to charge ordering with transversal and vertical displacements and complex interchain correlations. However, the structural phase transition is not accompanied by the electronic signatures of a charge density wave, thus precluding a Peierls instability as origin. Instead, this symmetry-breaking transition exhibits three-dimensional critical behavior. This reflects a dichotomy between the decoupled 1D electron system and the structural elements that interact via the substrate. Such substrate-mediated coupling between the wires thus appears to have been underestimated also in related chain systems.

High-density Two-Dimensional Small Polaron Gas in a Delta-Doped Mott Insulator

PubMed Central

Ouellette, Daniel G.; Moetakef, Pouya; Cain, Tyler A.; Zhang, Jack Y.; Stemmer, Susanne; Emin, David; Allen, S. James

2013-01-01

Heterointerfaces in complex oxide systems open new arenas in which to test models of strongly correlated material, explore the role of dimensionality in metal-insulator-transitions (MITs) and small polaron formation. Close to the quantum critical point Mott MITs depend on band filling controlled by random disordered substitutional doping. Delta-doped Mott insulators are potentially free of random disorder and introduce a new arena in which to explore the effect of electron correlations and dimensionality. Epitaxial films of the prototypical Mott insulator GdTiO3 are delta-doped by substituting a single (GdO)+1 plane with a monolayer of charge neutral SrO to produce a two-dimensional system with high planar doping density. Unlike metallic SrTiO3 quantum wells in GdTiO3 the single SrO delta-doped layer exhibits thermally activated DC and optical conductivity that agree in a quantitative manner with predictions of small polaron transport but with an extremely high two-dimensional density of polarons, ~7 × 1014 cm−2. PMID:24257578

Excitations in a spin-polarized two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kreil, Dominik; Hobbiger, Raphael; Drachta, Jürgen T.; Böhm, Helga M.

2015-11-01

A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin-up and spin-down population. The predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014), 10.1103/PhysRevB.90.155409] are based on the random phase approximation. Here, we show how to account for spin-dependent correlations from known ground-state pair correlation functions and study the consequences on the various spin-dependent longitudinal response functions. The spin-plasmon dispersion relation and its critical wave vector for Landau damping by minority spins turn out to be significantly lower. We further demonstrate that spin-dependent effective interactions imply a rich structure in the excitation spectrum of the partially spin-polarized system. Most notably, we find a "magnetic antiresonance," where the imaginary part of both, the spin-spin as well as the density-spin response function vanish. The resulting minimum in the double-differential cross section is awaiting experimental confirmation.

Dimensionality-driven insulator–metal transition in A-site excess non-stoichiometric perovskites

PubMed Central

Wang, Zhongchang; Okude, Masaki; Saito, Mitsuhiro; Tsukimoto, Susumu; Ohtomo, Akira; Tsukada, Masaru; Kawasaki, Masashi; Ikuhara, Yuichi

2010-01-01

Coaxing correlated materials to the proximity of the insulator–metal transition region, where electronic wavefunctions transform from localized to itinerant, is currently the subject of intensive research because of the hopes it raises for technological applications and also for its fundamental scientific significance. In general, this tuning is achieved by either chemical doping to introduce charge carriers, or external stimuli to lower the ratio of Coulomb repulsion to bandwidth. In this study, we combine experiment and theory to show that the transition from well-localized insulating states to metallicity in a Ruddlesden-Popper series, La0.5Srn+1−0.5TinO3n+1, is driven by intercalating an intrinsically insulating SrTiO3 unit, in structural terms, by dimensionality n. This unconventional strategy, which can be understood upon a complex interplay between electron–phonon coupling and electron correlations, opens up a new avenue to obtain metallicity or even superconductivity in oxide superlattices that are normally expected to be insulators. PMID:21045824

Spin-polarized two-dimensional electron gas at GdTi O3/SrTi O3 interfaces: Insight from first-principles calculations

NASA Astrophysics Data System (ADS)

Betancourt, J.; Paudel, T. R.; Tsymbal, E. Y.; Velev, J. P.

2017-07-01

Two-dimensional electron gases (2DEGs) at oxide interfaces have been a topic of intensive research due to their high carrier mobility and strong confinement. Additionally, strong correlations in the oxide materials can give rise to new and interesting physics, such as magnetism and metal-insulator transitions at the interface. Using first-principles calculations based on density functional theory, we demonstrate the presence of a highly spin-polarized 2DEG at the interface between the Mott insulator GdTi O3 and a band insulator SrTi O3 . The strong correlations in the dopant cause ferromagnetic alignment of the interface Ti atoms and result in a fully spin-polarized 2DEG. The 2DEG consists of two types of carriers distinguished by their orbital character. The majority of the interface charge is strongly localized on the Ti dx y orbitals at the interface and a smaller fraction resides on the delocalized Ti dx z ,y z states.

Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic Resolution Electron Microscopy and Field Evaporation Simulation

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

Devaraj, Arun; Colby, Robert J.; Vurpillot, F.

2014-03-26

Metal-dielectric composite materials, specifically metal nanoparticles supported on or embedded in metal oxides, are widely used in catalysis. The accurate optimization of such nanostructures warrants the need for detailed three-dimensional characterization. Atom probe tomography is uniquely capable of generating sub-nanometer structural and compositional data with part-per-million mass sensitivity, but there are reconstruction artifacts for composites containing materials with strongly differing fields of evaporation, as for oxide-supported metal nanoparticles. By correlating atom probe tomography with scanning transmission electron microscopy for Au nanoparticles embedded in an MgO support, deviations from an ideal topography during evaporation are demonstrated directly, and correlated with compositionalmore » errors in the reconstructed data. Finite element simulations of the field evaporation process confirm that protruding Au nanoparticles will evolve on the tip surface, and that evaporation field variations lead to an inaccurate assessment of the local composition, effectively lowering the spatial resolution of the final reconstructed dataset. Cross-correlating the experimental data with simulations results in a more detailed understanding of local evaporation aberrations during APT analysis of metal-oxide composites, paving the way towards a more accurate three-dimensional characterization of this technologically important class of materials.« less

Three-dimensional ionospheric tomography reconstruction using the model function approach in Tikhonov regularization

NASA Astrophysics Data System (ADS)

Wang, Sicheng; Huang, Sixun; Xiang, Jie; Fang, Hanxian; Feng, Jian; Wang, Yu

2016-12-01

Ionospheric tomography is based on the observed slant total electron content (sTEC) along different satellite-receiver rays to reconstruct the three-dimensional electron density distributions. Due to incomplete measurements provided by the satellite-receiver geometry, it is a typical ill-posed problem, and how to overcome the ill-posedness is still a crucial content of research. In this paper, Tikhonov regularization method is used and the model function approach is applied to determine the optimal regularization parameter. This algorithm not only balances the weights between sTEC observations and background electron density field but also converges globally and rapidly. The background error covariance is given by multiplying background model variance and location-dependent spatial correlation, and the correlation model is developed by using sample statistics from an ensemble of the International Reference Ionosphere 2012 (IRI2012) model outputs. The Global Navigation Satellite System (GNSS) observations in China are used to present the reconstruction results, and measurements from two ionosondes are used to make independent validations. Both the test cases using artificial sTEC observations and actual GNSS sTEC measurements show that the regularization method can effectively improve the background model outputs.

Three-dimensional resistivity and switching between correlated electronic states in 1T-TaS2

NASA Astrophysics Data System (ADS)

Svetin, Damjan; Vaskivskyi, Igor; Brazovskii, Serguei; Mihailovic, Dragan

2017-04-01

Recent demonstrations of controlled switching between different ordered macroscopic states by impulsive electromagnetic perturbations in complex materials have opened some fundamental questions on the mechanisms responsible for such remarkable behavior. Here we experimentally address the question of whether two-dimensional (2D) Mott physics can be responsible for unusual switching between states of different electronic order in the layered dichalcogenide 1T-TaS2, or it is a result of subtle inter-layer “orbitronic” re-ordering of its stacking structure. We report on in-plane (IP) and out-of-plane (OP) resistance switching by current-pulse injection at low temperatures. Elucidating the controversial theoretical predictions, we also report on measurements of the anisotropy of the electrical resistivity below room temperature. From the T-dependence of ρ⊥ and ρ||, we surmise that the resistivity is more consistent with collective motion than single particle diffusive or band-like transport. The relaxation dynamics of the metastable state for both IP and OP electron transport are seemingly governed by the same mesoscopic quantum re-ordering process. We conclude that 1T-TaS2 shows resistance switching arising from an interplay of both IP and OP correlations.

TMDs and GPDs at a future Electron-Ion Collider

DOE PAGES

Ent, Rolf

2016-06-21

With two options studied at Brookhaven National Lab and Jefferson Laboratory the U.S., an Electron-Ion Collider (EIC) of energy √s=20-100 GeV was under design. Furthermore, the recent 2015 US Nuclear Science Long-Range Planning effort included a future EIC as a recommendation for future construction. The EIC will be unique in colliding polarised electrons off polarised protons and light nuclei, providing the spin degrees of freedom essential to pursue its physics program driven by spin structure, multi-dimensional tomographic images of protons and nuclei, and discovery of the role of collective effects of gluons in nuclei. The foreseen luminosity of the EIC,more » coupled with its energy variability and reach, will allow unprecedented three-dimensional imaging of the gluon and sea quark distributions, via both TMDs and GPDs, and to explore correlations amongst them. Its hermetic detection capability of correlated fragments promises to similar allow for precise tomographic images of the quark-gluon landscape in nuclei, transcending from light few-body nuclei to the heaviest nuclei, and could uncover how the TMD and GPD landscape changes when gluons display an anticipated collective behavior at the higher energies.« less

Bosonic excitations and electron pairing in an electron-doped cuprate superconductor

NASA Astrophysics Data System (ADS)

Wang, M. C.; Yu, H. S.; Xiong, J.; Yang, Y.-F.; Luo, S. N.; Jin, K.; Qi, J.

2018-04-01

By applying ultrafast optical spectroscopy to electron-doped La1.9Ce0.1CuO4 ±δ , we discern a bosonic mode of electronic origin and provide the evolution of its coupling with the charge carriers as a function of temperature. Our results show that it has the strongest coupling strength near Tc and can fully account for the superconducting pairing. This mode can be associated with the two-dimensional antiferromagnetic spin correlations emerging below a critical temperature T† larger than Tc. Our work may help to establish a quantitative relation between bosonic excitations and superconducting pairing in electron-doped cuprates.

Surface electronic structure of the topological Kondo-insulator candidate correlated electron system SmB6.

PubMed

Neupane, M; Alidoust, N; Xu, S-Y; Kondo, T; Ishida, Y; Kim, D J; Liu, Chang; Belopolski, I; Jo, Y J; Chang, T-R; Jeng, H-T; Durakiewicz, T; Balicas, L; Lin, H; Bansil, A; Shin, S; Fisk, Z; Hasan, M Z

2013-01-01

The Kondo insulator SmB6 has long been known to exhibit low-temperature transport anomalies whose origin is of great interest. Here we uniquely access the surface electronic structure of the anomalous transport regime by combining state-of-the-art laser and synchrotron-based angle-resolved photoemission techniques. We observe clear in-gap states (up to ~4 meV), whose temperature dependence is contingent on the Kondo gap formation. In addition, our observed in-gap Fermi surface oddness tied with the Kramers' point topology, their coexistence with the two-dimensional transport anomaly in the Kondo hybridization regime, as well as their robustness against thermal recycling, taken together, collectively provide strong evidence for protected surface metallicity with a Fermi surface whose topology is consistent with the theoretically predicted topological Fermi surface. Our observations of systematic surface electronic structure provide the fundamental electronic parameters for the anomalous Kondo ground state of correlated electron material SmB6.

Unconventional superconductivity in magic-angle graphene superlattices.

PubMed

Cao, Yuan; Fatemi, Valla; Fang, Shiang; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Jarillo-Herrero, Pablo

2018-04-05

The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity-which cannot be explained by weak electron-phonon interactions-in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°-the first 'magic' angle-the electronic band structure of this 'twisted bilayer graphene' exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature-carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 10 11 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.

Correlation lengths of the wigner-crystal order in a two-dimensional electron system at high magnetic fields.

PubMed

Ye, P D; Engel, L W; Tsui, D C; Lewis, R M; Pfeiffer, L N; West, K

2002-10-21

The insulator terminating the fractional quantum Hall series at low Landau level filling nu is generally taken to be a pinned Wigner crystal (WC), and exhibits a microwave resonance that is interpreted as a WC pinning mode. For a high quality sample at several densities, n, we find maxima in resonance peak frequency, f(pk), vs magnetic field, B. L, the correlation length of WC order, is calculated from f(pk). For each n, L vs nu tends at low nu toward a line with positive intercept; the fit is accurate over as much as a factor of 5 range of nu. The linear behavior is interpreted as due to B compressing the electron wave functions, to alter the effective electron-impurity interaction.

Transition-Metal Oxide (111) Bilayers

DOE PAGES

Okamoto, Satoshi; Xiao, Di

2018-04-15

Correlated electron systems on a honeycomb lattice have emerged as a fertile playground to explore exotic electronic phenomena. Theoretical and experimental work has appeared to realize novel behavior, including quantum Hall effects and valleytronics, mainly focusing on van der Waals compounds, such as graphene, chalcogenides, and halides. Here in this paper, we review our theoretical study on perovskite transition-metal oxides (TMOs) as an alternative system to realize such exotic phenomena. We demonstrate that novel quantum Hall effects and related phenomena associated with the honeycomb structure could be artificially designed by such TMOs by growing their heterostructures along the [111] crystallographicmore » axis. One of the important predictions is that such TMO heterostructures could support two-dimensional topological insulating states. The strong correlation effects inherent to TM d electrons further enrich the behavior.« less

Transition-Metal Oxide (111) Bilayers

NASA Astrophysics Data System (ADS)

Okamoto, Satoshi; Xiao, Di

2018-04-01

Correlated electron systems on a honeycomb lattice have emerged as a fertile playground to explore exotic electronic phenomena. Theoretical and experimental work has appeared to realize novel behavior, including quantum Hall effects and valleytronics, mainly focusing on van der Waals compounds, such as graphene, chalcogenides, and halides. In this article, we review our theoretical study on perovskite transition-metal oxides (TMOs) as an alternative system to realize such exotic phenomena. We demonstrate that novel quantum Hall effects and related phenomena associated with the honeycomb structure could be artificially designed by such TMOs by growing their heterostructures along the [111] crystallographic axis. One of the important predictions is that such TMO heterostructures could support two-dimensional topological insulating states. The strong correlation effects inherent to TM d electrons further enrich the behavior.

Visualizing heavy fermion confinement and Pauli-limited superconductivity in layered CeCoIn 5

DOE PAGES

Gyenis, András; Feldman, Benjamin E.; Randeria, Mallika T.; ...

2018-02-07

Layered material structures play a key role in enhancing electron–electron interactions to create correlated metallic phases that can transform into unconventional superconducting states. The quasi-two-dimensional electronic properties of such compounds are often inferred indirectly through examination of bulk properties. Here we use scanning tunneling microscopy to directly probe in cross-section the quasi-two-dimensional electronic states of the heavy fermion superconductor CeCoIn 5. Our measurements reveal the strong confined nature of quasiparticles, anisotropy of tunneling characteristics, and layer-by-layer modulated behavior of the precursor pseudogap gap phase. In the interlayer coupled superconducting state, the orientation of line defects relative to the d-wave ordermore » parameter determines whether in-gap states form due to scattering. Spectroscopic imaging of the anisotropic magnetic vortex cores directly characterizes the short interlayer superconducting coherence length and shows an electronic phase separation near the upper critical in-plane magnetic field, consistent with a Pauli-limited first-order phase transition into a pseudogap phase.« less

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

Gyenis, András; Feldman, Benjamin E.; Randeria, Mallika T.

Layered material structures play a key role in enhancing electron–electron interactions to create correlated metallic phases that can transform into unconventional superconducting states. The quasi-two-dimensional electronic properties of such compounds are often inferred indirectly through examination of bulk properties. Here we use scanning tunneling microscopy to directly probe in cross-section the quasi-two-dimensional electronic states of the heavy fermion superconductor CeCoIn 5. Our measurements reveal the strong confined nature of quasiparticles, anisotropy of tunneling characteristics, and layer-by-layer modulated behavior of the precursor pseudogap gap phase. In the interlayer coupled superconducting state, the orientation of line defects relative to the d-wave ordermore » parameter determines whether in-gap states form due to scattering. Spectroscopic imaging of the anisotropic magnetic vortex cores directly characterizes the short interlayer superconducting coherence length and shows an electronic phase separation near the upper critical in-plane magnetic field, consistent with a Pauli-limited first-order phase transition into a pseudogap phase.« less

Advances in high-resolution imaging--techniques for three-dimensional imaging of cellular structures.

PubMed

Lidke, Diane S; Lidke, Keith A

2012-06-01

A fundamental goal in biology is to determine how cellular organization is coupled to function. To achieve this goal, a better understanding of organelle composition and structure is needed. Although visualization of cellular organelles using fluorescence or electron microscopy (EM) has become a common tool for the cell biologist, recent advances are providing a clearer picture of the cell than ever before. In particular, advanced light-microscopy techniques are achieving resolutions below the diffraction limit and EM tomography provides high-resolution three-dimensional (3D) images of cellular structures. The ability to perform both fluorescence and electron microscopy on the same sample (correlative light and electron microscopy, CLEM) makes it possible to identify where a fluorescently labeled protein is located with respect to organelle structures visualized by EM. Here, we review the current state of the art in 3D biological imaging techniques with a focus on recent advances in electron microscopy and fluorescence super-resolution techniques.

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

Sun, Jianwei; Yang, Zenghui; Peng, Haowei

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin densitymore » approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.« less

Particle-hole symmetry reveals failed superconductivity in the metallic phase of two-dimensional superconducting films

DOE PAGES

Breznay, Nicholas P.; Kapitulnik, Aharon

2017-09-15

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually “localize” into an insulating ground state, and it has long been supposed that electron correlations stabilize only one other phase: superconductivity. However, many two-dimensional (2D) superconducting materials have shown surprising evidence for metallic behavior, where the electrical resistivity saturates in the zero-temperature limit; the nature of this unexpected metallic state remains under intense scrutiny. We report electrical transport properties for two disordered 2D superconductors, indium oxide and tantalum nitride, and observe a magnetic field–tuned transition frommore » a true superconductor to a metallic phase with saturated resistivity. Lastly, this metallic phase is characterized by a vanishing Hall resistivity, suggesting that it retains particle-hole symmetry from the disrupted superconducting state.« less

Electronic excitations in γ -Li2IrO3

NASA Astrophysics Data System (ADS)

Li, Ying; Winter, Stephen M.; Jeschke, Harald O.; Valentí, Roser

2017-01-01

We investigate the electronic properties of the three-dimensional stripyhoneycomb γ -Li2IrO3 via relativistic density functional theory calculations as well as exact diagonalization of finite clusters and explore the details of the optical conductivity. Our analysis of this quantity reveals the microscopic origin of the experimentally observed (i) optical transitions and (ii) anisotropic behavior along the various polarization directions. In particular, we find that the optical excitations are overall dominated by transitions between jeff=1 /2 and 3/2 states and the weight of transitions between jeff=1 /2 states at low frequencies can be correlated to deviations from a pure Kitaev description. We furthermore reanalyze within this approach the electronic excitations in the known two-dimensional honeycomb systems α -Li2IrO3 and Na2IrO3 and discuss the results in comparison to γ -Li2IrO3 .

Particle-hole symmetry reveals failed superconductivity in the metallic phase of two-dimensional superconducting films

PubMed Central

Breznay, Nicholas P.; Kapitulnik, Aharon

2017-01-01

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually “localize” into an insulating ground state, and it has long been supposed that electron correlations stabilize only one other phase: superconductivity. However, many two-dimensional (2D) superconducting materials have shown surprising evidence for metallic behavior, where the electrical resistivity saturates in the zero-temperature limit; the nature of this unexpected metallic state remains under intense scrutiny. We report electrical transport properties for two disordered 2D superconductors, indium oxide and tantalum nitride, and observe a magnetic field–tuned transition from a true superconductor to a metallic phase with saturated resistivity. This metallic phase is characterized by a vanishing Hall resistivity, suggesting that it retains particle-hole symmetry from the disrupted superconducting state. PMID:28929135

Particle-hole symmetry reveals failed superconductivity in the metallic phase of two-dimensional superconducting films.

PubMed

Breznay, Nicholas P; Kapitulnik, Aharon

2017-09-01

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually "localize" into an insulating ground state, and it has long been supposed that electron correlations stabilize only one other phase: superconductivity. However, many two-dimensional (2D) superconducting materials have shown surprising evidence for metallic behavior, where the electrical resistivity saturates in the zero-temperature limit; the nature of this unexpected metallic state remains under intense scrutiny. We report electrical transport properties for two disordered 2D superconductors, indium oxide and tantalum nitride, and observe a magnetic field-tuned transition from a true superconductor to a metallic phase with saturated resistivity. This metallic phase is characterized by a vanishing Hall resistivity, suggesting that it retains particle-hole symmetry from the disrupted superconducting state.

Many-body effects and excitonic features in 2D biphenylene carbon

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

Lüder, Johann, E-mail: johann.luder@physics.uu.se; Puglia, Carla; Eriksson, Olle

2016-01-14

The remarkable excitonic effects in low dimensional materials in connection to large binding energies of excitons are of great importance for research and technological applications such as in solar energy and quantum information processing as well as for fundamental investigations. In this study, the unique electronic and excitonic properties of the two dimensional carbon network biphenylene carbon were investigated with GW approach and the Bethe-Salpeter equation accounting for electron correlation effects and electron-hole interactions, respectively. Biphenylene carbon exhibits characteristic features including bright and dark excitons populating the optical gap of 0.52 eV and exciton binding energies of 530 meV asmore » well as a technologically relevant intrinsic band gap of 1.05 eV. Biphenylene carbon’s excitonic features, possibly tuned, suggest possible applications in the field of solar energy and quantum information technology in the future.« less

Engineering correlation effects via artificially designed oxide superlattices.

PubMed

Chen, Hanghui; Millis, Andrew J; Marianetti, Chris A

2013-09-13

Ab initio calculations are used to predict that a superlattice composed of layers of LaTiO3 and LaNiO3 alternating along the [001] direction is a S=1 Mott insulator with large magnetic moments on the Ni sites, negligible moments on the Ti sites and a charge transfer gap set by the energy difference between Ni d and Ti d states, distinct from conventional Mott insulators. Correlation effects are enhanced on the Ni sites via filling the oxygen p states and reducing the Ni-O-Ni bond angle. Small hole (electron) doping of the superlattice leads to a two-dimensional single-band situation with holes (electrons) residing on the Ni d(x2-y2) (Ti d(xy)) orbital and coupled to antiferromagnetically correlated spins in the NiO2 layer.

Engineering Correlation Effects via Artificially Designed Oxide Superlattices

NASA Astrophysics Data System (ADS)

Chen, Hanghui; Millis, Andrew J.; Marianetti, Chris A.

2013-09-01

Ab initio calculations are used to predict that a superlattice composed of layers of LaTiO3 and LaNiO3 alternating along the [001] direction is a S=1 Mott insulator with large magnetic moments on the Ni sites, negligible moments on the Ti sites and a charge transfer gap set by the energy difference between Ni d and Ti d states, distinct from conventional Mott insulators. Correlation effects are enhanced on the Ni sites via filling the oxygen p states and reducing the Ni-O-Ni bond angle. Small hole (electron) doping of the superlattice leads to a two-dimensional single-band situation with holes (electrons) residing on the Ni dx2-y2 (Ti dxy) orbital and coupled to antiferromagnetically correlated spins in the NiO2 layer.

New understanding of photocatalytic properties of zigzag and armchair g-C3N4 nanotubes from electronic structures and carrier effective mass

NASA Astrophysics Data System (ADS)

Liu, Jianjun; Cheng, Bei

2018-02-01

Low-dimensional g-C3N4 nanostructures own distinct electronic structure and remarkable photocatalytic properties, hence their wide application in the photocatalysis field. However, the correlations of structures and photoinduced carrier migrations with the photocatalytic properties of g-C3N4 nanostructures remain unclear. In this study, the geometrical and electronic structures and the photocatalytic properties of zigzag (n, 0) and armchair (n, n) g-C3N4 nanotubes (n = 6, 9, 12) were systematically investigated using hybrid DFT. Results indicated that the differences in geometrical structures of g-C3N4 nanotubes changed the band gaps and effective mass of carriers. Accordingly, the photocatalytic properties of g-C3N4 nanotubes also changed. Notably, the change trends of band gaps and the effective mass of the electrons and holes were the opposite for zigzag (n, 0) and armchair (n, n) g-C3N4 nanotubes. The absolute band edge potential of (n, 0) and (n, n) g-C3N4 nanotubes can split water for hydrogen production. These theoretical results revealed the correlations of structures and carrier effective mass with the photocatalytic properties of g-C3N4 nanotubes, and provided significant guidance for designing low-dimensional g-C3N4 nanostructures.

Characteristics of angular cross correlations studied by light scattering from two-dimensional microsphere films

NASA Astrophysics Data System (ADS)

Schroer, M. A.; Gutt, C.; Grübel, G.

2014-07-01

Recently the analysis of scattering patterns by angular cross-correlation analysis (CCA) was introduced to reveal the orientational order in disordered samples with special focus to future applications on x-ray free-electron laser facilities. We apply this CCA approach to ultra-small-angle light-scattering data obtained from two-dimensional monolayers of microspheres. The films were studied in addition by optical microscopy. This combined approach allows to calculate the cross-correlations of the scattering patterns, characterized by the orientational correlation function Ψl(q), as well as to obtain the real-space structure of the monolayers. We show that CCA is sensitive to the orientational order of monolayers formed by the microspheres which are not directly visible from the scattering patterns. By mixing microspheres of different radii the sizes of ordered monolayer domains is reduced. For these samples it is shown that Ψl(q) quantitatively describes the degree of hexagonal order of the two-dimensional films. The experimental CCA results are compared with calculations based on the microscopy images. Both techniques show qualitatively similar features. Differences can be attributed to the wave-front distortion of the laser beam in the experiment. This effect is discussed by investigating the effect of different wave fronts on the cross-correlation analysis results. The so-determined characteristics of the cross-correlation analysis will be also relevant for future x-ray-based studies.

Photoemission study of the electronic structure and charge density waves of Na2Ti2Sb2O.

PubMed

Tan, S Y; Jiang, J; Ye, Z R; Niu, X H; Song, Y; Zhang, C L; Dai, P C; Xie, B P; Lai, X C; Feng, D L

2015-04-30

The electronic structure of Na2Ti2Sb2O single crystal is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The obtained band structure and Fermi surface agree well with the band structure calculation of Na2Ti2Sb2O in the non-magnetic state, which indicates that there is no magnetic order in Na2Ti2Sb2O and the electronic correlation is weak. Polarization dependent ARPES results suggest the multi-band and multi-orbital nature of Na2Ti2Sb2O. Photon energy dependent ARPES results suggest that the electronic structure of Na2Ti2Sb2O is rather two-dimensional. Moreover, we find a density wave energy gap forms below the transition temperature and reaches 65 meV at 7 K, indicating that Na2Ti2Sb2O is likely a weakly correlated CDW material in the strong electron-phonon interaction regime.

Stacking of 2D electron gases in Ge probed at the atomic level and its correlation to low-temperature magnetotransport.

PubMed

Scappucci, G; Klesse, W M; Hamilton, A R; Capellini, G; Jaeger, D L; Bischof, M R; Reidy, R F; Gorman, B P; Simmons, M Y

2012-09-12

Stacking of two-dimensional electron gases (2DEGs) obtained by δ-doping of Ge and patterned by scanning probe lithography is a promising approach to realize ultrascaled 3D epitaxial circuits, where multiple layers of active electronic components are integrated both vertically and horizontally. We use atom probe tomography and magnetotransport to correlate the real space 3D atomic distribution of dopants in the crystal with the quantum correction to the conductivity observed at low temperatures, probing if closely stacked δ-layers in Ge behave as independent 2DEGs. We find that at a separation of 9 nm the stacked-2DEGs, while interacting, still maintain their individuality in terms of electron transport and show long phase coherence lengths (∼220 nm). Strong vertical electron confinement is crucial to this finding, resulting in an interlayer scattering time much longer (∼1000 × ) than the scattering time within the dopant plane.

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.

Correlation between structural and opto-electronic characteristics of crystalline Si microhole arrays for photonic light management

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

Sontheimer, Tobias, E-mail: tobias.sontheimer@helmholtz-berlin.de; Schnegg, Alexander; Lips, Klaus

2013-11-07

By employing electron paramagnetic resonance spectroscopy, transmission electron microscopy, and optical measurements, we systematically correlate the structural and optical properties with the deep-level defect characteristics of various tailored periodic Si microhole arrays, which are manufactured in an easily scalable and versatile process on nanoimprinted sol-gel coated glass. While tapered microhole arrays in a structured base layer are characterized by partly nanocrystalline features, poor electronic quality with a defect concentration of 10{sup 17} cm{sup −3} and a high optical sub-band gap absorption, planar polycrystalline Si layers perforated with periodic arrays of tapered microholes are composed of a compact crystalline structure and amore » defect concentration in the low 10{sup 16} cm{sup −3} regime. The low defect concentration is equivalent to the one in planar state-of-the-art solid phase crystallized Si films and correlates with a low optical sub-band gap absorption. By complementing the experimental characterization with 3-dimensional finite element simulations, we provide the basis for a computer-aided approach for the low-cost fabrication of novel high-quality structures on large areas featuring tailored opto-electronic properties.« less

Velocity-Map Imaging for Emittance Characterization of Multiphoton Electron Emission from a Gold Surface

NASA Astrophysics Data System (ADS)

Ye, Hong; Trippel, Sebastian; Di Fraia, Michele; Fallahi, Arya; Mücke, Oliver D.; Kärtner, Franz X.; Küpper, Jochen

2018-04-01

A velocity-map-imaging spectrometer is demonstrated to characterize the normalized emittance (root-mean-square, rms) of photoemitted electron bunches. Both the two-dimensional spatial distribution and the projected velocity distribution images of photoemitted electrons are recorded by the detection system and analyzed to obtain the normalized emittance (rms). With the presented distribution function of the electron photoemission angles, a mathematical method is implemented to reconstruct the three-dimensional velocity distribution. As a first example, multiphoton emission from a planar Au surface is studied via irradiation at a glancing angle by intense 45-fs laser pulses at a central wavelength of 800 nm. The reconstructed energy distribution agrees very well with the Berglund-Spicer theory of photoemission. The normalized emittance (rms) of the intrinsic electron bunch is characterized to be 128 and 14 nm rad in the X and Y directions, respectively. The demonstrated imaging spectrometer has the ability to characterize the normalized emittance (rms) in a few minutes with a fine energy resolution of 0.2 meV in the image center and will, thereby, foster the further development of x-ray free-electron-laser injectors and ultrafast electron diffraction, and it opens up opportunities for studying correlated electron emission from surfaces and vacuum nanoelectronic devices.

UV absorption spectrum and photodissociation channels of the simplest Criegee intermediate (CH2OO).

PubMed

Dawes, Richard; Jiang, Bin; Guo, Hua

2015-01-14

The lowest-lying singlet states of the simplest Criegee intermediate (CH2OO) have been characterized along the O-O dissociation coordinate using explicitly correlated MRCI-F12 electronic structure theory and large active spaces. It is found that a high-level treatment of dynamic electron-correlation is essential to accurately describe these states. A significant well on the B-state is identified at the MRCI-F12 level with an equilibrium structure that differs substantially from that of the ground X-state. This well is presumably responsible for the apparent vibrational structure in some experimental UV absorption spectra, analogous to the structured Huggins band of the iso-electronic ozone. The B-state potential in the Franck-Condon region is sufficiently accurate that an absorption spectrum calculated with a one-dimensional model agrees remarkably well with experiment.

Investigation of a four-body coupling in the one-dimensional extended Penson-Kolb-Hubbard model

NASA Astrophysics Data System (ADS)

Ding, Hanqin; Ma, Xiaojuan; Zhang, Jun

2017-09-01

The experimental advances in cold fermion gases motivates the investigation of a one-dimensional (1D) correlated electronic system by incorporating a four-body coupling. Using the low-energy field theory scheme and focusing on the weak-coupling regime, we extend the 1D Penson-Kolb-Hubbard (PKH) model at half filling. It is found that the additional four-body interaction may significantly modify the quantum phase diagram, favoring the presence of the superconducting phase even in the case of two-body repulsions.

A ballistic two-dimensional-electron-gas Andreev interferometer

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

Amado, M., E-mail: mario.amadomontero@sns.it; Fornieri, A.; Sorba, L.

2014-06-16

We report the realization and investigation of a ballistic Andreev interferometer based on an InAs two dimensional electron gas coupled to a superconducting Nb loop. We observe strong magnetic modulations in the voltage drop across the device due to quasiparticle interference within the weak-link. The interferometer exhibits flux noise down to ∼80 μΦ{sub 0}/√(Hz) and a robust behavior in temperature with voltage oscillations surviving up to ∼7 K. Besides this remarkable performance, the device represents a crucial first step for the realization of a fully-tunable ballistic superconducting magnetometer and embodies a potential advanced platform for the investigation of Majorana bound states, non-localmore » entanglement of Cooper pairs, as well as the manipulation and control of spin triplet correlations.« less

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

Ent, Rolf

With two options studied at Brookhaven National Lab and Jefferson Laboratory the U.S., an Electron-Ion Collider (EIC) of energy √s=20-100 GeV was under design. Furthermore, the recent 2015 US Nuclear Science Long-Range Planning effort included a future EIC as a recommendation for future construction. The EIC will be unique in colliding polarised electrons off polarised protons and light nuclei, providing the spin degrees of freedom essential to pursue its physics program driven by spin structure, multi-dimensional tomographic images of protons and nuclei, and discovery of the role of collective effects of gluons in nuclei. The foreseen luminosity of the EIC,more » coupled with its energy variability and reach, will allow unprecedented three-dimensional imaging of the gluon and sea quark distributions, via both TMDs and GPDs, and to explore correlations amongst them. Its hermetic detection capability of correlated fragments promises to similar allow for precise tomographic images of the quark-gluon landscape in nuclei, transcending from light few-body nuclei to the heaviest nuclei, and could uncover how the TMD and GPD landscape changes when gluons display an anticipated collective behavior at the higher energies.« less

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.

Coherent diffraction imaging: consistency of the assembled three-dimensional distribution.

PubMed

Tegze, Miklós; Bortel, Gábor

2016-07-01

The short pulses of X-ray free-electron lasers can produce diffraction patterns with structural information before radiation damage destroys the particle. From the recorded diffraction patterns the structure of particles or molecules can be determined on the nano- or even atomic scale. In a coherent diffraction imaging experiment thousands of diffraction patterns of identical particles are recorded and assembled into a three-dimensional distribution which is subsequently used to solve the structure of the particle. It is essential to know, but not always obvious, that the assembled three-dimensional reciprocal-space intensity distribution is really consistent with the measured diffraction patterns. This paper shows that, with the use of correlation maps and a single parameter calculated from them, the consistency of the three-dimensional distribution can be reliably validated.

Electronic correlation in the infrared optical properties of the quasi-two-dimensional κ-type BEDT-TTF dimer system

NASA Astrophysics Data System (ADS)

Sasaki, T.; Ito, I.; Yoneyama, N.; Kobayashi, N.; Hanasaki, N.; Tajima, H.; Ito, T.; Iwasa, Y.

2004-02-01

The polarized optical reflectance spectra of the quasi-two-dimensional organic correlated electron system κ-(BEDT-TTF)2Cu[N(CN)2]Y, Y=Br and Cl are measured in the infrared region. The former shows the superconductivity at Tc≃11.6 K and the latter does the antiferromagnetic insulator transition at TN≃28 K. Both the specific molecular vibration mode ν3(ag) of the BEDT-TTF molecule and the optical conductivity hump in the mid-infrared region change correlatively at T*≃38 K of κ-(BEDT-TTF)2Cu[N(CN)2]Br, although no indication of T* but the insulating behavior below Tins≃50 60 K are found in κ-(BEDT-TTF)2Cu[N(CN)2]Cl. The results suggest that the electron-molecular vibration coupling on the ν3(ag) mode becomes weak due to the enhancement of the itinerant nature of the carriers on the dimer of the BEDT-TTF molecules below T*, while it does strong below Tins because of the localized carriers on the dimer. These changes are in agreement with the reduction and the enhancement of the mid-infrared conductivity hump below T* and Tins, respectively, which originates from the transitions between the upper and lower Mott-Hubbard bands. The present observations demonstrate that two different metallic states of κ-(BEDT-TTF)2Cu[N(CN)2]Br are regarded as a correlated good metal below T* including the superconducting state and a half filling bad metal above T*. In contrast the insulating state of κ-(BEDT-TTF)2Cu[N(CN)2]Cl below Tins is the Mott insulator.

Spatial structure of correlations around a quantum impurity at the edge of a two-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Allerdt, Andrew; Feiguin, A. E.; Martins, G. B.

2017-07-01

We calculate exact zero-temperature real-space properties of a substitutional magnetic impurity coupled to the edge of a zigzag silicenelike nanoribbon. Using a Lanczos transformation [A. Allerdt et al., Phys. Rev. B 91, 085101 (2015), 10.1103/PhysRevB.91.085101] and the density-matrix renormalization-group method, we obtain a realistic description of stanene and germanene that includes the bulk and the edges as boundary one-dimensional helical metallic states. Our results for substitutional impurities indicate that the development of a Kondo state and the structure of the spin correlations between the impurity and the electron spins in the metallic edge state depend considerably on the location of the impurity. More specifically, our real-space resolution allows us to conclude that there is a sharp distinction between the impurity being located at a crest or a trough site at the zigzag edge. We also observe, as expected, that the spin correlations are anisotropic due to an emerging Dzyaloshinskii-Moriya interaction with the conduction electrons and that the edges scatter from the impurity and "snake" or circle around it. Our estimates for the Kondo temperature indicate that there is a very weak enhancement due to the presence of spin-orbit coupling.

Optical signal processing

NASA Technical Reports Server (NTRS)

Casasent, D.

1978-01-01

The article discusses several optical configurations used for signal processing. Electronic-to-optical transducers are outlined, noting fixed window transducers and moving window acousto-optic transducers. Folded spectrum techniques are considered, with reference to wideband RF signal analysis, fetal electroencephalogram analysis, engine vibration analysis, signal buried in noise, and spatial filtering. Various methods for radar signal processing are described, such as phased-array antennas, the optical processing of phased-array data, pulsed Doppler and FM radar systems, a multichannel one-dimensional optical correlator, correlations with long coded waveforms, and Doppler signal processing. Means for noncoherent optical signal processing are noted, including an optical correlator for speech recognition and a noncoherent optical correlator.

Visualization of HIV T Cell Virological Synapses and Virus-Containing Compartments by Three-Dimensional Correlative Light and Electron Microscopy

PubMed Central

Wang, Lili; Eng, Edward T.; Law, Kenneth; Gordon, Ronald E.; Rice, William J.

2016-01-01

ABSTRACT Virological synapses (VS) are adhesive structures that form between infected and uninfected cells to enhance the spread of HIV-1. During T cell VS formation, viral proteins are actively recruited to the site of cell-cell contact where the viral material is efficiently translocated to target cells into heterogeneous, protease-resistant, antibody-inaccessible compartments. Using correlative light and electron microscopy (CLEM), we define the membrane topography of the virus-containing compartments (VCC) where HIV is found following VS-mediated transfer. Focused ion beam scanning electron microscopy (FIB-SEM) and serial sectioning transmission electron microscopy (SS-TEM) were used to better resolve the fluorescent Gag-containing structures within the VCC. We found that small punctate fluorescent signals correlated with single viral particles in enclosed vesicular compartments or surface-localized virus particles and that large fluorescent signals correlated with membranous Gag-containing structures with unknown pathological function. CLEM imaging revealed distinct pools of newly deposited viral proteins within endocytic and nonendocytic compartments in VS target T cells. IMPORTANCE This study directly correlates individual virus-associated objects observed in light microscopy with ultrastructural features seen by electron microscopy in the HIV-1 virological synapse. This approach elucidates which infection-associated ultrastructural features represent bona fide HIV protein complexes. We define the morphology of some HIV cell-to-cell transfer intermediates as true endocytic compartments and resolve unique synapse-associated viral structures created by transfer across virological synapses. PMID:27847357

Statistical image reconstruction from correlated data with applications to PET

PubMed Central

Alessio, Adam; Sauer, Ken; Kinahan, Paul

2008-01-01

Most statistical reconstruction methods for emission tomography are designed for data modeled as conditionally independent Poisson variates. In reality, due to scanner detectors, electronics and data processing, correlations are introduced into the data resulting in dependent variates. In general, these correlations are ignored because they are difficult to measure and lead to computationally challenging statistical reconstruction algorithms. This work addresses the second concern, seeking to simplify the reconstruction of correlated data and provide a more precise image estimate than the conventional independent methods. In general, correlated variates have a large non-diagonal covariance matrix that is computationally challenging to use as a weighting term in a reconstruction algorithm. This work proposes two methods to simplify the use of a non-diagonal covariance matrix as the weighting term by (a) limiting the number of dimensions in which the correlations are modeled and (b) adopting flexible, yet computationally tractable, models for correlation structure. We apply and test these methods with simple simulated PET data and data processed with the Fourier rebinning algorithm which include the one-dimensional correlations in the axial direction and the two-dimensional correlations in the transaxial directions. The methods are incorporated into a penalized weighted least-squares 2D reconstruction and compared with a conventional maximum a posteriori approach. PMID:17921576

An incompressible state of a photo-excited electron gas

PubMed Central

Chepelianskii, Alexei D.; Watanabe, Masamitsu; Nasyedkin, Kostyantyn; Kono, Kimitoshi; Konstantinov, Denis

2015-01-01

Two-dimensional electrons in a magnetic field can form new states of matter characterized by topological properties and strong electronic correlations as displayed in the integer and fractional quantum Hall states. In these states, the electron liquid displays several spectacular characteristics, which manifest themselves in transport experiments with the quantization of the Hall resistance and a vanishing longitudinal conductivity or in thermodynamic equilibrium when the electron fluid becomes incompressible. Several experiments have reported that dissipationless transport can be achieved even at weak, non-quantizing magnetic fields when the electrons absorb photons at specific energies related to their cyclotron frequency. Here we perform compressibility measurements on electrons on liquid helium demonstrating the formation of an incompressible electronic state under these resonant excitation conditions. This new state provides a striking example of irradiation-induced self-organization in a quantum system. PMID:26007282

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.

Effect of nuclear shielding in collision of positive charged helium ions with helium atoms

NASA Astrophysics Data System (ADS)

Ghavaminia, Hoda; Ghavaminia, Shirin

2018-03-01

Differential in angle and absolute cross sections in energy of the scattered particles are obtained for single charge exchange in ^3He^+-^4He collisions by means of the four body boundary-corrected first Born approximation (CB1-4B). The quantum-mechanical post and prior transition amplitudes are derived in terms of two-dimensional real integrals in the case of the prior form and five-dimensional quadratures for the post form. The effect of the dynamic electron correlation through the complete perturbation potential and the nuclear-screening influence of the passive electrons on the electron capture process is investigated. The results obtained in the CB1-4B method are compared with the available experimental data. For differential cross sections, the present results are in better agreement with experimental data than other theoretical data at extreme forward scattering angles. The integral cross sections are in excellent agreement with the experiment. Also, total cross sections for single electron capture, has been investigated using the classical trajectory Monte Carlo method. The present calculated results are found to be in an excellent agreement with the experimental data.

Landscape of an exact energy functional

NASA Astrophysics Data System (ADS)

Cohen, Aron J.; Mori-Sánchez, Paula

2016-04-01

One of the great challenges of electronic structure theory is the quest for the exact functional of density functional theory. Its existence is proven, but it is a complicated multivariable functional that is almost impossible to conceptualize. In this paper the asymmetric two-site Hubbard model is studied, which has a two-dimensional universe of density matrices. The exact functional becomes a simple function of two variables whose three-dimensional energy landscape can be visualized and explored. A walk on this unique landscape, tilted to an angle defined by the one-electron Hamiltonian, gives a valley whose minimum is the exact total energy. This is contrasted with the landscape of some approximate functionals, explaining their failure for electron transfer in the strongly correlated limit. We show concrete examples of pure-state density matrices that are not v representable due to the underlying nonconvex nature of the energy landscape. The exact functional is calculated for all numbers of electrons, including fractional, allowing the derivative discontinuity to be visualized and understood. The fundamental gap for all possible systems is obtained solely from the derivatives of the exact functional.

Conductance based characterization of structure and hopping site density in 2D molecule-nanoparticle arrays

NASA Astrophysics Data System (ADS)

McCold, Cliff E.; Fu, Qiang; Howe, Jane Y.; Hihath, Joshua

2015-09-01

Composite molecule-nanoparticle hybrid systems have recently emerged as important materials for applications ranging from chemical sensing to nanoscale electronics. However, creating reproducible and repeatable composite materials with precise properties has remained one of the primary challenges to the implementation of these technologies. Understanding the sources of variation that dominate the assembly and transport behavior is essential for the advancement of nanoparticle-array based devices. In this work, we use a combination of charge-transport measurements, electron microscopy, and optical characterization techniques to determine the role of morphology and structure on the charge transport properties of 2-dimensional monolayer arrays of molecularly-interlinked Au nanoparticles. Using these techniques we are able to determine the role of both assembly-dependent and particle-dependent defects on the conductivities of the films. These results demonstrate that assembly processes dominate the dispersion of conductance values, while nanoparticle and ligand features dictate the mean value of the conductance. By performing a systematic study of the conductance of these arrays as a function of nanoparticle size we are able to extract the carrier mobility for specific molecular ligands. We show that nanoparticle polydispersity correlates with the void density in the array, and that because of this correlation it is possible to accurately determine the void density within the array directly from conductance measurements. These results demonstrate that conductance-based measurements can be used to accurately and non-destructively determine the morphological and structural properties of these hybrid arrays, and thus provide a characterization platform that helps move 2-dimensional nanoparticle arrays toward robust and reproducible electronic systems.Composite molecule-nanoparticle hybrid systems have recently emerged as important materials for applications ranging from chemical sensing to nanoscale electronics. However, creating reproducible and repeatable composite materials with precise properties has remained one of the primary challenges to the implementation of these technologies. Understanding the sources of variation that dominate the assembly and transport behavior is essential for the advancement of nanoparticle-array based devices. In this work, we use a combination of charge-transport measurements, electron microscopy, and optical characterization techniques to determine the role of morphology and structure on the charge transport properties of 2-dimensional monolayer arrays of molecularly-interlinked Au nanoparticles. Using these techniques we are able to determine the role of both assembly-dependent and particle-dependent defects on the conductivities of the films. These results demonstrate that assembly processes dominate the dispersion of conductance values, while nanoparticle and ligand features dictate the mean value of the conductance. By performing a systematic study of the conductance of these arrays as a function of nanoparticle size we are able to extract the carrier mobility for specific molecular ligands. We show that nanoparticle polydispersity correlates with the void density in the array, and that because of this correlation it is possible to accurately determine the void density within the array directly from conductance measurements. These results demonstrate that conductance-based measurements can be used to accurately and non-destructively determine the morphological and structural properties of these hybrid arrays, and thus provide a characterization platform that helps move 2-dimensional nanoparticle arrays toward robust and reproducible electronic systems. Electronic supplementary information (ESI) available: Temperature dependent measurements, activation energies, particle size distributions, void density-polydispersity relation, and DLS data. See DOI: 10.1039/c5nr04460j

Emergent gauge fields and their nonperturbative effects in correlated electrons

NASA Astrophysics Data System (ADS)

Kim, Ki-Seok; Tanaka, Akihiro

2015-06-01

The history of modern condensed matter physics may be regarded as the competition and reconciliation between Stoner’s and Anderson’s physical pictures, where the former is based on momentum-space descriptions focusing on long wave-length fluctuations while the latter is based on real-space physics emphasizing emergent localized excitations. In particular, these two view points compete with each other in various nonperturbative phenomena, which range from the problem of high Tc superconductivity, quantum spin liquids in organic materials and frustrated spin systems, heavy-fermion quantum criticality, metal-insulator transitions in correlated electron systems such as doped silicons and two-dimensional electron systems, the fractional quantum Hall effect, to the recently discussed Fe-based superconductors. An approach to reconcile these competing frameworks is to introduce topologically nontrivial excitations into the Stoner’s description, which appear to be localized in either space or time and sometimes both, where scattering between itinerant electrons and topological excitations such as skyrmions, vortices, various forms of instantons, emergent magnetic monopoles, and etc. may catch nonperturbative local physics beyond the Stoner’s paradigm. In this review paper, we discuss nonperturbative effects of topological excitations on dynamics of correlated electrons. First, we focus on the problem of scattering between itinerant fermions and topological excitations in antiferromagnetic doped Mott insulators, expected to be relevant for the pseudogap phase of high Tc cuprates. We propose that nonperturbative effects of topological excitations can be incorporated within the perturbative framework, where an enhanced global symmetry with a topological term plays an essential role. In the second part, we go on to discuss the subject of symmetry protected topological states in a largely similar light. While we do not introduce itinerant fermions here, the nonperturbative dynamics of topological excitations is again seen to be crucial in classifying topologically nontrivial gapped systems. We point to some hidden links between several effective field theories with topological terms, starting with one-dimensional physics, and subsequently finding natural generalizations to higher dimensions.

Emergent Gauge Fields and Their Nonperturbative Effects in Correlated Electrons

NASA Astrophysics Data System (ADS)

Kim, Ki-Seok; Tanaka, Akihiro

The history of modern condensed matter physics may be regarded as the competition and reconciliation between Stoner's and Anderson's physical pictures, where the former is based on momentum-space descriptions focusing on long wave-length fluctuations while the latter is based on real-space physics emphasizing emergent localized excitations. In particular, these two view points compete with each other in various nonperturbative phenomena, which range from the problem of high Tc superconductivity, quantum spin liquids in organic materials and frustrated spin systems, heavy-fermion quantum criticality, metal-insulator transitions in correlated electron systems such as doped silicons and two-dimensional electron systems, the fractional quantum Hall effect, to the recently discussed Fe-based superconductors. An approach to reconcile these competing frameworks is to introduce topologically nontrivial excitations into the Stoner's description, which appear to be localized in either space or time and sometimes both, where scattering between itinerant electrons and topological excitations such as skyrmions, vortices, various forms of instantons, emergent magnetic monopoles, and etc. may catch nonperturbative local physics beyond the Stoner's paradigm. In this review article we discuss nonperturbative effects of topological excitations on dynamics of correlated electrons. First, we focus on the problem of scattering between itinerant fermions and topological excitations in antiferromagnetic doped Mott insulators, expected to be relevant for the pseudogap phase of high Tc cuprates. We propose that nonperturbative effects of topological excitations can be incorporated within the perturbative framework, where an enhanced global symmetry with a topological term plays an essential role. In the second part, we go on to discuss the subject of symmetry protected topological states in a largely similar light. While we do not introduce itinerant fermions here, the nonperturbative dynamics of topological excitations is again seen to be crucial in classifying topologically nontrivial gapped systems. We point to some hidden links between several effective field theories with topological terms, starting with one dimensional physics, and subsequently finding natural generalizations to higher dimensions.

Direct observation of multistep energy transfer in LHCII with fifth-order 3D electronic spectroscopy.

PubMed

Zhang, Zhengyang; Lambrev, Petar H; Wells, Kym L; Garab, Győző; Tan, Howe-Siang

2015-07-31

During photosynthesis, sunlight is efficiently captured by light-harvesting complexes, and the excitation energy is then funneled towards the reaction centre. These photosynthetic excitation energy transfer (EET) pathways are complex and proceed in a multistep fashion. Ultrafast two-dimensional electronic spectroscopy (2DES) is an important tool to study EET processes in photosynthetic complexes. However, the multistep EET processes can only be indirectly inferred by correlating different cross peaks from a series of 2DES spectra. Here we directly observe multistep EET processes in LHCII using ultrafast fifth-order three-dimensional electronic spectroscopy (3DES). We measure cross peaks in 3DES spectra of LHCII that directly indicate energy transfer from excitons in the chlorophyll b (Chl b) manifold to the low-energy level chlorophyll a (Chl a) via mid-level Chl a energy states. This new spectroscopic technique allows scientists to move a step towards mapping the complete complex EET processes in photosynthetic systems.

Eigenstates and dynamics of Hooke's atom: Exact results and path integral simulations

NASA Astrophysics Data System (ADS)

Gholizadehkalkhoran, Hossein; Ruokosenmäki, Ilkka; Rantala, Tapio T.

2018-05-01

The system of two interacting electrons in one-dimensional harmonic potential or Hooke's atom is considered, again. On one hand, it appears as a model for quantum dots in a strong confinement regime, and on the other hand, it provides us with a hard test bench for new methods with the "space splitting" arising from the one-dimensional Coulomb potential. Here, we complete the numerous previous studies of the ground state of Hooke's atom by including the excited states and dynamics, not considered earlier. With the perturbation theory, we reach essentially exact eigenstate energies and wave functions for the strong confinement regime as novel results. We also consider external perturbation induced quantum dynamics in a simple separable case. Finally, we test our novel numerical approach based on real-time path integrals (RTPIs) in reproducing the above. The RTPI turns out to be a straightforward approach with exact account of electronic correlations for solving the eigenstates and dynamics without the conventional restrictions of electronic structure methods.

Interfaces between strongly correlated oxides: controlling charge transfer and induced magnetism by hybridization

NASA Astrophysics Data System (ADS)

Bibes, Manuel

At interfaces between conventional materials, band bending and alignment are controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed valence has led to the discovery of novel two-dimensional states between simple band insulators such as LaAlO3 and SrTiO3. However, many oxides have a more complex electronic structure, with charge, orbital and/or spin orders arising from correlations between transition metal and oxygen ions. Strong correlations thus offer a rich playground to engineer functional interfaces but their compatibility with the classical band alignment picture remains an open question. In this talk we will show that beyond differences in electron affinities and polar effects, a key parameter determining charge transfer at correlated oxide interfaces is the energy required to alter the covalence of the metal-oxygen bond. Using the perovskite nickelate (RNiO3) family as a template, we have probed charge reconstruction at interfaces with gadolinium titanate GdTiO3 using soft X-ray absorption spectroscopy and hard X-ray photoemission spectroscopy. We show that the charge transfer is thwarted by hybridization effects tuned by the rare-earth (R) size. Charge transfer results in an induced ferromagnetic-like state in the nickelate (observed by XMCD), exemplifying the potential of correlated interfaces to design novel phases. Further, our work clarifies strategies to engineer two-dimensional systems through the control of both doping and covalence. Work supported by ERC CoG MINT #615759.

Superconductivity in engineered two-dimensional electron gases

NASA Astrophysics Data System (ADS)

Chubukov, Andrey V.; Kivelson, Steven A.

2017-11-01

We consider Kohn-Luttinger mechanism for superconductivity in a two-dimensional electron gas confined to a narrow well between two grounded metallic planes with two occupied subbands with Fermi momenta kF L>kF S . On the basis of a perturbative analysis, we conclude that non-s -wave superconductivity emerges even when the bands are parabolic. We analyze the conditions that maximize Tc as a function of the distance to the metallic planes, the ratio kF L/kF S , and rs, which measures the strength of Coulomb correlations. The largest attraction is in p -wave and d -wave channels, of which p wave is typically the strongest. For rs=O (1 ) we estimate that the dimensionless coupling λ ≈10-1 , but it likely continues increasing for larger rs (where we lose theoretical control).

Single organelle dynamics linked to 3D structure by correlative live-cell imaging and 3D electron microscopy.

PubMed

Fermie, Job; Liv, Nalan; Ten Brink, Corlinda; van Donselaar, Elly G; Müller, Wally H; Schieber, Nicole L; Schwab, Yannick; Gerritsen, Hans C; Klumperman, Judith

2018-05-01

Live-cell correlative light-electron microscopy (live-cell-CLEM) integrates live movies with the corresponding electron microscopy (EM) image, but a major challenge is to relate the dynamic characteristics of single organelles to their 3-dimensional (3D) ultrastructure. Here, we introduce focused ion beam scanning electron microscopy (FIB-SEM) in a modular live-cell-CLEM pipeline for a single organelle CLEM. We transfected cells with lysosomal-associated membrane protein 1-green fluorescent protein (LAMP-1-GFP), analyzed the dynamics of individual GFP-positive spots, and correlated these to their corresponding fine-architecture and immediate cellular environment. By FIB-SEM we quantitatively assessed morphological characteristics, like number of intraluminal vesicles and contact sites with endoplasmic reticulum and mitochondria. Hence, we present a novel way to integrate multiple parameters of subcellular dynamics and architecture onto a single organelle, which is relevant to address biological questions related to membrane trafficking, organelle biogenesis and positioning. Furthermore, by using CLEM to select regions of interest, our method allows for targeted FIB-SEM, which significantly reduces time required for image acquisition and data processing. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment.

PubMed

Giesbertz, Klaas J H; van Leeuwen, Robert

2014-05-14

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r12) depending on the interelectronic distance r12. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r12) needs to diverge for large r12 at large internuclear distances while for shorter bond distances it increases as a function of r12 to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

Correlating Intravital Multi-Photon Microscopy to 3D Electron Microscopy of Invading Tumor Cells Using Anatomical Reference Points

PubMed Central

Karreman, Matthia A.; Mercier, Luc; Schieber, Nicole L.; Shibue, Tsukasa; Schwab, Yannick; Goetz, Jacky G.

2014-01-01

Correlative microscopy combines the advantages of both light and electron microscopy to enable imaging of rare and transient events at high resolution. Performing correlative microscopy in complex and bulky samples such as an entire living organism is a time-consuming and error-prone task. Here, we investigate correlative methods that rely on the use of artificial and endogenous structural features of the sample as reference points for correlating intravital fluorescence microscopy and electron microscopy. To investigate tumor cell behavior in vivo with ultrastructural accuracy, a reliable approach is needed to retrieve single tumor cells imaged deep within the tissue. For this purpose, fluorescently labeled tumor cells were subcutaneously injected into a mouse ear and imaged using two-photon-excitation microscopy. Using near-infrared branding, the position of the imaged area within the sample was labeled at the skin level, allowing for its precise recollection. Following sample preparation for electron microscopy, concerted usage of the artificial branding and anatomical landmarks enables targeting and approaching the cells of interest while serial sectioning through the specimen. We describe here three procedures showing how three-dimensional (3D) mapping of structural features in the tissue can be exploited to accurately correlate between the two imaging modalities, without having to rely on the use of artificially introduced markers of the region of interest. The methods employed here facilitate the link between intravital and nanoscale imaging of invasive tumor cells, enabling correlating function to structure in the study of tumor invasion and metastasis. PMID:25479106

Scanning-tunneling microscope imaging of single-electron solitons in a material with incommensurate charge-density waves.

PubMed

Brazovskii, Serguei; Brun, Christophe; Wang, Zhao-Zhong; Monceau, Pierre

2012-03-02

We report on scanning-tunneling microscopy experiments in a charge-density wave (CDW) system allowing visually capturing and studying in detail the individual solitons corresponding to the self-trapping of just one electron. This "Amplitude Soliton" is marked by vanishing of the CDW amplitude and by the π shift of its phase. It might be the realization of the spinon--the long-sought particle (along with the holon) in the study of science of strongly correlated electronic systems. As a distinct feature we also observe one-dimensional Friedel oscillations superimposed on the CDW which develop independently of solitons.

Multidimensional Visualization of MHD and Turbulence in Fusion Plasmas [Multi-dimensional Visualization of Turbulence in Fusion Plasmas

DOE PAGES

Muscatello, Christopher M.; Domier, Calvin W.; Hu, Xing; ...

2014-08-13

Here, quasi-optical imaging at sub-THz frequencies has had a major impact on fusion plasma diagnostics. Mm-wave imaging reflectometry utilizes microwaves to actively probe fusion plasmas, inferring the local properties of electron density fluctuations. Electron cyclotron emission imaging is a multichannel radiometer that passively measures the spontaneous emission of microwaves from the plasma to infer local properties of electron temperature fluctuations. These imaging diagnostics work together to diagnose the characteristics of turbulence. Important quantities such as amplitude and wavenumber of coherent fluctuations, correlation lengths and decor relation times of turbulence, and poloidal flow velocity of the plasma are readily inferred.

Echo-Enabled X-Ray Vortex Generation

NASA Astrophysics Data System (ADS)

Hemsing, E.; Marinelli, A.

2012-11-01

A technique to generate high-brightness electromagnetic vortices with tunable topological charge at extreme ultraviolet and x-ray wavelengths is described. Based on a modified version of echo-enabled harmonic generation for free-electron lasers, the technique uses two lasers and two chicanes to produce high-harmonic microbunching of a relativistic electron beam with a corkscrew distribution that matches the instantaneous helical phase structure of the x-ray vortex. The strongly correlated electron distribution emerges from an efficient three-dimensional recoherence effect in the echo-enabled harmonic generation transport line and can emit fully coherent vortices in a downstream radiator for access to new research in x-ray science.

Magnetic Fluctuations in the Hubbard Model on Kagome-based Frustrated Lattices

NASA Astrophysics Data System (ADS)

Udagawa, Masafumi; Motome, Yukitoshi

2008-03-01

We report our results on the interplay between electron correlation and magnetic fluctuations in the geometrically-frustrated Kagome and hyper-Kagome Hubbard models at half filling. These models have two different geometrical units important in the low-energy physics: the frustrated triangle and the non-frustrated loop with even-number sites. In order to treat both of them on equal footing, we apply cluster dynamical mean-field theory to large-size clusters up to 12 sites. By calculating the spin susceptibility χ(q, φ), we have found in the Kagome system that an anomalous one-dimensional magnetic correlation previously found near the Mott transition [1] is observed even in the non-interacting case at high temperature, and its temperature range gradually suppressed by increasing electron correlation. This behavior is ascribed to the nesting property at the van-Hove singularity preserved under electron correlation. We will also present the results for hyper-Kagome system in relation to the recent experiments on Na4Ir3O8 [2]. [1] T. Ohashi et al., Phys. Rev. Lett. 97, 066401 (2006)[2] Y. Okamoto et al., Phys. Rev. Lett. 99, 137207 (2007)

Scanning tunneling spectroscopy study of the proximity effect in a disordered two-dimensional metal.

PubMed

Serrier-Garcia, L; Cuevas, J C; Cren, T; Brun, C; Cherkez, V; Debontridder, F; Fokin, D; Bergeret, F S; Roditchev, D

2013-04-12

The proximity effect between a superconductor and a highly diffusive two-dimensional metal is revealed in a scanning tunneling spectroscopy experiment. The in situ elaborated samples consist of superconducting single crystalline Pb islands interconnected by a nonsuperconducting atomically thin disordered Pb wetting layer. In the vicinity of each superconducting island the wetting layer acquires specific tunneling characteristics which reflect the interplay between the proximity-induced superconductivity and the inherent electron correlations of this ultimate diffusive two-dimensional metal. The observed spatial evolution of the tunneling spectra is accounted for theoretically by combining the Usadel equations with the theory of dynamical Coulomb blockade; the relevant length and energy scales are extracted and found in agreement with available experimental data.

Dimensionality of superconductivity in the layered organic material EtMe3P [Pd(dmit)2] 2 under pressure

NASA Astrophysics Data System (ADS)

Yamamoto, R.; Yanagita, Y.; Namaizawa, T.; Komuro, S.; Furukawa, T.; Itou, T.; Kato, R.

2018-06-01

We measured the ac magnetic susceptibility for the layered organic superconductor EtMe3P [Pd(dmit)2] 2 under pressure with a dc magnetic field applied perpendicular to the ac field. We investigated the dc field dependence of the ac susceptibility in detail and concluded that the superconductivity in EtMe3P [Pd(dmit)2] 2 is an anisotropic three-dimensional superconductivity even at low temperatures, which contrasts with the large majority of other correlated electron layered superconductors such as high-Tc cuprate and κ -(ET) 2X systems.

The derivative discontinuity of the exchange-correlation functional.

PubMed

Mori-Sánchez, Paula; Cohen, Aron J

2014-07-28

The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhibits derivative discontinuities with respect to different degrees of freedom that are a consequence of the integer nature of electrons. The classical understanding refers to the derivative discontinuity of the total energy as a function of the total number of electrons (N), but it can also manifest at constant N. Examples are shown in models including several hydrogen systems with varying numbers of electrons or nuclear charge (Z), as well as the 1-dimensional Hubbard model (1DHM). Two sides of the problem are investigated: first, the failure of currently used approximate exchange-correlation functionals in DFT and, second, the importance of the derivative discontinuity in the exact electronic structure of molecules, as revealed by full configuration interaction (FCI). Currently, all approximate functionals, including hybrids, miss the derivative discontinuity, leading to basic errors that can be seen in many ways: from the complete failure to give the total energy of H2 and H2(+), to the missing gap in Mott insulators such as stretched H2 and the thermodynamic limit of the 1DHM, or a qualitatively incorrect density in the HZ molecule with two electrons and incorrect electron transfer processes. Description of the exact particle behaviour of electrons is emphasised, which is key to many important physical processes in real systems, especially those involving electron transfer, and offers a challenge for the development of new exchange-correlation functionals.

Structural and opto-electronic properties of 2D AlSb monolayer

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

Singh, Deobrat, E-mail: deobratsingh9@gmail.com; Sonvane, Yogesh; Gupta, Sanjeev K.

2016-05-23

We have investigated dielectric function related optical properties such as refractive index, absorption coefficient of two-dimensional hexagonal system of aluminum antimony (AlSb). We have also find structural and electronic properties of AlSb which show direct/indirect band gap with planar structure, employing the density functional theory using the generalized gradient approximation (GGA) given by Perdew-Burke-Ernzerhof (PBE) functional for exchange-correlation potential. The refractive index n(ω) increases with frequency in the near infrared region but in visible region n(ω) increasing after decrease.

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.

Local switching of two-dimensional superconductivity using the ferroelectric field effect

NASA Astrophysics Data System (ADS)

Takahashi, K. S.; Gabay, M.; Jaccard, D.; Shibuya, K.; Ohnishi, T.; Lippmaa, M.; Triscone, J.-M.

2006-05-01

Correlated oxides display a variety of extraordinary physical properties including high-temperature superconductivity and colossal magnetoresistance. In these materials, strong electronic correlations often lead to competing ground states that are sensitive to many parameters-in particular the doping level-so that complex phase diagrams are observed. A flexible way to explore the role of doping is to tune the electron or hole concentration with electric fields, as is done in standard semiconductor field effect transistors. Here we demonstrate a model oxide system based on high-quality heterostructures in which the ferroelectric field effect approach can be studied. We use a single-crystal film of the perovskite superconductor Nb-doped SrTiO3 as the superconducting channel and ferroelectric Pb(Zr,Ti)O3 as the gate oxide. Atomic force microscopy is used to locally reverse the ferroelectric polarization, thus inducing large resistivity and carrier modulations, resulting in a clear shift in the superconducting critical temperature. Field-induced switching from the normal state to the (zero resistance) superconducting state was achieved at a well-defined temperature. This unique system could lead to a field of research in which devices are realized by locally defining in the same material superconducting and normal regions with `perfect' interfaces, the interface being purely electronic. Using this approach, one could potentially design one-dimensional superconducting wires, superconducting rings and junctions, superconducting quantum interference devices (SQUIDs) or arrays of pinning centres.

Influence of scattering processes on electron quantum states in nanowires

PubMed Central

Galenchik, Vadim; Borzdov, Andrei; Borzdov, Vladimir; Komarov, Fadei

2007-01-01

In the framework of quantum perturbation theory the self-consistent method of calculation of electron scattering rates in nanowires with the one-dimensional electron gas in the quantum limit is worked out. The developed method allows both the collisional broadening and the quantum correlations between scattering events to be taken into account. It is an alternativeper seto the Fock approximation for the self-energy approach based on Green’s function formalism. However this approach is free of mathematical difficulties typical to the Fock approximation. Moreover, the developed method is simpler than the Fock approximation from the computational point of view. Using the approximation of stable one-particle quantum states it is proved that the electron scattering processes determine the dependence of electron energy versus its wave vector.

Superconducting cuprate heterostructures for hot electron bolometers

NASA Astrophysics Data System (ADS)

Wen, B.; Yakobov, R.; Vitkalov, S. A.; Sergeev, A.

2013-11-01

Transport properties of the resistive state of quasi-two dimensional superconducting heterostructures containing ultrathin La2-xSrxCuO4 layers synthesized using molecular beam epitaxy are studied. The electron transport exhibits strong deviation from Ohm's law, δV ˜γI3, with a coefficient γ(T) that correlates with the temperature variation of the resistivity dρ /dT. Close to the normal state, analysis of the nonlinear behavior in terms of electron heating yields an electron-phonon thermal conductance per unit area ge -ph≈1 W/K cm2 at T = 20 K, one-two orders of magnitude smaller than in typical superconductors. This makes superconducting LaSrCuO heterostructures to be attractive candidate for the next generation of hot electron bolometers with greatly improved sensitivity.

Evidence for magnetic Weyl fermions in a correlated metal

NASA Astrophysics Data System (ADS)

Kuroda, K.; Tomita, T.; Suzuki, M.-T.; Bareille, C.; Nugroho, A. A.; Goswami, P.; Ochi, M.; Ikhlas, M.; Nakayama, M.; Akebi, S.; Noguchi, R.; Ishii, R.; Inami, N.; Ono, K.; Kumigashira, H.; Varykhalov, A.; Muro, T.; Koretsune, T.; Arita, R.; Shin, S.; Kondo, Takeshi; Nakatsuji, S.

2017-11-01

Weyl fermions have been observed as three-dimensional, gapless topological excitations in weakly correlated, inversion-symmetry-breaking semimetals. However, their realization in spontaneously time-reversal-symmetry-breaking phases of strongly correlated materials has so far remained hypothetical. Here, we report experimental evidence for magnetic Weyl fermions in Mn3Sn, a non-collinear antiferromagnet that exhibits a large anomalous Hall effect, even at room temperature. Detailed comparison between angle-resolved photoemission spectroscopy (ARPES) measurements and density functional theory (DFT) calculations reveals significant bandwidth renormalization and damping effects due to the strong correlation among Mn 3d electrons. Magnetotransport measurements provide strong evidence for the chiral anomaly of Weyl fermions--namely, the emergence of positive magnetoconductance only in the presence of parallel electric and magnetic fields. Since weak magnetic fields (approximately 10 mT) are adequate to control the distribution of Weyl points and the large fictitious fields (equivalent to approximately a few hundred T) produced by them in momentum space, our discovery lays the foundation for a new field of science and technology involving the magnetic Weyl excitations of strongly correlated electron systems such as Mn3Sn.

Observation of topological surface states and strong electron/hole imbalance in extreme magnetoresistance compound LaBi

NASA Astrophysics Data System (ADS)

Jiang, J.; Schröter, N. B. M.; Wu, S.-C.; Kumar, N.; Shekhar, C.; Peng, H.; Xu, X.; Chen, C.; Yang, H. F.; Hwang, C.-C.; Mo, S.-K.; Felser, C.; Yan, B. H.; Liu, Z. K.; Yang, L. X.; Chen, Y. L.

2018-02-01

The recent discovery of the extreme magnetoresistance (XMR) in the nonmagnetic rare-earth monopnictides La X (X = P, As, Sb, Bi,), a recently proposed new topological semimetal family, has inspired intensive research effort in the exploration of the correlation between the XMR and their electronic structures. In this work, using angle-resolved photoemission spectroscopy to investigate the three-dimensional band structure of LaBi, we unraveled its topologically nontrivial nature with the observation of multiple topological surface Dirac fermions, as supported by our ab initio calculations. Furthermore, we observed substantial imbalance between the volume of electron and hole pockets, which rules out the electron-hole compensation as the primary cause of the XMR in LaBi.

Contribution of high-resolution correlative imaging techniques in the study of the liver sieve in three-dimensions.

PubMed

Braet, Filip; Wisse, Eddie; Bomans, Paul; Frederik, Peter; Geerts, Willie; Koster, Abraham; Soon, Lilian; Ringer, Simon

2007-03-01

Correlative microscopy has become increasingly important for the analysis of the structure, function, and dynamics of cells. This is largely due to the result of recent advances in light-, probe-, laser- and various electron microscopy techniques that facilitate three-dimensional studies. Furthermore, the improved understanding in the past decade of imaging cell compartments in the third dimension has resulted largely from the availability of powerful computers, fast high-resolution CCD cameras, specifically developed imaging analysis software, and various probes designed for labeling living and or fixed cells. In this paper, we review different correlative high-resolution imaging methodologies and how these microscopy techniques facilitated the accumulation of new insights in the morpho-functional and structural organization of the hepatic sieve. Various aspects of hepatic endothelial fenestrae regarding their structure, origin, dynamics, and formation will be explored throughout this paper by comparing the results of confocal laser scanning-, correlative fluorescence and scanning electron-, atomic force-, and whole-mount electron microscopy. Furthermore, the recent advances of vitrifying cells with the vitrobot in combination with the glove box for the preparation of cells for cryo-electron microscopic investigation will be discussed. Finally, the first transmission electron tomography data of the liver sieve in three-dimensions are presented. The obtained data unambiguously show the involvement of special domains in the de novo formation and disappearance of hepatic fenestrae, and focuses future research into the (supra)molecular structure of the fenestrae-forming center, defenestration center and fenestrae-, and sieve plate cytoskeleton ring by using advanced cryo-electron tomography. (c) 2007 Wiley-Liss, Inc.

First-principles modeling of titanate/ruthenate superlattices

NASA Astrophysics Data System (ADS)

Junquera, Javier

2013-03-01

The possibility to create highly confined two-dimensional electron gases (2DEG) at oxide interfaces has generated much excitement during the last few years. The most widely studied system is the 2DEG formed at the LaO/TiO2 polar interface between LaAlO3 and SrTiO3, where the polar catastrophe at the interface has been invoked as the driving force. More recently, partial or complete delta doping of the Sr or Ti cations at a single layer of a SrTiO3 matrix has also been used to generate 2DEG. Following this recipe, we report first principles characterization of the structural and electronic properties of (SrTiO3)5/(SrRuO3)1 superlattices, where all the Ti of a given layer have been replaced by Ru. We show that the system exhibits a spin-polarized two-dimensional electron gas extremely confined to the 4 d orbitals of Ru in the SrRuO3 layer, a fact that is independent of the level of correlation included in the simulations. For hybrid functionals or LDA+U, every interface in the superlattice behaves as minority-spin half-metal ferromagnet, with a magnetic moment of μ = 2.0 μB/SrRuO3 unit. The shape of the electronic density of states, half metallicity and magnetism are explained in terms of a simplified tight-binding model, considering only the t2 g orbitals plus (i) the bi-dimensionality of the system, and (ii) strong electron correlations. Possible applications are discussed, from their eventual role in thermoelectric applications to the possible tuning of ferromagnetic properties of the 2DEG with the polarization of the dielectric. Work done in collaboration with P. García, M. Verissimo-Alves, D. I. Bilc, and Ph. Ghosez. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes.'' The authors thankfully acknowledge the computer resources, technical expertise and assistance provided by the BSC/RES.

Excitonic Instability and Pseudogap Formation in Nodal Line Semimetal ZrSiS

NASA Astrophysics Data System (ADS)

Rudenko, A. N.; Stepanov, E. A.; Lichtenstein, A. I.; Katsnelson, M. I.

2018-05-01

Electron correlation effects are studied in ZrSiS using a combination of first-principles and model approaches. We show that basic electronic properties of ZrSiS can be described within a two-dimensional lattice model of two nested square lattices. A high degree of electron-hole symmetry characteristic for ZrSiS is one of the key features of this model. Having determined model parameters from first-principles calculations, we then explicitly take electron-electron interactions into account and show that, at moderately low temperatures, ZrSiS exhibits excitonic instability, leading to the formation of a pseudogap in the electronic spectrum. The results can be understood in terms of Coulomb-interaction-assisted pairing of electrons and holes reminiscent of that of an excitonic insulator. Our finding allows us to provide a physical interpretation of the unusual mass enhancement of charge carriers in ZrSiS recently observed experimentally.

Correlating hydrodynamic radii with that of two-dimensional nanoparticles

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

Yue, Yuan; Kan, Yuwei; Clearfield, Abraham

2015-12-21

Dynamic light scattering (DLS) is one of the most adapted methods to measure the size of nanoparticles, as referred to the hydrodynamic radii (R{sub h}). However, the R{sub h} represents only that of three-dimensional spherical nanoparticles. In the present research, the size of two-dimensional (2D) nanoparticles of yttrium oxide (Y{sub 2}O{sub 3}) and zirconium phosphate (ZrP) was evaluated through comparing their hydrodynamic diameters via DLS with lateral sizes obtained using scanning and transmission electron microscopy. We demonstrate that the hydrodynamic radii are correlated with the lateral sizes of both square and circle shaped 2D nanoparticles. Two proportional coefficients, i.e., correctingmore » factors, are proposed for the Brownian motion status of 2D nanoparticles. The correction is possible by simplifying the calculation of integrals in the case of small thickness approximation. The correcting factor has great significance for investigating the translational diffusion behavior of 2D nanoparticles in a liquid and in effective and low-cost measurement in terms of size and morphology of shape-specific nanoparticles.« less

Engineering two-dimensional superconductivity and Rashba spin–orbit coupling in LaAlO 3/SrTiO 3 quantum wells by selective orbital occupancy

DOE PAGES

Herranz, Gervasi; Singh, Gyanendra; Bergeal, Nicolas; ...

2015-01-13

We find the discovery of two-dimensional electron gases (2DEGs) at oxide interfaces—involving electrons in narrow d-bands—has broken new ground, enabling the access to correlated states that are unreachable in conventional semiconductors based on s- and p- electrons. There is a growing consensus that emerging properties at these novel quantum wells—such as 2D superconductivity and magnetism—are intimately connected to specific orbital symmetries in the 2DEG sub-band structure. Here we show that crystal orientation allows selective orbital occupancy, disclosing unprecedented ways to tailor the 2DEG properties. By carrying out electrostatic gating experiments in ​LaAlO 3/​SrTiO 3 wells of different crystal orientations, wemore » show that the spatial extension and anisotropy of the 2D superconductivity and the Rashba spin–orbit field can be largely modulated by controlling the 2DEG sub-band filling. Such an orientational tuning expands the possibilities for electronic engineering of 2DEGs at ​LaAlO 3/​SrTiO 3 interfaces.« less

Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes

DOE PAGES

Liu, Yuanyue; Xiao, Hai; Goddard, III, William A.

2016-11-22

Two-dimensional (2D) metal carbides and nitrides, called MXenes, have attracted great interest for applications such as energy storage. Here we demonstrate their potential as Schottky-barrier-free metal contacts to 2D semiconductors, providing a solution to the contact-resistance problem in 2D electronics. Based on first principles calculations, we find that the surface chemistry strongly affects the Fermi level of MXenes: O termination always increases the work function with respect to that of bare surface, OH always decreases it, while F exhibits either trend depending on the specific material. This phenomenon originates from the effect of surface dipoles, which together with the weakmore » Fermi level pinning, enable Schottky-barrier-free hole (or electron) injection into 2D semiconductors through van der Waals junctions with some of the O-terminated (or all the OH-terminated) MXenes. Furthermore, we suggest synthetic routes to control the surface terminations based on the calculated formation energies. Finally, this study enhances the understanding of the correlation between surface chemistry and electronic/transport properties of 2D materials, and also gives practical predictions for improving 2D electronics.« less

Structural, Optical, and Photocatalytic Properties of Quasi-One-Dimensional Nanocrystalline ZnO, ZnOC:nC Composites, and C-doped ZnO

NASA Astrophysics Data System (ADS)

Shalaeva, E. V.; Gyrdasova, O. I.; Krasilnikov, V. N.; Melkozerova, M. A.; Baklanova, I. V.; Buldakova, L. Yu.

Various thermolysis rotes of zinc glicolate complexes are considered for the synthesis of quasi-one-dimensional nanostructured aggregates ZnO and Zn-O-C used as photocatalysts. Structural features of quasi-one-dimensional aggregates Zn-O-C and ZnO are investigated in detail. Transmission electron microscopy, Raman spectroscopy, and electron paramagnetic resonance spectroscopy methods demonstrate that the aggregates Zn-O-C have either composite structure (ZnO crystallites in amorphous carbon matrix) or a C-doped ZnO single-phase structure depending on heat treatment conditions, and that all the aggregates exhibit as a rule a tubular morphology, a nanocrystalline structure with a high specific surface area, and a high concentration of singly charged oxygen vacancies. The mechanism of the nanocrystalline structure formation is discussed and the effect of thermolysis condition on the formation of the textured structure of aggregates is investigated. The results of examination of the photocatalytic and optical absorption properties of the synthesized aggregates are presented. The photocatalytic activity for the hydroquinone oxidation reaction under ultraviolet and visible light increases in the series: the reference ZnO powder, quasi-one-dimensional ZnO, quasi-one-dimensional aggregates C-doped ZnO, and this tendency correlates with the reduction of the optical gap width. As a result of our studies, we have arrived at an important conclusion that thermal treatment of ZnO:nC composites allows a C-doped ZnO with high catalytic activity. This increasing photoactivity of C-doped ZnO aggregates is attributed to the optimal specific surface area and electron-energy spectrum restructuring to be produced owing to the presence of singly charged oxygen vacancies and carbon dissolved in the ZnO lattice.

Unconventional superconductivity in magic-angle graphene superlattices

NASA Astrophysics Data System (ADS)

Cao, Yuan; Fatemi, Valla; Fang, Shiang; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Jarillo-Herrero, Pablo

2018-04-01

The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity—which cannot be explained by weak electron–phonon interactions—in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°—the first ‘magic’ angle—the electronic band structure of this ‘twisted bilayer graphene’ exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature–carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 1011 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.

Influence of molecular designs on polaronic and vibrational transitions in a conjugated push-pull copolymer

NASA Astrophysics Data System (ADS)

Cobet, Christoph; Gasiorowski, Jacek; Menon, Reghu; Hingerl, Kurt; Schlager, Stefanie; White, Matthew S.; Neugebauer, Helmut; Sariciftci, N. Serdar; Stadler, Philipp

2016-10-01

Electron-phonon interactions of free charge-carriers in doped pi-conjugated polymers are conceptually described by 1-dimensional (1D) delocalization. Thereby, polaronic transitions fit the 1D-Froehlich model in quasi-confined chains. However, recent developments in conjugated polymers have diversified the backbones to become elaborate heterocylcic macromolecules. Their complexity makes it difficult to investigate the electron-phonon coupling. In this work we resolve the electron-phonon interactions in the ground and doped state in a complex push-pull polymer. We focus on the polaronic transitions using in-situ spectroscopy to work out the differences between single-unit and push-pull systems to obtain the desired structural- electronic correlations in the doped state. We apply the classic 1D-Froehlich model to generate optical model fits. Interestingly, we find the 1D-approach in push-pull polarons in agreement to the model, pointing at the strong 1D-character and plain electronic structure of the push-pull structure. In contrast, polarons in the single-unit polymer emerge to a multi- dimensional problem difficult to resolve due to their anisotropy. Thus, we report an enhancement of the 1D-character by the push-pull concept in the doped state - an important view in light of the main purpose of push-pull polymers for photovoltaic devices.

Methods of video and shearography inspection

NASA Technical Reports Server (NTRS)

Lansing, Matthew D.; Bullock, Michael W.; Gnacek, William J.

1995-01-01

The goal of this research effort was to study methods of video image correlation and electronic shearography for nondestructive evaluation of aerospace components. Methods of physical load application must be developed before interrogations with these methods may be used to qualify hardware. To that end, inspection procedures were developed for a variety of aerospace components and material systems. Experiments were also conducted from which the relationship between the control settings of the electronic shearography apparatus may be related to flaw detectability. A short feasibility study was conducted to determine the applicability of electronic shearography to the determination of the stress intensity factor of a Mode 1 crack tip by measurement of the localized zone of three dimensional plasticity

Cooper pair induced frustration and nematicity of two-dimensional magnetic adatom lattices

NASA Astrophysics Data System (ADS)

Schecter, Michael; Syljuâsen, Olav F.; Paaske, Jens

2018-05-01

We propose utilizing the Cooper pair to induce magnetic frustration in systems of two-dimensional (2D) magnetic adatom lattices on s -wave superconducting surfaces. The competition between singlet electron correlations and the RKKY coupling is shown to lead to a variety of hidden-order states that break the point-group symmetry of the 2D adatom lattice at finite temperature. The phase diagram is constructed using a newly developed effective bond theory [M. Schecter et al., Phys. Rev. Lett. 119, 157202 (2017), 10.1103/PhysRevLett.119.157202], and exhibits broad regions of long-range vestigial nematic order.

Surface Acoustic Wave Study of Exciton Condensation in Bilayer Quantum Hall Systems

NASA Astrophysics Data System (ADS)

Pollanen, J.; Eisenstein, J. P.; Pfeiffer, L. N.; West, K. W.

In bilayer two-dimensional electron systems (2DES) in GaAs a strongly correlated many-electron state forms at low temperature and high magnetic field when the total electron density nT becomes equal to the degeneracy of a single spin split Landau level. This state corresponds to a total filling factor νT = 1 and can be described in terms of pseudospin ferromagnetism, or equivalently, Bose condensation of bilayer excitons. We have simultaneously measured magneto-transport and the propagation of pulsed surface acoustic waves (SAWs) at a frequency of 747 MHz to explore the phase transition between two independent layers at νT = 1 / 2 + 1 / 2 and the correlated state at νT = 1 in a high quality double quantum well device. We tune through this transition by varying the total electron density in our device with front and backside electrostatic gates. We acknowledge funding provided by the Institute for Quantum Information and Matter, an NSF Physics Frontiers Center (NFS Grant PHY-1125565) with support of the Gordon and Betty Moore Foundation (GBMF-12500028).

Probing condensed matter physics with magnetometry based on nitrogen-vacancy centres in diamond

NASA Astrophysics Data System (ADS)

Casola, Francesco; van der Sar, Toeno; Yacoby, Amir

2018-01-01

The magnetic fields generated by spins and currents provide a unique window into the physics of correlated-electron materials and devices. First proposed only a decade ago, magnetometry based on the electron spin of nitrogen-vacancy (NV) defects in diamond is emerging as a platform that is excellently suited for probing condensed matter systems; it can be operated from cryogenic temperatures to above room temperature, has a dynamic range spanning from direct current to gigahertz and allows sensor-sample distances as small as a few nanometres. As such, NV magnetometry provides access to static and dynamic magnetic and electronic phenomena with nanoscale spatial resolution. Pioneering work has focused on proof-of-principle demonstrations of its nanoscale imaging resolution and magnetic field sensitivity. Now, experiments are starting to probe the correlated-electron physics of magnets and superconductors and to explore the current distributions in low-dimensional materials. In this Review, we discuss the application of NV magnetometry to the exploration of condensed matter physics, focusing on its use to study static and dynamic magnetic textures and static and dynamic current distributions.

Dual-Gate Modulation of Carrier Density and Disorder in an Oxide Two-Dimensional Electron System

DOE PAGES

Chen, Zhuoyu; Yuan, Hongtao; Xie, Yanwu; ...

2016-09-08

Carrier density and disorder are two crucial parameters that control the properties of correlated two-dimensional electron systems. Furthermore, in order to disentangle their individual contributions to quantum phenomena, independent tuning of these two parameters is required. By utilizing a hybrid liquid/solid electric dual-gate geometry acting on the conducting LaAlO 3/SrTiO 3 heterointerface, we obtain an additional degree of freedom to strongly modify the electron confinement profile and thus the strength of interfacial scattering, independent from the carrier density. A dual-gate controlled nonlinear Hall effect is a direct manifestation of this profile, which can be quantitatively understood by a Poisson–Schrödinger sub-bandmore » model. In particular, the large nonlinear dielectric response of SrTiO 3 enables a very wide range of tunable density and disorder, far beyond that for conventional semiconductors. This study provides a broad framework for understanding various reported phenomena at the LaAlO 3/SrTiO 3 interface.« less

Phase competition in a one-dimensional three-orbital Hubbard-Holstein model

NASA Astrophysics Data System (ADS)

Li, Shaozhi; Tang, Yanfei; Maier, Thomas A.; Johnston, Steven

2018-05-01

We study the interplay between the electron-phonon (e -ph) and on-site electron-electron (e-e) interactions in a three-orbital Hubbard-Holstein model on an extended one-dimensional lattice using determinant quantum Monte Carlo. For weak e-e and e -ph interactions, we observe a competition between an orbital-selective Mott phase (OSMP) and a (multicomponent) charge-density-wave (CDW) insulating phase, with an intermediate metallic phase located between them. For large e-e and e -ph couplings, the OSMP and CDW phases persist, while the metallic phase develops short-range orbital correlations and becomes insulating when both the e-e and e -ph interactions are large but comparable. Many of our conclusions are in line with those drawn from a prior dynamical mean-field theory study of the two-orbital Hubbard-Holstein model [Phys. Rev. B 95, 121112(R) (2017), 10.1103/PhysRevB.95.121112] in infinite dimension, suggesting that the competition between the e -ph and e-e interactions in multiorbital Hubbard-Holstein models leads to rich physics, regardless of the dimension of the system.

Magnetic effects in sulfur-decorated graphene.

PubMed

Hwang, Choongyu; Cybart, Shane A; Shin, S J; Kim, Sooran; Kim, Kyoo; Rappoport, T G; Wu, S M; Jozwiak, C; Fedorov, A V; Mo, S-K; Lee, D-H; Min, B I; Haller, E E; Dynes, R C; Castro Neto, A H; Lanzara, Alessandra

2016-02-18

The interaction between two different materials can present novel phenomena that are quite different from the physical properties observed when each material stands alone. Strong electronic correlations, such as magnetism and superconductivity, can be produced as the result of enhanced Coulomb interactions between electrons. Two-dimensional materials are powerful candidates to search for the novel phenomena because of the easiness of arranging them and modifying their properties accordingly. In this work, we report magnetic effects in graphene, a prototypical non-magnetic two-dimensional semi-metal, in the proximity with sulfur, a diamagnetic insulator. In contrast to the well-defined metallic behaviour of clean graphene, an energy gap develops at the Fermi energy for the graphene/sulfur compound with decreasing temperature. This is accompanied by a steep increase of the resistance, a sign change of the slope in the magneto-resistance between high and low fields, and magnetic hysteresis. A possible origin of the observed electronic and magnetic responses is discussed in terms of the onset of low-temperature magnetic ordering. These results provide intriguing insights on the search for novel quantum phases in graphene-based compounds.

Massive Dirac fermions in a ferromagnetic kagome metal

NASA Astrophysics Data System (ADS)

Ye, Linda; Kang, Mingu; Liu, Junwei; von Cube, Felix; Wicker, Christina R.; Suzuki, Takehito; Jozwiak, Chris; Bostwick, Aaron; Rotenberg, Eli; Bell, David C.; Fu, Liang; Comin, Riccardo; Checkelsky, Joseph G.

2018-03-01

The kagome lattice is a two-dimensional network of corner-sharing triangles that is known to host exotic quantum magnetic states. Theoretical work has predicted that kagome lattices may also host Dirac electronic states that could lead to topological and Chern insulating phases, but these states have so far not been detected in experiments. Here we study the d-electron kagome metal Fe3Sn2, which is designed to support bulk massive Dirac fermions in the presence of ferromagnetic order. We observe a temperature-independent intrinsic anomalous Hall conductivity that persists above room temperature, which is suggestive of prominent Berry curvature from the time-reversal-symmetry-breaking electronic bands of the kagome plane. Using angle-resolved photoemission spectroscopy, we observe a pair of quasi-two-dimensional Dirac cones near the Fermi level with a mass gap of 30 millielectronvolts, which correspond to massive Dirac fermions that generate Berry-curvature-induced Hall conductivity. We show that this behaviour is a consequence of the underlying symmetry properties of the bilayer kagome lattice in the ferromagnetic state and the atomic spin–orbit coupling. This work provides evidence for a ferromagnetic kagome metal and an example of emergent topological electronic properties in a correlated electron system. Our results provide insight into the recent discoveries of exotic electronic behaviour in kagome-lattice antiferromagnets and may enable lattice-model realizations of fractional topological quantum states.

Single electron dynamics in a Hall thruster electromagnetic field profile

NASA Astrophysics Data System (ADS)

Marini, Samuel; Pakter, Renato

2017-05-01

In this work, the single electron dynamics in a simplified three dimensional Hall thruster model is studied. Using Hamiltonian formalism and the concept of limiting curves, one is able to determine confinement conditions for the electron in the acceleration channel. It is shown that as a given parameter of the electromagnetic field is changed, the particle trajectory may transit from regular to chaotic without affecting the confinement, which allows one to make a detailed analysis of the role played by the chaos. The ionization volume is also computed, which measures the probability of an electron to ionize background gas atoms. It is found that there is a great correlation between chaos and increased effective ionization volume. This indicates that a complex dynamical behavior may improve the device efficiency by augmenting the ionization capability of each electron, requiring an overall lower electron current.

The 13C nuclear magnetic resonance in graphite intercalation compounds

NASA Technical Reports Server (NTRS)

Tsang, T.; Resing, H. A.

1985-01-01

The (13)C NMR chemical shifts of graphite intercalation compounds were calculated. For acceptor types, the shifts come mainly from the paramagnetic (Ramsey) intra-atomic terms. They are related to the gross features of the two-dimensional band structures. The calculated anisotropy is about -140 ppm and is independent of the finer details such as charge transfer. For donor types, the carbon 2p pi orbitals are spin-polarized because of mixing with metal conduction electrons, thus there is an additional dipolar contribution which may be correlated with the electronic specific heat. The general agreement with experimental data is satisfactory.

C-13 nuclear magnetic resonance in graphite intercalation compounds

NASA Technical Reports Server (NTRS)

Tsang, T.; Resing, H. A.

1985-01-01

The C-13 NMR chemical shifts of graphite intercalation compounds have been calculated. For acceptor types, the shifts come mainly from the paramagnetic (Ramsey) intra-atomic terms. They are related to the gross features of the two-dimensional band structures. The calculated anisotropy is about - 140 ppm and is independent of the finer details such as charge transfer. For donor types, the carbon 2p pi orbitals are spin-polarized because of mixing with metal-conduction electrons, thus there is an additional dipolar contribution which may be correlated with the electronic specific heat. The general agreement with experimental data is satisfactory.

Remote sensor response study in the regime of the microwave radiation-induced magnetoresistance oscillations

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

Ye, Tianyu; Mani, R. G.; Wegscheider, W.

2013-11-04

A concurrent remote sensing and magneto-transport study of the microwave excited two dimensional electron system (2DES) at liquid helium temperatures has been carried out using a carbon detector to remotely sense the microwave activity of the 2D electron system in the GaAs/AlGaAs heterostructure during conventional magneto-transport measurements. Various correlations are observed and reported between the oscillatory magnetotransport and the remotely sensed reflection. In addition, the oscillatory remotely sensed signal is shown to exhibit a power law type variation in its amplitude, similar to the radiation-induced magnetoresistance oscillations.

Fermi surface ridge at second and third Umklapp positron annihilations in Y Ba2Cu3O(7-delta)

NASA Astrophysics Data System (ADS)

Adam, G.; Adam, S.; Barbiellini, B.; Hoffmann, L.; Manuel, A. A.; Massidda, S.; Peter, M.

1993-06-01

Results of statistical noise smoothing of the electron momentum distribution obtained by two-dimensional angular correlation of the electron-positron annihilation radiation technique on untwinned YBa2Cu3O(7-delta) single crystals are reported. Two distinct signatures of the sheet of Fermi surface related to the CuO chains (the ridge) are resolved. The first occurs at second Umklapp processes, in agreement with previous evidence. The second one, identified for the first time, occurs at third Umklapp processes. Comparison with FLAPW calculations confirms this result.

Fermi surface ridge at second and third UMKLAPP positron annihilations in YBa 2Cu 3O 7- δ

NASA Astrophysics Data System (ADS)

Adam, Gh.; Adam, S.; Barbiellini, B.; Hoffmann, L.; Manuel, A. A.; Peter, M.; Massida, S.

1993-12-01

Results of statistical noise smoothing of the electron momentum distribution got by two-dimensional angular correlation of the electron-positron annihilation radiation technique on untwinned YBa 2Cu 3O 7- δ single crystals are reported. Two distinct signatures of the sheet of Fermi surface related to the CuO chains (the ridge) are resolved. The first occurs at second Umklapp processes, in agreement with previous evidence. The second one, identified for the first time, occurs at third Umklapp processes. Comparison with FLAPW calculations confirms this result.

Effects of calcium leaching on diffusion properties of hardened and altered cement pastes

NASA Astrophysics Data System (ADS)

Kurumisawa, Kiyofumi; Haga, Kazuko; Hayashi, Daisuke; Owada, Hitoshi

2017-06-01

It is very important to predict alterations in the concrete used for fabricating disposal containers for radioactive waste. Therefore, it is necessary to understand the alteration of cementitious materials caused by calcium leaching when they are in contact with ground water in the long term. To evaluate the long-term transport characteristics of cementitious materials, the microstructural behavior of these materials should be considered. However, many predictive models of transport characteristics focus on the pore structure, while only few such models consider both, the spatial distribution of calcium silicate hydrate (C-S-H), portlandite, and the pore spaces. This study focused on the spatial distribution of these cement phases. The auto-correlation function of each phase of cementitious materials was calculated from two-dimensional backscattered electron imaging, and the three-dimensional spatial image of the cementitious material was produced using these auto-correlation functions. An attempt was made to estimate the diffusion coefficient of chloride from the three-dimensional spatial image. The estimated diffusion coefficient of the altered sample from the three-dimensional spatial image was found to be comparable to the measured value. This demonstrated that it is possible to predict the diffusion coefficient of the altered cement paste by using the proposed model.

Interlayer tunneling in a strongly correlated electron-phonon system

NASA Astrophysics Data System (ADS)

Mierzejewski, M.; Zieliński, J.

1996-10-01

We discuss the role of interlayer tunneling for superconducting properties of strongly correlated (U-->∞ limit) two-layer Hubbard model coupled to phonons. Strong correlations are taken into account within the mean-field approximation for auxiliary boson fields. To consider phonon-mediated and interlayer tunneling contribution to superconductivity on equal footing we incorporate the tunneling term into the generalized Eliashberg equations. This leads to the modification of the phonon-induced pairing kernel and implies a pronounced enhancement of the superconducting transition temperature in the d-wave channel for moderate doping. In numerical calculations the two-dimensional band structure has been explicitly taken into account. The relevance of our results for high-temperature superconductors is briefly discussed.

Fractional Wigner Crystal in the Helical Luttinger Liquid.

PubMed

Traverso Ziani, N; Crépin, F; Trauzettel, B

2015-11-13

The properties of the strongly interacting edge states of two dimensional topological insulators in the presence of two-particle backscattering are investigated. We find an anomalous behavior of the density-density correlation functions, which show oscillations that are neither of Friedel nor of Wigner type: they, instead, represent a Wigner crystal of fermions of fractional charge e/2, with e the electron charge. By studying the Fermi operator, we demonstrate that the state characterized by such fractional oscillations still bears the signatures of spin-momentum locking. Finally, we compare the spin-spin correlation functions and the density-density correlation functions to argue that the fractional Wigner crystal is characterized by a nontrivial spin texture.

Phase transitions in the first-passage time of scale-invariant correlated processes

PubMed Central

Carretero-Campos, Concepción; Bernaola-Galván, Pedro; Ch. Ivanov, Plamen

2012-01-01

A key quantity describing the dynamics of complex systems is the first-passage time (FPT). The statistical properties of FPT depend on the specifics of the underlying system dynamics. We present a unified approach to account for the diversity of statistical behaviors of FPT observed in real-world systems. We find three distinct regimes, separated by two transition points, with fundamentally different behavior for FPT as a function of increasing strength of the correlations in the system dynamics: stretched exponential, power-law, and saturation regimes. In the saturation regime, the average length of FPT diverges proportionally to the system size, with important implications for understanding electronic delocalization in one-dimensional correlated-disordered systems. PMID:22400544

Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

NASA Astrophysics Data System (ADS)

Ono, Junichi; Takada, Shoji; Saito, Shinji

2015-06-01

An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchical conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.

Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

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

Ono, Junichi; Takada, Shoji; Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502

2015-06-07

An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchicalmore » conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.« less

Relationships for electron-vibrational coupling in conjugated π organic systems

NASA Astrophysics Data System (ADS)

O'Neill, L.; Lynch, P.; McNamara, M.; Byrne, H. J.

2005-06-01

A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Stokes shift also exhibited a well-defined relationship with increasing conjugation length, implying a correlation between the electron-vibrational coupling and chain length. This correlation is further examined using Raman spectroscopy, whereby the integrated Raman scattering is seen to behave superlinearly with chain length. There is a clear indication that the vibrational activity and thus nonradiative decay processes are controllable through molecular structure. The correlations between the Stokes energies and the vibrational structure are also observed in a selection of PPV based polymers and a clear trend of increasing luminescence efficiency with decreasing vibrational activity and Stokes shift is observable. The implications of such structure property relationships in terms of materials design are discussed.

Quasiparticle interference and strong electron-mode coupling in the quasi-one-dimensional bands of Sr2RuO4

NASA Astrophysics Data System (ADS)

Wang, Zhenyu; Walkup, Daniel; Derry, Philip; Scaffidi, Thomas; Rak, Melinda; Vig, Sean; Kogar, Anshul; Zeljkovic, Ilija; Husain, Ali; Santos, Luiz H.; Wang, Yuxuan; Damascelli, Andrea; Maeno, Yoshiteru; Abbamonte, Peter; Fradkin, Eduardo; Madhavan, Vidya

2017-08-01

The single-layered ruthenate Sr2RuO4 is presented as a potential spin-triplet superconductor with an order parameter that may break time-reversal invariance and host half-quantized vortices with Majorana zero modes. Although the actual nature of the superconducting state is still a matter of controversy, it is believed to condense from a metallic state that is well described by a conventional Fermi liquid. In this work we use a combination of Fourier transform scanning tunnelling spectroscopy (FT-STS) and momentum-resolved electron energy loss spectroscopy (M-EELS) to probe interaction effects in the normal state of Sr2RuO4. Our high-resolution FT-STS data show signatures of the β-band with a distinctly quasi-one-dimensional (1D) character. The band dispersion reveals surprisingly strong interaction effects that dramatically renormalize the Fermi velocity, suggesting that the normal state of Sr2RuO4 is that of a `correlated metal' where correlations are strengthened by the quasi-1D nature of the bands. In addition, kinks at energies of approximately 10 meV, 38 meV and 70 meV are observed. By comparing STM and M-EELS data we show that the two higher energy features arise from coupling with collective modes. The strong correlation effects and the kinks in the quasi-1D bands could provide important information for understanding the superconducting state.

Polarization-dependent plasmonic photocurrents in two-dimensional electron systems

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

Popov, V. V., E-mail: popov-slava@yahoo.co.uk; Saratov State University, Saratov 410012; Saratov Scientific Center of the Russian Academy of Sciences, Saratov 410028

2016-06-27

Plasmonic polarization dependent photocurrents in a homogeneous two-dimensional electron system are studied. Those effects are completely different from the photon drag and electronic photogalvanic effects as well as from the plasmonic ratchet effect in a density modulated two-dimensional electron system. Linear and helicity-dependent contributions to the photocurrent are found. The linear contribution can be interpreted as caused by the longitudinal and transverse plasmon drag effect. The helicity-dependent contribution originates from the non-linear electron convection and changes its sign with reversing the plasmonic field helicity. It is shown that the helicity-dependent component of the photocurrent can exceed the linear one bymore » several orders of magnitude in high-mobility two-dimensional electron systems. The results open possibilities for all-electronic detection of the radiation polarization states by exciting the plasmonic photocurrents in two-dimensional electron systems.« less

Terahertz Spectroscopy of Low-Dimensional Nanomaterials: Nonlinear Emission and Ultrafast Electrodynamics

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

Luo, Liang; Wang, Jigang

Nonlinear and non-equilibrium properties of low-dimensional quantum materials are fundamental in nanoscale science yet transformative in nonlinear imaging/photonic technology today. These have been poorly addressed in many nano-materials despite of their well-established equilibrium optical and transport properties. The development of ultrafast terahertz (THz) sources and nonlinear spectroscopy tools facilitates understanding these issues and reveals a wide range of novel nonlinear and quantum phenomena that are not expected in bulk solids or atoms. In this paper, we discuss our recent discoveries in two model photonic and electronic nanostructures to solve two outstanding questions: (1) how to create nonlinear broadband terahertz emittersmore » using deeply subwavelength nanoscale meta-atom resonators? (2) How to access one-dimensional (1D) dark excitons and their non-equilibrium correlated states in single-walled carbon nanotubes (SWMTs)?« less

Terahertz Spectroscopy of Low-Dimensional Nanomaterials: Nonlinear Emission and Ultrafast Electrodynamics

DOE PAGES

Luo, Liang; Wang, Jigang

2016-01-01

Nonlinear and non-equilibrium properties of low-dimensional quantum materials are fundamental in nanoscale science yet transformative in nonlinear imaging/photonic technology today. These have been poorly addressed in many nano-materials despite of their well-established equilibrium optical and transport properties. The development of ultrafast terahertz (THz) sources and nonlinear spectroscopy tools facilitates understanding these issues and reveals a wide range of novel nonlinear and quantum phenomena that are not expected in bulk solids or atoms. In this paper, we discuss our recent discoveries in two model photonic and electronic nanostructures to solve two outstanding questions: (1) how to create nonlinear broadband terahertz emittersmore » using deeply subwavelength nanoscale meta-atom resonators? (2) How to access one-dimensional (1D) dark excitons and their non-equilibrium correlated states in single-walled carbon nanotubes (SWMTs)?« less

Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

NASA Astrophysics Data System (ADS)

Kurta, Ruslan P.; Donatelli, Jeffrey J.; Yoon, Chun Hong; Berntsen, Peter; Bielecki, Johan; Daurer, Benedikt J.; DeMirci, Hasan; Fromme, Petra; Hantke, Max Felix; Maia, Filipe R. N. C.; Munke, Anna; Nettelblad, Carl; Pande, Kanupriya; Reddy, Hemanth K. N.; Sellberg, Jonas A.; Sierra, Raymond G.; Svenda, Martin; van der Schot, Gijs; Vartanyants, Ivan A.; Williams, Garth J.; Xavier, P. Lourdu; Aquila, Andrew; Zwart, Peter H.; Mancuso, Adrian P.

2017-10-01

We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates from the expected perfect icosahedral symmetry. Our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.

Strain superlattices in graphene

NASA Astrophysics Data System (ADS)

Zhang, Yingjie; Kim, Youngseok; Lyding, Joseph; Gilbert, Matthew; Mason, Nadya

Superlattices have been widely explored to tailor the electronic properties of two-dimensional electron systems. Previous approaches to create superlattices have been limited to periodic potential modulations, either in the form of electrostatic gating or moiré heterostructures. Here we present a new strategy to generate superlattices in 2D materials. We deposit these 2D membranes on a periodic array of dielectric nanospheres, and achieve superlattices with periodic strain modulations. We studied the electronic and magneto-transport properties of strained graphene superlattices, and observed salient features of Dirac point cloning and Hofstadter's butterfly. Furthermore, we were able to tune the transport properties by changing the magnitude of strain in the graphene superlattice. This new degree of freedom provides a novel platform both for fundamental studies of 2D electron correlations and for prospective applications in 2D electronic devices. Y.Z. and N.M. acknowledge support from the National Science Foundation under Grant No. ENG-1434147.

Au-induced deep groove nanowire structure on the Ge(001) surface: DFT calculations

NASA Astrophysics Data System (ADS)

Tsay, Shiow-Fon

2016-09-01

The atomic geometry, stability, and electronic properties of self-organized Au induced nanowires on the Ge(001) surface are investigated based on the density-functional theory in GGA and the stoichiometry of Au. A giant Ge zigzag chain structure is suggested for 0.75 ML Au coverage, which displays c(8 × 2) deep groove zigzag nanowire structure simulated STM images. The top layer Ge and Au atomic disorder introduces the chevron units into the zigzag nanowire structure STM image as per the experimental observations. The zigzag Ge nanowire exhibits a semi-metallic characteristic, and the electric transport occurs in between the Ge zigzag nanowire and the subsurface. The system exhibits obvious electronic correlations among the Ge nanowire, the nano-facet Au trimers and the deeper layer Ge atoms, that play an important role in the electronic structure. At surface Brillouin zone boundaries, an anisotropic two-dimensional upward parabolic surface-state band is consistent with the ARPES spectra reported by Nakatsuji et al. [Phys. Rev. B 80, 081406(R) (2009); Phys. Rev. B 84, 115411 (2011)]; this electronic structure is different from the quasi-one-dimensional energy trough reported by Schäfer et al. [Phys. Rev. Lett. 101, 236802 (2008); Phys. Rev. B 83, 121411(R) (2011)].

A Novel Optoelectronic Device Based on Correlated Two-Dimensional Fermions

NASA Astrophysics Data System (ADS)

Dianat, Pouya

Conventional metallic contacts can be replicated by quantum two dimensional charge (of Fermion) systems (2DFS). Unlike metals, the particle concentration of these "unconventional" systems can be accurately controlled in an extensive range and by means of external electronic or optical stimuli. A 2DFS can, hence, transition from a high-density kinetic liquid into a dilute-but highly correlated-gas state, in which inter-particle Coulombic interactions are significant. Such interactions contribute negatively, by so-called exchange-correlation energies, to the overall energetics of the system, and are manifested as a series negative quantum capacitance. This dissertation investigates the capacitive performance of a class of unconventional devices based on a planar metal-semiconductor-metal structure with an embedded 2DFS. They constitute an opto-electronically controlled variable capacitor, with record breaking figures-of-merit in capacitance tuning ranges of up to 7000 and voltage sensitivities as large as 400. Internal eld manipulations by localized depletion of a dense 2DFS account for the enlarged maximum and reduced minimum capacitances. The capacitance-voltage characteristics of these devices incur an anomalous "Batman" shape capacitance enhancement (CE) of up to 200% that may be triggered optically. The CE is attributed to the release and storage of exchange-correlation energies; from the "unconventional" plate and in the dielectric, respectively. This process is enforced by density manipulation of the 2DFS by a hybrid of an external eld and light-generated carriers. Under moderate optical powers, the capacitance becomes 43 times greater than the dark value; thus a new capacitance-based photodetection method is offered. This new capacitance based photodetection method has a range of applications in optoelectronics, particularly in the next generation of photonic integrated systems.

X-ray microscopy as an approach to increasing accuracy and efficiency of serial block-face imaging for correlated light and electron microscopy of biological specimens.

PubMed

Bushong, Eric A; Johnson, Donald D; Kim, Keun-Young; Terada, Masako; Hatori, Megumi; Peltier, Steven T; Panda, Satchidananda; Merkle, Arno; Ellisman, Mark H

2015-02-01

The recently developed three-dimensional electron microscopic (EM) method of serial block-face scanning electron microscopy (SBEM) has rapidly established itself as a powerful imaging approach. Volume EM imaging with this scanning electron microscopy (SEM) method requires intense staining of biological specimens with heavy metals to allow sufficient back-scatter electron signal and also to render specimens sufficiently conductive to control charging artifacts. These more extreme heavy metal staining protocols render specimens light opaque and make it much more difficult to track and identify regions of interest (ROIs) for the SBEM imaging process than for a typical thin section transmission electron microscopy correlative light and electron microscopy study. We present a strategy employing X-ray microscopy (XRM) both for tracking ROIs and for increasing the efficiency of the workflow used for typical projects undertaken with SBEM. XRM was found to reveal an impressive level of detail in tissue heavily stained for SBEM imaging, allowing for the identification of tissue landmarks that can be subsequently used to guide data collection in the SEM. Furthermore, specific labeling of individual cells using diaminobenzidine is detectable in XRM volumes. We demonstrate that tungsten carbide particles or upconverting nanophosphor particles can be used as fiducial markers to further increase the precision and efficiency of SBEM imaging.

X-ray Microscopy as an Approach to Increasing Accuracy and Efficiency of Serial Block-face Imaging for Correlated Light and Electron Microscopy of Biological Specimens

PubMed Central

Bushong, Eric A.; Johnson, Donald D.; Kim, Keun-Young; Terada, Masako; Hatori, Megumi; Peltier, Steven T.; Panda, Satchidananda; Merkle, Arno; Ellisman, Mark H.

2015-01-01

The recently developed three-dimensional electron microscopic (EM) method of serial block-face scanning electron microscopy (SBEM) has rapidly established itself as a powerful imaging approach. Volume EM imaging with this scanning electron microscopy (SEM) method requires intense staining of biological specimens with heavy metals to allow sufficient back-scatter electron signal and also to render specimens sufficiently conductive to control charging artifacts. These more extreme heavy metal staining protocols render specimens light opaque and make it much more difficult to track and identify regions of interest (ROIs) for the SBEM imaging process than for a typical thin section transmission electron microscopy correlative light and electron microscopy study. We present a strategy employing X-ray microscopy (XRM) both for tracking ROIs and for increasing the efficiency of the workflow used for typical projects undertaken with SBEM. XRM was found to reveal an impressive level of detail in tissue heavily stained for SBEM imaging, allowing for the identification of tissue landmarks that can be subsequently used to guide data collection in the SEM. Furthermore, specific labeling of individual cells using diaminobenzidine is detectable in XRM volumes. We demonstrate that tungsten carbide particles or upconverting nanophosphor particles can be used as fiducial markers to further increase the precision and efficiency of SBEM imaging. PMID:25392009

Nonsequential double ionization with mid-infrared laser fields

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

Li, Ying -Bin; Wang, Xu; Yu, Ben -Hai

Using a full-dimensional Monte Carlo classical ensemble method, we present a theoretical study of atomic nonsequential double ionization (NSDI) with mid-infrared laser fields, and compare with results from near-infrared laser fields. Unlike single-electron strong-field processes, double ionization shows complex and unexpected interplays between the returning electron and its parent ion core. As a result of these interplays, NSDI for mid-IR fields is dominated by second-returning electron trajectories, instead of first-returning trajectories for near-IR fields. Here, some complex NSDI channels commonly happen with near-IR fields, such as the recollision-excitation-with-subsequent-ionization (RESI) channel, are virtually shut down by mid-IR fields. Besides, the finalmore » energies of the two electrons can be extremely unequal, leading to novel e-e momentum correlation spectra that can be measured experimentally.« less

Nonsequential double ionization with mid-infrared laser fields

DOE PAGES

Li, Ying -Bin; Wang, Xu; Yu, Ben -Hai; ...

2016-11-18

Using a full-dimensional Monte Carlo classical ensemble method, we present a theoretical study of atomic nonsequential double ionization (NSDI) with mid-infrared laser fields, and compare with results from near-infrared laser fields. Unlike single-electron strong-field processes, double ionization shows complex and unexpected interplays between the returning electron and its parent ion core. As a result of these interplays, NSDI for mid-IR fields is dominated by second-returning electron trajectories, instead of first-returning trajectories for near-IR fields. Here, some complex NSDI channels commonly happen with near-IR fields, such as the recollision-excitation-with-subsequent-ionization (RESI) channel, are virtually shut down by mid-IR fields. Besides, the finalmore » energies of the two electrons can be extremely unequal, leading to novel e-e momentum correlation spectra that can be measured experimentally.« less

Coherent diffraction imaging analysis of shape-controlled nanoparticles with focused hard X-ray free-electron laser pulses.

PubMed

Takahashi, Yukio; Suzuki, Akihiro; Zettsu, Nobuyuki; Oroguchi, Tomotaka; Takayama, Yuki; Sekiguchi, Yuki; Kobayashi, Amane; Yamamoto, Masaki; Nakasako, Masayoshi

2013-01-01

We report the first demonstration of the coherent diffraction imaging analysis of nanoparticles using focused hard X-ray free-electron laser pulses, allowing us to analyze the size distribution of particles as well as the electron density projection of individual particles. We measured 1000 single-shot coherent X-ray diffraction patterns of shape-controlled Ag nanocubes and Au/Ag nanoboxes and estimated the edge length from the speckle size of the coherent diffraction patterns. We then reconstructed the two-dimensional electron density projection with sub-10 nm resolution from selected coherent diffraction patterns. This method enables the simultaneous analysis of the size distribution of synthesized nanoparticles and the structures of particles at nanoscale resolution to address correlations between individual structures of components and the statistical properties in heterogeneous systems such as nanoparticles and cells.

A Method for the Alignment of Heterogeneous Macromolecules from Electron Microscopy

PubMed Central

Shatsky, Maxim; Hall, Richard J.; Brenner, Steven E.; Glaeser, Robert M.

2009-01-01

We propose a feature-based image alignment method for single-particle electron microscopy that is able to accommodate various similarity scoring functions while efficiently sampling the two-dimensional transformational space. We use this image alignment method to evaluate the performance of a scoring function that is based on the Mutual Information (MI) of two images rather than one that is based on the cross-correlation function. We show that alignment using MI for the scoring function has far less model-dependent bias than is found with cross-correlation based alignment. We also demonstrate that MI improves the alignment of some types of heterogeneous data, provided that the signal to noise ratio is relatively high. These results indicate, therefore, that use of MI as the scoring function is well suited for the alignment of class-averages computed from single particle images. Our method is tested on data from three model structures and one real dataset. PMID:19166941

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

PubMed

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

2014-12-19

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

Multiple heteroatom substitution to graphene nanoribbon

PubMed Central

Meyer, Ernst

2018-01-01

Substituting heteroatoms into nanostructured graphene elements, such as graphene nanoribbons, offers the possibility for atomic engineering of electronic properties. To characterize these substitutions, functionalized atomic force microscopy (AFM)—a tool to directly resolve chemical structures—is one of the most promising tools, yet the chemical analysis of heteroatoms has been rarely performed. We synthesized multiple heteroatom-substituted graphene nanoribbons and showed that AFM can directly resolve elemental differences and can be correlated to the van der Waals radii, as well as the modulated local electron density caused by the substitution. This elemental-sensitive measurement takes an important step in the analysis of functionalized two-dimensional carbon materials. PMID:29662955

Efficient estimation of three-dimensional covariance and its application in the analysis of heterogeneous samples in cryo-electron microscopy.

PubMed

Liao, Hstau Y; Hashem, Yaser; Frank, Joachim

2015-06-02

Single-particle cryogenic electron microscopy (cryo-EM) is a powerful tool for the study of macromolecular structures at high resolution. Classification allows multiple structural states to be extracted and reconstructed from the same sample. One classification approach is via the covariance matrix, which captures the correlation between every pair of voxels. Earlier approaches employ computing-intensive resampling and estimate only the eigenvectors of the matrix, which are then used in a separate fast classification step. We propose an iterative scheme to explicitly estimate the covariance matrix in its entirety. In our approach, the flexibility in choosing the solution domain allows us to examine a part of the molecule in greater detail. Three-dimensional covariance maps obtained in this way from experimental data (cryo-EM images of the eukaryotic pre-initiation complex) prove to be in excellent agreement with conclusions derived by using traditional approaches, revealing in addition the interdependencies of ligand bindings and structural changes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Three-dimensional minority-carrier collection channels at shunt locations in silicon solar cells

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

Guthrey, Harvey; Johnston, Steve; Weiss, Dirk N.

2016-10-01

In this contribution, we demonstrate the value of using a multiscale multi-technique characterization approach to study the performance-limiting defects in multi-crystalline silicon (mc-Si) photovoltaic devices. The combination of dark lock-in thermography (DLIT) imaging, electron beam induced current imaging, and both transmission and scanning transmission electron microscopy (TEM/STEM) on the same location revealed the nanoscale origin of the optoelectronic properties of shunts visible at the device scale. Our site-specific correlative approach identified the shunt behavior to be a result of three-dimensional inversion channels around structural defects decorated with oxide precipitates. These inversion channels facilitate enhanced minority-carrier transport that results in themore » increased heating observed through DLIT imaging. The definitive connection between the nanoscale structure and chemistry of the type of shunt investigated here allows photovoltaic device manufacturers to immediately address the oxygen content of their mc-Si absorber material when such features are present, instead of engaging in costly characterization.« less

Two-dimensional electronic spectroscopy signatures of the glass transition

DOE PAGES

Lewis, K. L. .. M.; Myers, J. A.; Fuller, F.; ...

2010-01-01

Two-dimensional electronic spectroscopy is a sensitive probe of solvation dynamics. Using a pump–probe geometry with a pulse shaper [ Optics Express 15 (2007), 16681-16689; Optics Express 16 (2008), 17420-17428], we present temperature dependent 2D spectra of laser dyes dissolved in glass-forming solvents. At low waiting times, the system has not yet relaxed, resulting in a spectrum that is elongated along the diagonal. At longer times, the system loses its memory of the initial excitation frequency, and the 2D spectrum rounds out. As the temperature is lowered, the time scale of this relaxation grows, and the elongation persists for longer waitingmore » times. This can be measured in the ratio of the diagonal width to the anti-diagonal width; the behavior of this ratio is representative of the frequency–frequency correlation function [ Optics Letters 31 (2006), 3354–3356]. Near the glass transition temperature, the relaxation behavior changes. Understanding this change is important for interpreting temperature-dependent dynamics of biological systems.« less

From Kondo lattices to Kondo superlattices

NASA Astrophysics Data System (ADS)

Shimozawa, Masaaki; Goh, Swee K.; Shibauchi, Takasada; Matsuda, Yuji

2016-07-01

The realization of new classes of ground states in strongly correlated electron systems continues to be a major issue in condensed matter physics. Heavy fermion materials, whose electronic structure is essentially three-dimensional, are one of the most suitable systems for obtaining novel electronic states because of their intriguing properties associated with many-body effects. Recently, a state-of-the-art molecular beam epitaxy technique was developed to reduce the dimensionality of heavy electron systems by fabricating artificial superlattices that include heavy fermion compounds; this approach can produce a new type of electronic state in two-dimensional (2D) heavy fermion systems. In artificial superlattices of the antiferromagnetic heavy fermion compound CeIn3 and the conventional metal LaIn3, the magnetic order is suppressed by a reduction in the thickness of the CeIn3 layers. In addition, the 2D confinement of heavy fermions leads to enhancement of the effective electron mass and deviation from the standard Fermi liquid electronic properties, which are both associated with the dimensional tuning of quantum criticality. In the superconducting superlattices of the heavy fermion superconductor CeCoIn5 and nonmagnetic metal YbCoIn5, signatures of superconductivity are observed even at the thickness of one unit-cell layer of CeCoIn5. The most remarkable feature of this 2D heavy fermion superconductor is that the thickness reduction of the CeCoIn5 layers changes the temperature and angular dependencies of the upper critical field significantly. This result is attributed to a substantial suppression of the Pauli pair-breaking effect through the local inversion symmetry breaking at the interfaces of CeCoIn5 block layers. The importance of the inversion symmetry breaking in this system has also been supported by site-selective nuclear magnetic resonance spectroscopy, which can resolve spectroscopic information from each layer separately, even within the same CeCoIn5 block layer. In addition, recent experiments involving CeCoIn5/YbCoIn5 superlattices have shown that the degree of the inversion symmetry breaking and, in turn, the Rashba splitting are controllable, offering the prospect of achieving even more fascinating superconducting states. Thus, these Kondo superlattices pave the way for the exploration of unconventional metallic and superconducting states.

Signatures of correlated excitonic dynamics in two-dimensional spectroscopy of the Fenna-Matthew-Olson photosynthetic complex

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

Caram, Justin R.; Lewis, Nicholas H. C.; Fidler, Andrew F.

2012-03-14

Long-lived excitonic coherence in photosynthetic proteins has become an exciting area of research because it may provide design principles for enhancing the efficiency of energy transfer in a broad range of materials. In this publication, we provide new evidence that long-lived excitonic coherence in the Fenna-Mathew-Olson pigment-protein (FMO) complex is consistent with the assumption of cross correlation in the site basis, indicating that each site shares bath fluctuations. We analyze the structure and character of the beating crosspeak between the two lowest energy excitons in two-dimensional (2D) electronic spectra of the FMO Complex. To isolate this dynamic signature, we usemore » the two-dimensional linear prediction Z-transform as a platform for filtering coherent beating signatures within 2D spectra. By separating signals into components in frequency and decay rate representations, we are able to improve resolution and isolate specific coherences. This strategy permits analysis of the shape, position, character, and phase of these features. Simulations of the crosspeak between excitons 1 and 2 in FMO under different regimes of cross correlation verify that statistically independent site fluctuations do not account for the elongation and persistence of the dynamic crosspeak. To reproduce the experimental results, we invoke near complete correlation in the fluctuations experienced by the sites associated with excitons 1 and 2. This model contradicts ab initio quantum mechanic/molecular mechanics simulations that observe no correlation between the energies of individual sites. This contradiction suggests that a new physical model for long-lived coherence may be necessary. The data presented here details experimental results that must be reproduced for a physical model of quantum coherence in photosynthetic energy transfer.« less

Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole

NASA Astrophysics Data System (ADS)

Li, Shaohong L.; Truhlar, Donald G.

2017-02-01

Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way. The fit is accomplished by the anchor points reactive potential method with two reactive coordinates and 40 nonreactive degrees of freedom, where the anchor-point force fields are obtained with a locally modified version of the QuickFF package. The PESs and couplings are suitable for study of the topography of the trilayer potential energy landscape and for electronically nonadiabatic molecular dynamics simulations of the photodissociation of the S-CH3 bond.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

Viewing Golgi structure and function from a different perspective--insights from electron tomography.

PubMed

Marsh, Brad J; Pavelka, Margit

2013-01-01

Historically, ultrastructural investigations, which have focused on elucidating the biological idiosyncrasies of the Golgi apparatus, have tended towards oversimplified or fallacious hypotheses when postulating how the Golgi apparatus reorganizes itself both structurally and functionally to fulfill the plethora of cellular processes underpinned by this complex organelle. Key questions are still unanswered with regard to how changes in Golgi architecture correlate so reproducibly to changes in its functional priorities under different physiological conditions or experimental perturbations. This fact alone serves to highlight how the technical limitations associated with conventional two-dimensional imaging approaches employed in the past failed to adequately capture the extraordinary complexity of the Golgi's three-dimensional (3D) structure-now a hallmark of this challenging organelle. Consequently, this has hampered progress towards developing a clear understanding of how changes in its structure and function typically occur in parallel. In this chapter, we highlight but a few of the significant new insights regarding variations in the Golgi's structure-function relationships that have been afforded over recent years through advanced electron microscopic techniques for 3D image reconstruction, commonly referred to as electron tomography. Copyright © 2013 Elsevier Inc. All rights reserved.

Three-dimensional cytomorphology in fine needle aspiration biopsy of medullary thyroid carcinoma.

PubMed

Chang, T C; Lai, S M; Wen, C Y; Hsiao, Y L; Huang, S H

2001-01-01

To elucidate three-dimensional (3-D) cytomorphology in fine needle aspiration biopsy (FNAB) of medullary thyroid carcinoma (MTC). ENAB was performed on tumors from five patients with MTC. The aspirate was stained and observed under a light microscope (LM). The aspirate was also fixed, dehydrated, critical point dried, spattered with gold ions and observed with a scanning electron microscope (SEM). For transmission electron microscopy (TEM), the specimen was fixed, dehydrated, embedded in an Epon mixture, cut with an ultramicrotome, mounted on copper grids, electron doubly stained with uranium acetate and lead citrate, and observed with TEM. Findings under SEM were correlated with those under LM and TEM. Under SEM, 3-D cytomorphology of MTC displayed a disorganized cellular arrangement with indistinct cell borders in three cases. The cell surface was uneven and had granular protrusions that corresponded to secretory granules observed under TEM. In one case with multiple endocrine neoplasia type IIB, there were abundant granules on the cell surface. In one case of sporadic MTC with multinucleated tumor giant cells and small cells, granular protrusions also were noted on the cell surface. Granular protrusion was a characteristic finding in FNAB of MTC tinder SEM and might be helpful in the differential diagnosis.

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

Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

DOE PAGES

Kurta, Ruslan P.; Donatelli, Jeffrey J.; Yoon, Chun Hong; ...

2017-10-12

We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates frommore » the expected perfect icosahedral symmetry. Lastly, our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.« less

Three-dimensional charge density wave order in YBa 2Cu 3O 6.67 at high magnetic fields

DOE PAGES

Gerber, S.; Jang, H.; Nojiri, H.; ...

2015-11-20

In this study, charge density wave (CDW) correlations have recently been shown to universally exist in cuprate superconductors. However, their nature at high fields inferred from nuclear magnetic resonance is distinct from that measured by x-ray scattering at zero and low fields. Here we combine a pulsed magnet with an x-ray free electron laser to characterize the CDW in YBa 2Cu 3O 6.67 via x-ray scattering in fields up to 28 Tesla. While the zero-field CDW order, which develops below T ~ 150 K, is essentially two-dimensional, at lower temperature and beyond 15 Tesla, another three-dimensionally ordered CDW emerges. Themore » field-induced CDW onsets around the zero-field superconducting transition temperature, yet the incommensurate in-plane ordering vector is field-independent. This implies that the two forms of CDW and high-temperature superconductivity are intimately linked.« less

In-situ Manipulation and Imaging of Switchable Two-dimensional Electron Gas at Oxide Heterointerfaces

DTIC Science & Technology

2016-11-30

AFRL-AFOSR-JP-TR-2017-0016 In-situ Manipulation and Imaging of Switchable Two-dimensional Electron Gas at Oxide Heterointerfaces CHANG BEOM EOM...Imaging of Switchable Two-dimensional Electron Gas at Oxide Heterointerfaces 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-15-1-4046 5c.  PROGRAM...NOTES 14. ABSTRACT The recent discovery of a two-dimensional electron gas (2DEG) at the interface between insulating perovskite oxides SrTiO3 and LaAlO3

Correlated sequential tunneling through a double barrier for interacting one-dimensional electrons

NASA Astrophysics Data System (ADS)

Thorwart, M.; Egger, R.; Grifoni, M.

2005-07-01

The problem of resonant tunneling through a quantum dot weakly coupled to spinless Tomonaga-Luttinger liquids has been studied. We compute the linear conductance due to sequential tunneling processes upon employing a master equation approach. Besides the previously used lowest-order golden rule rates describing uncorrelated sequential tunneling processes, we systematically include higher-order correlated sequential tunneling (CST) diagrams within the standard Weisskopf-Wigner approximation. We provide estimates for the parameter regions where CST effects can be important. Focusing mainly on the temperature dependence of the peak conductance, we discuss the relation of these findings to previous theoretical and experimental results.

Effect of long-range correlation on the metal-insulator transition in a disordered molecular crystal

NASA Astrophysics Data System (ADS)

Unge, Mikael; Stafström, Sven

2006-12-01

Localization lengths of the electronic states in a disordered two-dimensional system, resembling highly anisotropic molecular crystals such as pentacene, have been calculated numerically using the transfer matrix method. The disorder is based on a model with small random fluctuations of induced molecular dipole moments which give rise to long-range correlated disorder in the on-site energies as well as a coupling between the on-site energies and the intermolecular interactions. Our calculations show that molecular crystals such as pentacene can exhibit states with very long localization lengths with a possibility to reach a truly metallic state.

Quantum states and optical responses of low-dimensional electron hole systems

NASA Astrophysics Data System (ADS)

Ogawa, Tetsuo

2004-09-01

Quantum states and their optical responses of low-dimensional electron-hole systems in photoexcited semiconductors and/or metals are reviewed from a theoretical viewpoint, stressing the electron-hole Coulomb interaction, the excitonic effects, the Fermi-surface effects and the dimensionality. Recent progress of theoretical studies is stressed and important problems to be solved are introduced. We cover not only single-exciton problems but also few-exciton and many-exciton problems, including electron-hole plasma situations. Dimensionality of the Wannier exciton is clarified in terms of its linear and nonlinear responses. We also discuss a biexciton system, exciton bosonization technique, high-density degenerate electron-hole systems, gas-liquid phase separation in an excited state and the Fermi-edge singularity due to a Mahan exciton in a low-dimensional metal.

Hot Electrons Regain Coherence in Semiconducting Nanowires

NASA Astrophysics Data System (ADS)

Reiner, Jonathan; Nayak, Abhay Kumar; Avraham, Nurit; Norris, Andrew; Yan, Binghai; Fulga, Ion Cosma; Kang, Jung-Hyun; Karzig, Toesten; Shtrikman, Hadas; Beidenkopf, Haim

2017-04-01

The higher the energy of a particle is above equilibrium, the faster it relaxes because of the growing phase space of available electronic states it can interact with. In the relaxation process, phase coherence is lost, thus limiting high-energy quantum control and manipulation. In one-dimensional systems, high relaxation rates are expected to destabilize electronic quasiparticles. Here, we show that the decoherence induced by relaxation of hot electrons in one-dimensional semiconducting nanowires evolves nonmonotonically with energy such that above a certain threshold hot electrons regain stability with increasing energy. We directly observe this phenomenon by visualizing, for the first time, the interference patterns of the quasi-one-dimensional electrons using scanning tunneling microscopy. We visualize the phase coherence length of the one-dimensional electrons, as well as their phase coherence time, captured by crystallographic Fabry-Pèrot resonators. A remarkable agreement with a theoretical model reveals that the nonmonotonic behavior is driven by the unique manner in which one-dimensional hot electrons interact with the cold electrons occupying the Fermi sea. This newly discovered relaxation profile suggests a high-energy regime for operating quantum applications that necessitate extended coherence or long thermalization times, and may stabilize electronic quasiparticles in one dimension.

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

Mikheev, Evgeny; Himmetoglu, Burak; Kajdos, Adam P.

We analyze and compare the temperature dependence of the electron mobility of two- and three-dimensional electron liquids in SrTiO{sub 3}. The contributions of electron-electron scattering must be taken into account to accurately describe the mobility in both cases. For uniformly doped, three-dimensional electron liquids, the room temperature mobility crosses over from longitudinal optical (LO) phonon-scattering-limited to electron-electron-scattering-limited as a function of carrier density. In high-density, two-dimensional electron liquids, LO phonon scattering is completely screened and the mobility is dominated by electron-electron scattering up to room temperature. The possible origins of the observed behavior and the consequences for approaches to improvemore » the mobility are discussed.« less

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.

Correlated electron-nuclear dynamics in above-threshold multiphoton ionization of asymmetric molecule.

PubMed

Wang, Zhuo; Li, Min; Zhou, Yueming; Lan, Pengfei; Lu, Peixiang

2017-02-20

The partition of the photon energy into the subsystems of molecules determines many photon-induced chemical and physical dynamics in laser-molecule interactions. The electron-nuclear energy sharing from multiphoton ionization of molecules has been used to uncover the correlated dynamics of the electron and fragments. However, most previous studies focus on symmetric molecules. Here we study the electron-nuclear energy sharing in strong-field photoionization of HeH 2+ by solving the one-dimensional time-dependent Schrödinger equation (TDSE). Compared with symmetric molecules, the joint electron-nuclear energy spectrum (JES) of HeH 2+ reveals an anomalous energy shift at certain nuclear energies, while it disappears at higher and lower nuclear energies. Through tracing the time evolution of the wavepacket of bound states, we identify that this energy shift originates from the joint effect of the Stark shift, associated with the permanent dipole, and the Autler-Townes effect due to the coupling of the 2pσ and 2sσ states in strong fields. The energy shift in the JES appears at certain nuclear distances only when both Stark effect and Autler-Townes effect play important roles. We further demonstrate that the electron-nuclei energy sharing can be controlled by varying laser intensity for asymmetric molecules, providing alternative approaches to manipulate photochemical reactions for more complex molecules.

Two dimensional electron systems for solid state quantum computation

NASA Astrophysics Data System (ADS)

Mondal, Sumit

Two dimensional electron systems based on GaAs/AlGaAs heterostructures are extremely useful in various scientific investigations of recent times including the search for quantum computational schemes. Although significant strides have been made over the past few years to realize solid state qubits on GaAs/AlGaAs 2DEGs, there are numerous factors limiting the progress. We attempt to identify factors that have material and design-specific origin and develop ways to overcome them. The thesis is divided in two broad segments. In the first segment we describe the realization of a new field-effect induced two dimensional electron system on GaAs/AlGaAs heterostructure where the novel device-design is expected to suppress the level of charge noise present in the device. Modulation-doped GaAs/AlGaAs heterostructures are utilized extensively in the study of quantum transport in nanostructures, but charge fluctuations associated with remote ionized dopants often produce deleterious effects. Electric field-induced carrier systems offer an attractive alternative if certain challenges can be overcome. We demonstrate a field-effect transistor in which the active channel is locally devoid of modulation-doping, but silicon dopant atoms are retained in the ohmic contact region to facilitate low-resistance contacts. A high quality two-dimensional electron gas is induced by a field-effect that is tunable over a density range of 6.5x10 10cm-2 to 2.6x1011cm-2 . Device design, fabrication, and low temperature (T=0.3K) characterization results are discussed. The demonstrated device-design overcomes several existing limitations in the fabrication of field-induced 2DEGs and might find utility in hosting nanostructures required for making spin qubits. The second broad segment describes our effort to correlate transport parameters measured at T=0.3K to the strength of the fractional quantum Hall state observed at nu=5/2 in the second Landau level of high-mobility GaAs/AlGaAs two dimensional electron systems. In an ultrapure two dimensional electron system (2DES) subjected to high magnetic field and very low temperatures, a large number of many-body ground states can emerge in a purely quantum phenomenon called the Fractional quantum Hall Effect (FQHE). The fractional state at nu=5/2 has drawn significant interest in recent times because of its predicted non-abelian excitations that can be utilized in constructing topologically protected quantum bits. In spite of having made significant advances in this direction, progress is hindered due to the fragility of this exotic state characterized by a small energy gap which puts very stringent requirements on the sample quality and the temperature scale. It is believed that the nu=5/2 activation gap is masked by disorders present in the sample which causes the experimentally observed gap to appear much smaller than the theoretically predicted intrinsic gap originating from purely electron-electron interactions in the clean-limit. Hence categorization of samples based on the strength of the nu=5/2 state hinges on the efficient quantification of disorder which is not a directly measurable quantity. Historically the zero-field transport mobility has been identified as the measure of disorder present in the sample. However careful comparison of data originating in our measurements with existing literature reveals that mobility is rather a weak indicator of the quality of FQHE in the 2nd Landau level and fails to reliably predict the nu=5/2 activation gap in a sample. In the absence of a single reliable indicator of sample quality in the 2nd Landau level, we propose a resistivity measured at nu=5/2 at T=0.3K as an alternative metric to characterize samples. Preliminary measurements involving a limited number of samples indicate that a resistivity measured at nu=5/2 might be better correlated with the nu=5/2 gap than mobility. Results also call for a more holistic approach in sample characterization by taking into consideration the heterostructure design while predicting sample quality. The possibility of quantum scattering time being an indicator of the strength of the nu=5/2 gap was investigated. The existing method of extracting quantum lifetime from the low-field Shubnikov-de Haas oscillations leads to unreliable extraction of quantum lifetime in high-mobility two dimensional electron samples potentially because an underlying assumption in the method that the amplitude of the density of states oscillations at low magnetic fields is negligible compared to the zero-field density of states might not hold true in case of high-mobility 2DES. A modified method was developed by relaxing the assumption which resulted in meaningful extraction of quantum lifetimes in all the high-mobility samples probed in the study. A correlation between the extracted quantum lifetime and the nu=5/2 activation gap was not discovered within the limited set of samples probed.

Enhancement of superexchange pairing in the periodically driven Hubbard model

NASA Astrophysics Data System (ADS)

Coulthard, J. R.; Clark, S. R.; Al-Assam, S.; Cavalleri, A.; Jaksch, D.

2017-08-01

Recent experiments performed on cuprates and alkali-doped fullerides have demonstrated that key signatures of superconductivity can be induced above the equilibrium critical temperature by optical modulation. These observations in disparate physical systems may indicate a general underlying mechanism. Multiple theories have been proposed, but these either consider specific features, such as competing instabilities, or focus on conventional BCS-type superconductivity. Here we show that periodic driving can enhance electron pairing in strongly correlated systems. Focusing on the strongly repulsive limit of the doped Hubbard model, we investigate in-gap, spatially inhomogeneous, on-site modulations. We demonstrate that such modulations substantially reduce electronic hopping, while simultaneously sustaining superexchange interactions and pair hopping via driving-induced virtual charge excitations. We calculate real-time dynamics for the one-dimensional case, starting from zero- and finite-temperature initial states, and we show that enhanced singlet-pair correlations emerge quickly and robustly in the out-of-equilibrium many-body state. Our results reveal a fundamental pairing mechanism that might underpin optically induced superconductivity in some strongly correlated quantum materials.

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.

Electron-positron momentum density in Tl 2Ba 2CuO 6

NASA Astrophysics Data System (ADS)

Barbiellini, B.; Gauthier, M.; Hoffmann, L.; Jarlborg, T.; Manuel, A. A.; Massidda, S.; Peter, M.; Triscone, G.

1994-08-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor Tl 2Ba 2CuO 6, together with some preliminary two-dimensional angular correlation of the annihilation radiation (2D-ACAR) measurements. The calculations are based on the first-principles electronic structure obtained using the full-potential linearized augmented plane wave (FLAPW) and the linear muffin-tin orbital (LMTO) methods. We also use a linear combination of the atomic orbitals-molecular orbital method (LCAO-MO) to discuss orbital contributions to the anisotropies. Some agreement between calculated and measured 2D-ACAR anisotropies encourage sample improvement for further Fermi surface investigations. Indeed, our results indicate a non-negligle overlap of the positron wave function with the CuOo 2 plane electrons. Therefore, this compound may be well suited for investigating the relevant CuO 2 Fermi surface by 2D-ACAR.

Energy Trapping, Release, and Transport in Three Dimensional Energetic Solids and Molecular Crystals.

DTIC Science & Technology

1986-06-30

excited state and the correlation primitives. These additions had little effect on the tTi ground-state energy. Also included in this table is an...an additional s and p primitive was placed on the C atom and both optimised-with little effect. These were then removed. Finally, the calculation was...the excited vibrational and rotational states of nitromethane have been studied, little work has been done on its low-lying excited electronic states

Two-Dimensional Jeff=1 /2 Antiferromagnetic Insulator Unraveled from Interlayer Exchange Coupling in Artificial Perovskite Iridate Superlattices

NASA Astrophysics Data System (ADS)

Hao, Lin; Meyers, D.; Frederick, Clayton; Fabbris, Gilberto; Yang, Junyi; Traynor, Nathan; Horak, Lukas; Kriegner, Dominik; Choi, Yongseong; Kim, Jong-Woo; Haskel, Daniel; Ryan, Phil J.; Dean, M. P. M.; Liu, Jian

2017-07-01

We report an experimental investigation of the two-dimensional Jeff=1 /2 antiferromagnetic Mott insulator by varying the interlayer exchange coupling in [(SrIrO3)1 , (SrTiO3)m ] (m =1 , 2 and 3) superlattices. Although all samples exhibited an insulating ground state with long-range magnetic order, temperature-dependent resistivity measurements showed a stronger insulating behavior in the m =2 and m =3 samples than the m =1 sample which displayed a clear kink at the magnetic transition. This difference indicates that the blocking effect of the excessive SrTiO3 layer enhances the effective electron-electron correlation and strengthens the Mott phase. The significant reduction of the Néel temperature from 150 K for m =1 to 40 K for m =2 demonstrates that the long-range order stability in the former is boosted by a substantial interlayer exchange coupling. Resonant x-ray magnetic scattering revealed that the interlayer exchange coupling has a switchable sign, depending on the SrTiO3 layer number m , for maintaining canting-induced weak ferromagnetism. The nearly unaltered transition temperature between the m =2 and the m =3 demonstrated that we have realized a two-dimensional antiferromagnet at finite temperatures with diminishing interlayer exchange coupling.

Electronic evidence of an insulator-superconductor crossover in single-layer FeSe/SrTiO3 films.

PubMed

He, Junfeng; Liu, Xu; Zhang, Wenhao; Zhao, Lin; Liu, Defa; He, Shaolong; Mou, Daixiang; Li, Fangsen; Tang, Chenjia; Li, Zhi; Wang, Lili; Peng, Yingying; Liu, Yan; Chen, Chaoyu; Yu, Li; Liu, Guodong; Dong, Xiaoli; Zhang, Jun; Chen, Chuangtian; Xu, Zuyan; Chen, Xi; Ma, Xucun; Xue, Qikun; Zhou, X J

2014-12-30

In high-temperature cuprate superconductors, it is now generally agreed that superconductivity is realized by doping an antiferromagnetic Mott (charge transfer) insulator. The doping-induced insulator-to-superconductor transition has been widely observed in cuprates, which provides important information for understanding the superconductivity mechanism. In the iron-based superconductors, however, the parent compound is mostly antiferromagnetic bad metal, raising a debate on whether an appropriate starting point should go with an itinerant picture or a localized picture. No evidence of doping-induced insulator-superconductor transition (or crossover) has been reported in the iron-based compounds so far. Here, we report an electronic evidence of an insulator-superconductor crossover observed in the single-layer FeSe film grown on a SrTiO3 substrate. By taking angle-resolved photoemission measurements on the electronic structure and energy gap, we have identified a clear evolution of an insulator to a superconductor with increasing carrier concentration. In particular, the insulator-superconductor crossover in FeSe/SrTiO3 film exhibits similar behaviors to that observed in the cuprate superconductors. Our results suggest that the observed insulator-superconductor crossover may be associated with the two-dimensionality that enhances electron localization or correlation. The reduced dimensionality and the interfacial effect provide a new pathway in searching for new phenomena and novel superconductors with a high transition temperature.

Electronic evidence of an insulator–superconductor crossover in single-layer FeSe/SrTiO3 films

PubMed Central

He, Junfeng; Liu, Xu; Zhang, Wenhao; Zhao, Lin; Liu, Defa; He, Shaolong; Mou, Daixiang; Li, Fangsen; Tang, Chenjia; Li, Zhi; Wang, Lili; Peng, Yingying; Liu, Yan; Chen, Chaoyu; Yu, Li; Liu, Guodong; Dong, Xiaoli; Zhang, Jun; Chen, Chuangtian; Xu, Zuyan; Chen, Xi; Ma, Xucun; Xue, Qikun; Zhou, X. J.

2014-01-01

In high-temperature cuprate superconductors, it is now generally agreed that superconductivity is realized by doping an antiferromagnetic Mott (charge transfer) insulator. The doping-induced insulator-to-superconductor transition has been widely observed in cuprates, which provides important information for understanding the superconductivity mechanism. In the iron-based superconductors, however, the parent compound is mostly antiferromagnetic bad metal, raising a debate on whether an appropriate starting point should go with an itinerant picture or a localized picture. No evidence of doping-induced insulator–superconductor transition (or crossover) has been reported in the iron-based compounds so far. Here, we report an electronic evidence of an insulator–superconductor crossover observed in the single-layer FeSe film grown on a SrTiO3 substrate. By taking angle-resolved photoemission measurements on the electronic structure and energy gap, we have identified a clear evolution of an insulator to a superconductor with increasing carrier concentration. In particular, the insulator–superconductor crossover in FeSe/SrTiO3 film exhibits similar behaviors to that observed in the cuprate superconductors. Our results suggest that the observed insulator–superconductor crossover may be associated with the two-dimensionality that enhances electron localization or correlation. The reduced dimensionality and the interfacial effect provide a new pathway in searching for new phenomena and novel superconductors with a high transition temperature. PMID:25502774

Statistical properties of the radiation from SASE FEL operating in the linear regime

NASA Astrophysics Data System (ADS)

Saldin, E. L.; Schneidmiller, E. A.; Yurkov, M. V.

1998-02-01

The paper presents comprehensive analysis of statistical properties of the radiation from self amplified spontaneous emission (SASE) free electron laser operating in linear mode. The investigation has been performed in a one-dimensional approximation, assuming the electron pulse length to be much larger than a coherence length of the radiation. The following statistical properties of the SASE FEL radiation have been studied: field correlations, distribution of the radiation energy after monochromator installed at the FEL amplifier exit and photoelectric counting statistics of SASE FEL radiation. It is shown that the radiation from SASE FEL operating in linear regime possesses all the features corresponding to completely chaotic polarized radiation.

Ultra-fast framing camera tube

DOEpatents

Kalibjian, Ralph

1981-01-01

An electronic framing camera tube features focal plane image dissection and synchronized restoration of the dissected electron line images to form two-dimensional framed images. Ultra-fast framing is performed by first streaking a two-dimensional electron image across a narrow slit, thereby dissecting the two-dimensional electron image into sequential electron line images. The dissected electron line images are then restored into a framed image by a restorer deflector operated synchronously with the dissector deflector. The number of framed images on the tube's viewing screen is equal to the number of dissecting slits in the tube. The distinguishing features of this ultra-fast framing camera tube are the focal plane dissecting slits, and the synchronously-operated restorer deflector which restores the dissected electron line images into a two-dimensional framed image. The framing camera tube can produce image frames having high spatial resolution of optical events in the sub-100 picosecond range.

Exchange and correlation effects on plasmon dispersions and Coulomb drag in low-density electron bilayers

NASA Astrophysics Data System (ADS)

Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

2007-03-01

We investigate the effect of exchange and correlation (XC) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a different approach, which employs dynamic XC kernels in the calculation of the bilayer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. The spectrum of bilayer plasmons and the drag resistivity are calculated in a broad range of temperatures taking into account both intra- and interlayer correlation effects. We observe that both plasmon modes are strongly affected by XC corrections. After the inclusion of the complex dynamic XC kernels, a decrease of the electron density induces shifts of the plasmon branches in opposite directions. This is in stark contrast with the tendency observed within random phase approximation that both optical and acoustical plasmons move away from the boundary of the particle-hole continuum with a decrease in the electron density. We find that the introduction of XC corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the random phase approximation is found to disappear when the XC corrections are included. Our numerical results at low temperatures are in good agreement with the results of recent experiments by Kellogg [Solid State Commun. 123, 515 (2002)].

Spatially inhomogeneous electron state deep in the extreme quantum limit of strontium titanate

DOE PAGES

Bhattacharya, Anand; Skinner, Brian; Khalsa, Guru; ...

2016-09-29

When an electronic system is subjected to a sufficiently strong magnetic field that the cyclotron energy is much larger than the Fermi energy, the system enters the extreme quantum limit (EQL) and becomes susceptible to a number of instabilities. Bringing a three-dimensional electronic system deeply into the EQL can be difficult however, since it requires a small Fermi energy, large magnetic field, and low disorder. Here we present an experimental study of the EQL in lightly-doped single crystals of strontium titanate. Our experiments probe deeply into the regime where theory has long predicted an interaction-driven charge density wave or Wignermore » crystal state. A number of interesting features arise in the transport in this regime, including a striking re-entrant nonlinearity in the current-voltage characteristics. As a result, we discuss these features in the context of possible correlated electron states, and present an alternative picture based on magnetic-field induced puddling of electrons.« less

Thermal Investigation of Three-Dimensional GaN-on-SiC High Electron Mobility Transistors

DTIC Science & Technology

2017-07-01

AFRL-RY-WP-TR-2017-0143 THERMAL INVESTIGATION OF THREE- DIMENSIONAL GaN-on-SiC HIGH ELECTRON MOBILITY TRANSISTORS Qing Hao The University of Arizona...To) July 2017 Final 08 April 2015 – 10 April 2017 4. TITLE AND SUBTITLE THERMAL INVESTIGATION OF THREE-DIMENSIONAL GaN-on-SiC HIGH ELECTRON MOBILITY...used in many DoD applications, including integrated radio frequency (RF) amplifiers and power electronics . However, inherent inefficiencies in

Electron-electron interaction and spin-orbit coupling in InAs/AlSb heterostructures with a two-dimensional electron gas

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

Gavrilenko, V. I.; Krishtopenko, S. S., E-mail: ds_a-teens@mail.ru; Goiran, M.

2011-01-15

The effect of electron-electron interaction on the spectrum of two-dimensional electron states in InAs/AlSb (001) heterostructures with a GaSb cap layer with one filled size-quantization subband. The energy spectrum of two-dimensional electrons is calculated in the Hartree and Hartree-Fock approximations. It is shown that the exchange interaction decreasing the electron energy in subbands increases the energy gap between subbands and the spin-orbit splitting of the spectrum in the entire region of electron concentrations, at which only the lower size-quantization band is filled. The nonlinear dependence of the Rashba splitting constant at the Fermi wave vector on the concentration of two-dimensionalmore » electrons is demonstrated.« less

Many-body effects in electron liquids with Rashba spin-orbit coupling

NASA Astrophysics Data System (ADS)

Simion, George E.

The main topic of the present thesis is represented by the many-body effects which characterize the physical behavior of an electron liquid in various realizations. We begin by studying the problem of the response of an otherwise homogeneous electron liquid to the potential of an impurity embedded in its bulk. The most dramatic consequence of this perturbation is the existence of so called Friedel density oscillations. We present calculations of their amplitude valid in two as well as in three dimensions. The second problem we will discuss is that of the correlation effects in a three dimensional electron liquid in the metallic density regime. A number of quasiparticle properties are evaluated: the electron self-energy, the quasiparticle effective mass and the renormalization constant. We also present an analysis of the effective Lande g-factor as well as the compressibility. The effects of the Coulomb interactions beyond the random phase approximation have been treated by means of an approach based on the many-body local field factors theory and by utilizing the latest numerical results of Quantum Monte Carlo numerical simulations. The final chapter includes the results of our extensive work on various aspects regarding the two dimensional Fermi liquid in the presence of linear Rashba spin-orbit coupling. By using a number of many-body techniques, we have studied the interplay between spin-orbit coupling and electron-electron interaction. After proving an extension to the famous Overhauser Hartree-Fock instability theorem, a considerable amount of work will be presented on the problem of the density and spin response functions. For the study of the spin response, we will present the results of extensive numerical calculations based on the time dependent mean field theory approach.

Electronic band structure of 4d and 5d transition metal trichalcogenides

NASA Astrophysics Data System (ADS)

Sugita, Yusuke; Miyake, Takashi; Motome, Yukitoshi

2018-05-01

Transition metal trichalcogenides (TMTs), a family of van der Waals materials, have gained increasing interests from the discovery of magnetism in few-layer forms. Although TMTs with 3d transition metal elements have been studied extensively, much less is explored for the 4d and 5d cases, where the interesting interplay between electron correlations and the relativistic spin-orbit coupling is expected. Using ab initio calculations, we here investigate the electronic property of TMTs with 4d and 5d transition metal elements. We show that the band structures exhibit multiple node-like features near the Fermi level. These are the remnant of multiple Dirac cones that were recently discovered in the monolayer cases. Our results indicate that the peculiar two-dimensional multiple Dirac cones are concealed even in the layered bulk systems.

Magnetotransport studies of mobility limiting mechanisms in undoped Si/SiGe heterostructures

NASA Astrophysics Data System (ADS)

Mi, X.; Hazard, T. M.; Payette, C.; Wang, K.; Zajac, D. M.; Cady, J. V.; Petta, J. R.

2015-07-01

We perform detailed magnetotransport studies on two-dimensional electron gases (2DEGs) formed in undoped Si/SiGe heterostructures in order to identify the electron mobility limiting mechanisms. By analyzing data from 26 different heterostructures, we observe a strong correlation between the background oxygen concentration in the Si quantum well and the maximum mobility. The highest-quality wafer supports a 2DEG with mobility μ =160 000 cm 2/Vs at a density n =2.17 ×1011 /cm 2 and exhibits a metal-to-insulator transition at a critical density nc=0.46 ×1011 /cm 2. We extract a valley splitting Δv˜150 μ eV at a magnetic field B =1.8 T. These results provide evidence that undoped Si/SiGe heterostructures are suitable for the fabrication of few-electron quantum dots.

Competing charge density wave and antiferromagnetism of metallic atom wires in GaN(10 1 ¯ ) and ZnO(10 1 ¯ )

NASA Astrophysics Data System (ADS)

Kang, Yoon-Gu; Kim, Sun-Woo; Cho, Jun-Hyung

2017-12-01

Low-dimensional electron systems often show a delicate interplay between electron-phonon and electron-electron interactions, giving rise to interesting quantum phases such as the charge density wave (CDW) and magnetism. Using the density-functional theory (DFT) calculations with the semilocal and hybrid exchange-correlation functionals as well as the exact-exchange plus correlation in the random-phase approximation (EX + cRPA), we systematically investigate the ground state of the metallic atom wires containing dangling-bond (DB) electrons, fabricated by partially hydrogenating the GaN(10 1 ¯0 ) and ZnO(10 1 ¯0 ) surfaces. We find that the CDW or antiferromagnetic (AFM) order has an electronic energy gain due to a band-gap opening, thereby being more stabilized compared to the metallic state. Our semilocal DFT calculation predicts that both DB wires in GaN(10 1 ¯0 ) and ZnO(10 1 ¯0 ) have the same CDW ground state, whereas the hybrid DFT and EX + cRPA calculations predict the AFM ground state for the former DB wire and the CDW ground state for the latter one. It is revealed that more localized Ga DB electrons in GaN(10 1 ¯0 ) prefer the AFM order, while less localized Zn DB electrons in ZnO(10 1 ¯0 ) the CDW formation. Our findings demonstrate that the drastically different ground states are competing in the DB wires created on the two representative compound semiconductor surfaces.

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

den Hartog, S.; Kapteyn, C.; van Wees, B.

We have investigated transport in a cross-shaped two-dimensional electron gas with superconducting electrodes coupled to two opposite arms. Multiterminal resistances, measured as a function of the superconducting phase difference and the magnetic flux, are analyzed in terms of an extended Landauer-B{umlt u}ttiker transport formalism. We show that extended reciprocity relations hold. Correlations between transport coefficients are obtained from, e.g., (negative) three-terminal and nonlocal resistances. Energy spectroscopy reveals a reentrant behavior of the transport coefficients around the Thouless energy. {copyright} {ital 1996 The American Physical Society.}

Determination of glucose concentrations using photonic crystal LEDs

NASA Astrophysics Data System (ADS)

Liao, Yu-Yang; Chen, Yung-Tsan; Chang, Cheng-Yu; Lan, Wen-Yi; Huang, Jian-Jang

2016-09-01

As internet of things (IOT) has become a popular topic in current consumer electronics, there is a demand for cost-effective sensors to monitor bio-signals. Traditional optical sensors employ low-dimensional gratings and high-resolution spectrometers to detect the refractive index changes of the solutions. In this work, we develop an alternative approach to correlate the concentration of molecules to the band diagrams of the photonic crystals. A relatively low-resolution spectrum analyzer can be employed, yet achieves higher sensitivity than traditional approaches.

Fundamental Studies on Confinement Effects in Ionic Conduction and Inversion Layers in 2-D Single Crystal Free Standing Oxide Membranes

DTIC Science & Technology

2014-02-14

properties of VO2 films and membranes and compare the results with annealing VO2 films and membranes in hydrogen to provide insight into the doping...2-dimensional free standing membrane with correlated oxides may also lead to new insights into mesoscopic electronic phenomena. Vanadium oxide ( VO2 ...well as for potential applications in switching devices. While studies have been conducted on thin films, hybrid layers of VO2 supported on other

Structural Basis for Near Unity Quantum Yield Core/Shell Nanostructures

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

McBride, James; Treadway, Joe; Pennycook, Stephen J

2006-01-01

Aberration-corrected Z-contrast scanning transmission electron microscopy of core/shell nanocrystals shows clear correlations between structure and quantum efficiency. Uniform shell coverage is obtained only for a graded CdS/ZnS shell material and is found to be critical to achieving near 100% quantum yield. The sublattice sensitivity of the images confirms that preferential growth takes place on the anion-terminated surfaces. This explains the three-dimensional "nanobullet" shape observed in the case of core/shell nanorods.

New Insights into Mutable Collagenous Tissue: Correlations between the Microstructure and Mechanical State of a Sea-Urchin Ligament

PubMed Central

Ribeiro, Ana R.; Barbaglio, Alice; Benedetto, Cristiano D.; Ribeiro, Cristina C.; Wilkie, Iain C.; Carnevali, Maria D. C.; Barbosa, Mário A.

2011-01-01

The mutable collagenous tissue (MCT) of echinoderms has the ability to undergo rapid and reversible changes in passive mechanical properties that are initiated and modulated by the nervous system. Since the mechanism of MCT mutability is poorly understood, the aim of this work was to provide a detailed morphological analysis of a typical mutable collagenous structure in its different mechanical states. The model studied was the compass depressor ligament (CDL) of a sea urchin (Paracentrotus lividus), which was characterized in different functional states mimicking MCT mutability. Transmission electron microscopy, histochemistry, cryo-scanning electron microscopy, focused ion beam/scanning electron microscopy, and field emission gun-environmental scanning electron microscopy were used to visualize CDLs at the micro- and nano-scales. This investigation has revealed previously unreported differences in both extracellular and cellular constituents, expanding the current knowledge of the relationship between the organization of the CDL and its mechanical state. Scanning electron microscopies in particular provided a three-dimensional overview of CDL architecture at the micro- and nano-scales, and clarified the micro-organization of the ECM components that are involved in mutability. Further evidence that the juxtaligamental cells are the effectors of these changes in mechanical properties was provided by a correlation between their cytology and the tensile state of the CDLs. PMID:21935473

Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom.

PubMed

Bischoff, Florian A; Harrison, Robert J; Valeev, Edward F

2012-09-14

We present an approach to compute accurate correlation energies for atoms and molecules using an adaptive discontinuous spectral-element multiresolution representation for the two-electron wave function. Because of the exponential storage complexity of the spectral-element representation with the number of dimensions, a brute-force computation of two-electron (six-dimensional) wave functions with high precision was not practical. To overcome the key storage bottlenecks we utilized (1) a low-rank tensor approximation (specifically, the singular value decomposition) to compress the wave function, and (2) explicitly correlated R12-type terms in the wave function to regularize the Coulomb electron-electron singularities of the Hamiltonian. All operations necessary to solve the Schrödinger equation were expressed so that the reconstruction of the full-rank form of the wave function is never necessary. Numerical performance of the method was highlighted by computing the first-order Møller-Plesset wave function of a helium atom. The computed second-order Møller-Plesset energy is precise to ~2 microhartrees, which is at the precision limit of the existing general atomic-orbital-based approaches. Our approach does not assume special geometric symmetries, hence application to molecules is straightforward.

Electron tunneling in nanoscale electrodes for battery applications

NASA Astrophysics Data System (ADS)

Yamada, Hidenori; Narayanan, Rajaram; Bandaru, Prabhakar R.

2018-03-01

It is shown that the electrical current that may be obtained from a nanoscale electrochemical system is sensitive to the dimensionality of the electrode and the density of states (DOS). Considering the DOS of lower dimensional systems, such as two-dimensional graphene, one-dimensional nanotubes, or zero-dimensional quantum dots, yields a distinct variation of the current-voltage characteristics. Such aspects go beyond conventional Arrhenius theory based kinetics which are often used in experimental interpretation. The obtained insights may be adapted to other devices, such as solid-state batteries. It is also indicated that electron transport in such devices may be considered through electron tunneling.

Time resolved interferometric study of the plasma plume induced shock wave in confined geometry: Two-dimensional mapping of the ambient and plasma density

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

Choudhury, Kaushik; Singh, R. K.; Kumar, Ajai, E-mail: ajai@ipr.res.in

2016-04-15

An experimental investigation of the laser produced plasma induced shock wave in the presence of confining walls placed along the axial as well as the lateral direction has been performed. A time resolved Mach Zehnder interferometer is set up to track the primary as well as the reflected shock waves and its effect on the evolving plasma plume has been studied. An attempt has been made to discriminate the electronic and medium density contributions towards the changes in the refractive index of the medium. Two dimensional spatial distributions for both ambient medium density and plasma density (electron density) have beenmore » obtained by employing customised inversion technique and algorithm on the recorded interferograms. The observed density pattern of the surrounding medium in the presence of confining walls is correlated with the reflected shock wave propagation in the medium. Further, the shock wave plasma interaction and the subsequent changes in the shape and density of the plasma plume in confined geometry are briefly described.« less

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.

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

Lyakh, Dmitry I.

An efficient parallel tensor transpose algorithm is suggested for shared-memory computing units, namely, multicore CPU, Intel Xeon Phi, and NVidia GPU. The algorithm operates on dense tensors (multidimensional arrays) and is based on the optimization of cache utilization on x86 CPU and the use of shared memory on NVidia GPU. From the applied side, the ultimate goal is to minimize the overhead encountered in the transformation of tensor contractions into matrix multiplications in computer implementations of advanced methods of quantum many-body theory (e.g., in electronic structure theory and nuclear physics). A particular accent is made on higher-dimensional tensors that typicallymore » appear in the so-called multireference correlated methods of electronic structure theory. Depending on tensor dimensionality, the presented optimized algorithms can achieve an order of magnitude speedup on x86 CPUs and 2-3 times speedup on NVidia Tesla K20X GPU with respect to the na ve scattering algorithm (no memory access optimization). Furthermore, the tensor transpose routines developed in this work have been incorporated into a general-purpose tensor algebra library (TAL-SH).« less

Coherent photoluminescence excitation spectroscopy of semicrystalline polymeric semiconductors

NASA Astrophysics Data System (ADS)

Silva, Carlos; Grégoire, Pascal; Thouin, Félix

In polymeric semiconductors, the competition between through-bond (intrachain) and through-space (interchain) electronic coupling determines two-dimensional spatial coherence of excitons. The balance of intra- and interchain excitonic coupling depends very sensitively on solid-state microstructure of the polymer film (polycrystalline, semicrystalline with amorphous domains, etc.). Regioregular poly(3-hexylthiophene) has emerged as a model material because its photoluminescence (PL) spectral lineshape reveals intricate information on the magnitude of excitonic coupling, the extent of energetic disorder, and on the extent to which the disordered energy landscape is correlated. I discuss implementation of coherent two-dimensional electronic spectroscopy. We identify cross peaks between 0-0 and 0-1 excitation peaks, and we measure their time evolution, which we interpret within the context of a hybrid HJ aggregate model. By measurement of the homogeneous linewidth in diverse polymer microstructures, we address the nature of optical transitions within such hynbrid aggregate model. These depend strongly on sample processing, and I discuss the relationship between microstructure, steady-state absorption and PL spectral lineshape, and 2D coherent PL excitation spectral lineshapes.

Semi-automated Neuron Boundary Detection and Nonbranching Process Segmentation in Electron Microscopy Images

PubMed Central

Jurrus, Elizabeth; Watanabe, Shigeki; Giuly, Richard J.; Paiva, Antonio R. C.; Ellisman, Mark H.; Jorgensen, Erik M.; Tasdizen, Tolga

2013-01-01

Neuroscientists are developing new imaging techniques and generating large volumes of data in an effort to understand the complex structure of the nervous system. The complexity and size of this data makes human interpretation a labor-intensive task. To aid in the analysis, new segmentation techniques for identifying neurons in these feature rich datasets are required. This paper presents a method for neuron boundary detection and nonbranching process segmentation in electron microscopy images and visualizing them in three dimensions. It combines both automated segmentation techniques with a graphical user interface for correction of mistakes in the automated process. The automated process first uses machine learning and image processing techniques to identify neuron membranes that deliniate the cells in each two-dimensional section. To segment nonbranching processes, the cell regions in each two-dimensional section are connected in 3D using correlation of regions between sections. The combination of this method with a graphical user interface specially designed for this purpose, enables users to quickly segment cellular processes in large volumes. PMID:22644867

Smoothing of Transport Plans with Fixed Marginals and Rigorous Semiclassical Limit of the Hohenberg-Kohn Functional

NASA Astrophysics Data System (ADS)

Cotar, Codina; Friesecke, Gero; Klüppelberg, Claudia

2018-06-01

We prove rigorously that the exact N-electron Hohenberg-Kohn density functional converges in the strongly interacting limit to the strictly correlated electrons (SCE) functional, and that the absolute value squared of the associated constrained search wavefunction tends weakly in the sense of probability measures to a minimizer of the multi-marginal optimal transport problem with Coulomb cost associated to the SCE functional. This extends our previous work for N = 2 ( Cotar etal. in Commun Pure Appl Math 66:548-599, 2013). The correct limit problem has been derived in the physics literature by Seidl (Phys Rev A 60 4387-4395, 1999) and Seidl, Gorigiorgi and Savin (Phys Rev A 75:042511 1-12, 2007); in these papers the lack of a rigorous proofwas pointed out.We also give amathematical counterexample to this type of result, by replacing the constraint of given one-body density—an infinite dimensional quadratic expression in the wavefunction—by an infinite-dimensional quadratic expression in the wavefunction and its gradient. Connections with the Lawrentiev phenomenon in the calculus of variations are indicated.

Semi-Automated Neuron Boundary Detection and Nonbranching Process Segmentation in Electron Microscopy Images

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

Jurrus, Elizabeth R.; Watanabe, Shigeki; Giuly, Richard J.

2013-01-01

Neuroscientists are developing new imaging techniques and generating large volumes of data in an effort to understand the complex structure of the nervous system. The complexity and size of this data makes human interpretation a labor-intensive task. To aid in the analysis, new segmentation techniques for identifying neurons in these feature rich datasets are required. This paper presents a method for neuron boundary detection and nonbranching process segmentation in electron microscopy images and visualizing them in three dimensions. It combines both automated segmentation techniques with a graphical user interface for correction of mistakes in the automated process. The automated processmore » first uses machine learning and image processing techniques to identify neuron membranes that deliniate the cells in each two-dimensional section. To segment nonbranching processes, the cell regions in each two-dimensional section are connected in 3D using correlation of regions between sections. The combination of this method with a graphical user interface specially designed for this purpose, enables users to quickly segment cellular processes in large volumes.« less

An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU

NASA Astrophysics Data System (ADS)

Lyakh, Dmitry I.

2015-04-01

An efficient parallel tensor transpose algorithm is suggested for shared-memory computing units, namely, multicore CPU, Intel Xeon Phi, and NVidia GPU. The algorithm operates on dense tensors (multidimensional arrays) and is based on the optimization of cache utilization on x86 CPU and the use of shared memory on NVidia GPU. From the applied side, the ultimate goal is to minimize the overhead encountered in the transformation of tensor contractions into matrix multiplications in computer implementations of advanced methods of quantum many-body theory (e.g., in electronic structure theory and nuclear physics). A particular accent is made on higher-dimensional tensors that typically appear in the so-called multireference correlated methods of electronic structure theory. Depending on tensor dimensionality, the presented optimized algorithms can achieve an order of magnitude speedup on x86 CPUs and 2-3 times speedup on NVidia Tesla K20X GPU with respect to the naïve scattering algorithm (no memory access optimization). The tensor transpose routines developed in this work have been incorporated into a general-purpose tensor algebra library (TAL-SH).

Magnetic field induced strong valley polarization in the three-dimensional topological semimetal LaBi

NASA Astrophysics Data System (ADS)

Kumar, Nitesh; Shekhar, Chandra; Klotz, J.; Wosnitza, J.; Felser, Claudia

2017-10-01

LaBi is a three-dimensional rocksalt-type material with a surprisingly quasi-two-dimensional electronic structure. It exhibits excellent electronic properties such as the existence of nontrivial Dirac cones, extremely large magnetoresistance, and high charge-carrier mobility. The cigar-shaped electron valleys make the charge transport highly anisotropic when the magnetic field is varied from one crystallographic axis to another. We show that the electrons can be polarized effectively in these electron valleys under a rotating magnetic field. We achieved a polarization of 60% at 2 K despite the coexistence of three-dimensional hole pockets. The valley polarization in LaBi is compared to the sister compound LaSb where it is found to be smaller. The performance of LaBi is comparable to the highly efficient bismuth.

Synaptic Changes in the Dentate Gyrus of APP/PS1 Transgenic Mice Revealed by Electron Microscopy

PubMed Central

Merino-Serrais, Paula; Gonzalez, Santiago; DeFelipe, Javier

2013-01-01

Abstract Numerous studies have reported widespread synaptic dysfunction or loss in early stages of both Alzheimer disease (AD) patients and animal models; it is widely accepted that synapse loss is the major structural correlate of cognitive dysfunction. Elucidation of the changes that may affect synapses is crucial for understanding the pathogenic mechanisms underlying AD, but ultrastructural preservation of human postmortem brain tissue is often poor, and classical methods for quantification of synapses have significant technical limitations. We previously observed changes in dendritic spines in plaque-free regions of the neuropil of the dentate gyrus of double-transgenic APP/PS1 (amyloid precursor protein/presenilin 1) model mice by light microscopy. Here, we used electron microscopy to examine possible synaptic alterations in this region. We used standard stereologic techniques to determine numbers of synapses per volume. We were able to reconstruct and analyze thousands of synapses and their 3-dimensional characteristics using a focused ion beam/scanning electron microscope and 3-dimensional reconstruction software (EspINA), which performs semiautomated segmentation of synapses. Our results show that both numbers of synapses per volume and synaptic morphology are affected in plaque-free regions of APP/PS1 mice. Therefore, changes in the number and morphology of synapses seem to be widespread alterations in this animal model. PMID:23584198

Monte Carlo explicitly correlated second-order many-body perturbation theory

NASA Astrophysics Data System (ADS)

Johnson, Cole M.; Doran, Alexander E.; Zhang, Jinmei; Valeev, Edward F.; Hirata, So

2016-10-01

A stochastic algorithm is proposed and implemented that computes a basis-set-incompleteness (F12) correction to an ab initio second-order many-body perturbation energy as a short sum of 6- to 15-dimensional integrals of Gaussian-type orbitals, an explicit function of the electron-electron distance (geminal), and its associated excitation amplitudes held fixed at the values suggested by Ten-no. The integrals are directly evaluated (without a resolution-of-the-identity approximation or an auxiliary basis set) by the Metropolis Monte Carlo method. Applications of this method to 17 molecular correlation energies and 12 gas-phase reaction energies reveal that both the nonvariational and variational formulas for the correction give reliable correlation energies (98% or higher) and reaction energies (within 2 kJ mol-1 with a smaller statistical uncertainty) near the complete-basis-set limits by using just the aug-cc-pVDZ basis set. The nonvariational formula is found to be 2-10 times less expensive to evaluate than the variational one, though the latter yields energies that are bounded from below and is, therefore, slightly but systematically more accurate for energy differences. Being capable of using virtually any geminal form, the method confirms the best overall performance of the Slater-type geminal among 6 forms satisfying the same cusp conditions. Not having to precompute lower-dimensional integrals analytically, to store them on disk, or to transform them in a nonscalable dense-matrix-multiplication algorithm, the method scales favorably with both system size and computer size; the cost increases only as O(n4) with the number of orbitals (n), and its parallel efficiency reaches 99.9% of the ideal case on going from 16 to 4096 computer processors.

Three dimensional radiation fields in free electron lasers using Lienard-Wiechert fields

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

Elias, L.R.; Gallardo, J.

1981-10-28

In a free electron laser a relativistic electron beam is bunched under the action of the ponderomotive potential and is forced to radiate in close phase with the input wave. Until recently, most theories of the FEL have dealt solely with electron beams of infinite transverse dimension radiating only one-dimensional E.M. waves (plane waves). Although these theories describe accurately the dynamics of the electrons during the FEL interaction process, neither the three dimensional nature of the radiated fields nor its non-monochromatic features can be properly studied by them. As a result of this, very important practical issues such as themore » gain per gaussian-spherical optical mode in a free electron laser have not been well addressed, except through a one dimensional field model in which a filling factor describes crudely the coupling of the FEL induced field to the input field.« less

Hydrogen Epoch of Reinozation Array (HERA) Calibrated FFT Correlator Simulation

NASA Astrophysics Data System (ADS)

Salazar, Jeffrey David; Parsons, Aaron

2018-01-01

The Hydrogen Epoch of Reionization Array (HERA) project is an astronomical radio interferometer array with a redundant baseline configuration. Interferometer arrays are being used widely in radio astronomy because they have a variety of advantages over single antenna systems. For example, they produce images (visibilities) closely matching that of a large antenna (such as the Arecibo observatory), while both the hardware and maintenance costs are significantly lower. However, this method has some complications; one being the computational cost of correlating data from all of the antennas. A correlator is an electronic device that cross-correlates the data between the individual antennas; these are what radio astronomers call visibilities. HERA, being in its early stages, utilizes a traditional correlator system. The correlator cost scales as N2, where N is the number of antennas in the array. The purpose of a redundant baseline configuration array setup is for the use of a more efficient Fast Fourier Transform (FFT) correlator. FFT correlators scale as Nlog2N. The data acquired from this sort of setup, however, inherits geometric delay and uncalibrated antenna gains. This particular project simulates the process of calibrating signals from astronomical sources. Each signal “received” by an antenna in the simulation is given random antenna gain and geometric delay. The “linsolve” Python module was used to solve for the unknown variables in the simulation (complex gains and delays), which then gave a value for the true visibilities. This first version of the simulation only mimics a one dimensional redundant telescope array detecting a small amount of sources located in the volume above the antenna plane. Future versions, using GPUs, will handle a two dimensional redundant array of telescopes detecting a large amount of sources in the volume above the array.

Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic-Resolution Electron Microscopy and Field Evaporation Simulation.

PubMed

Devaraj, Arun; Colby, Robert; Vurpillot, François; Thevuthasan, Suntharampillai

2014-04-17

Oxide-supported metal nanoparticles are widely used in heterogeneous catalysis. The increasingly detailed design of such catalysts necessitates three-dimensional characterization with high spatial resolution and elemental selectivity. Laser-assisted atom probe tomography (APT) is uniquely suited to the task but faces challenges with the evaporation of metal/insulator systems. Correlation of APT with aberration-corrected scanning transmission electron microscopy (STEM), for Au nanoparticles embedded in MgO, reveals preferential evaporation of the MgO and an inaccurate assessment of nanoparticle composition. Finite element field evaporation modeling is used to illustrate the evolution of the evaporation front. Nanoparticle composition is most accurately predicted when the MgO is treated as having a locally variable evaporation field, indicating the importance of considering laser-oxide interactions and the evaporation of various molecular oxide ions. These results demonstrate the viability of APT for analysis of oxide-supported metal nanoparticles, highlighting the need for developing a theoretical framework for the evaporation of heterogeneous materials.

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

NASA Astrophysics Data System (ADS)

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

2011-12-01

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

Quantum imaging with incoherently scattered light from a free-electron laser

NASA Astrophysics Data System (ADS)

Schneider, Raimund; Mehringer, Thomas; Mercurio, Giuseppe; Wenthaus, Lukas; Classen, Anton; Brenner, Günter; Gorobtsov, Oleg; Benz, Adrian; Bhatti, Daniel; Bocklage, Lars; Fischer, Birgit; Lazarev, Sergey; Obukhov, Yuri; Schlage, Kai; Skopintsev, Petr; Wagner, Jochen; Waldmann, Felix; Willing, Svenja; Zaluzhnyy, Ivan; Wurth, Wilfried; Vartanyants, Ivan A.; Röhlsberger, Ralf; von Zanthier, Joachim

2018-02-01

The advent of accelerator-driven free-electron lasers (FEL) has opened new avenues for high-resolution structure determination via diffraction methods that go far beyond conventional X-ray crystallography methods. These techniques rely on coherent scattering processes that require the maintenance of first-order coherence of the radiation field throughout the imaging procedure. Here we show that higher-order degrees of coherence, displayed in the intensity correlations of incoherently scattered X-rays from an FEL, can be used to image two-dimensional objects with a spatial resolution close to or even below the Abbe limit. This constitutes a new approach towards structure determination based on incoherent processes, including fluorescence emission or wavefront distortions, generally considered detrimental for imaging applications. Our method is an extension of the landmark intensity correlation measurements of Hanbury Brown and Twiss to higher than second order, paving the way towards determination of structure and dynamics of matter in regimes where coherent imaging methods have intrinsic limitations.

Critical thickness for the two-dimensional electron gas in LaTiO3/SrTiO3 superlattices

NASA Astrophysics Data System (ADS)

You, Jeong Ho; Lee, Jun Hee

2013-10-01

Transport dimensionality of Ti d electrons in (LaTiO3)1/(SrTiO3)N superlattices has been investigated using density functional theory with local spin-density approximation + U method. Different spatial distribution patterns have been found between Ti t2g orbital electrons. The dxy orbital electrons are highly localized near interfaces due to the potentials by positively charged LaO layers, while the degenerate dyz and dxz orbital electrons are more distributed inside SrTiO3 insulators. For N ≥ 3 unit cells (u.c.), the Ti dxy densities of state exhibit the staircaselike increments, which appear at the same energy levels as the dxy flat bands along the Γ-Z direction in band structures. The kz-independent discrete energy levels indicate that the electrons in dxy flat bands are two-dimensional electron gases (2DEGs) which can transport along interfaces, but they cannot transport perpendicularly to interfaces due to the confinements in the potential wells by LaO layers. Unlike the dxy orbital electrons, the dyz and dxz orbital electrons have three-dimensional (3D) transport characteristics, regardless of SrTiO3 thicknesses. The 2DEG formation by dxy orbital electrons, when N ≥ 3 u.c., indicates the existence of critical SrTiO3 thickness where the electron transport dimensionality starts to change from 3D to 2D in (LaTiO3)1/(SrTiO3)N superlattices.

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

Gerber, S.; Jang, H.; Nojiri, H.

Charge density wave (CDW) correlations have been shown to universally exist in cuprate superconductors. However, their nature at high fields inferred from nuclear magnetic resonance is distinct from that measured by x-ray scattering at zero and low fields. Here we combine a pulsed magnet with an x-ray free electron laser to characterize the CDW in YBa2Cu3O6.67 via x-ray scattering in fields up to 28 Tesla. While the zero-field CDW order, which develops below T ~ 150 K, is essentially two-dimensional, at lower temperature and beyond 15 Tesla, another three-dimensionally ordered CDW emerges. The field-induced CDW onsets around the zero-field superconductingmore » transition temperature, yet the incommensurate inplane ordering vector is field-independent. This implies that the two forms of CDW and hightemperature superconductivity are intimately linked.« less

Three-dimensional self-organization of crystalline gold nanoparticles in amorphous alumina

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

Jin Chunming; Zhou Honghui; Wei Wei

Multilayered heterostructures containing gold nanoparticles embedded in amorphous alumina matrices were deposited on silicon (001) substrates using pulsed laser deposition. The three-dimensional ordering of gold nanoparticles within these multilayered heterostructures was investigated using cross-sectional transmission electron microscopy and image Fourier transformation. Self-organization of gold nanoparticles along the vertical direction was observed in films grown at 20 and at 320 deg. C. Self-organization occurred by means of two different growth modes; both vertically correlated growth (top-on-top) and anticorrelated growth (top-on-middle) mechanisms were observed. The results of these studies suggest that the driving force for vertical ordering in this material is relatedmore » to the long-range elastic interactions among the nanoparticles within the growing films.« less

Higher-dimensional Wannier Interpolation for the Modern Theory of the Dzyaloshinskii-Moriya Interaction: Application to Co-based Trilayers

NASA Astrophysics Data System (ADS)

Hanke, Jan-Philipp; Freimuth, Frank; Blügel, Stefan; Mokrousov, Yuriy

2018-04-01

We present an advanced first-principles formalism to evaluate the Dzyaloshinskii-Moriya interaction (DMI) in its modern theory as well as Berry curvatures in complex spaces based on a higher-dimensional Wannier interpolation. Our method is applied to the Co-based trilayer systems IrδPt1-δ/Co/Pt and AuγPt1-γ/Co/Pt, where we gain insights into the correlations between the electronic structure and the DMI, and we uncover prominent sign changes of the chiral interaction with the overlayer composition. Beyond the discussed phenomena, the scope of applications of our Wannier-based scheme is particularly broad as it is ideally suited to study efficiently the Hamiltonian evolution under the slow variation of very general parameters.

Stripe order in the underdoped region of the two-dimensional Hubbard model

NASA Astrophysics Data System (ADS)

Zheng, Bo-Xiao; Chung, Chia-Min; Corboz, Philippe; Ehlers, Georg; Qin, Ming-Pu; Noack, Reinhard M.; Shi, Hao; White, Steven R.; Zhang, Shiwei; Chan, Garnet Kin-Lic

2017-12-01

Competing inhomogeneous orders are a central feature of correlated electron materials, including the high-temperature superconductors. The two-dimensional Hubbard model serves as the canonical microscopic physical model for such systems. Multiple orders have been proposed in the underdoped part of the phase diagram, which corresponds to a regime of maximum numerical difficulty. By combining the latest numerical methods in exhaustive simulations, we uncover the ordering in the underdoped ground state. We find a stripe order that has a highly compressible wavelength on an energy scale of a few kelvin, with wavelength fluctuations coupled to pairing order. The favored filled stripe order is different from that seen in real materials. Our results demonstrate the power of modern numerical methods to solve microscopic models, even in challenging settings.

Reactive molecular beam epitaxial growth and in situ photoemission spectroscopy study of iridate superlattices

NASA Astrophysics Data System (ADS)

Fan, C. C.; Liu, Z. T.; Cai, S. H.; Wang, Z.; Xiang, P.; Zhang, K. L.; Liu, W. L.; Liu, J. S.; Wang, P.; Zheng, Y.; Shen, D. W.; You, L. X.

2017-08-01

High-quality (001)-oriented perovskite [(SrIrO3)m/(SrTiO3)] superlattices (m=1/2, 1, 2, 3 and ∞ ) films have been grown on SrTiO3(001) epitaxially using reactive molecular beam epitaxy. Compared to previously reported superlattices synthesized by pulsed laser deposition, our superlattices exhibit superior crystalline, interface and surface structure, which have been confirmed by high-resolution X-ray diffraction, scanning transmission electron microscopy and atomic force microscopy, respectively. The transport measurements confirm a novel insulator-metal transition with the change of dimensionality in these superlattices, and our first systematic in situ photoemission spectroscopy study indicates that the increasing strength of effective correlations induced by reducing dimensionality would be the dominating origin of this transition.

Bandgap modulation in photoexcited topological insulator Bi{sub 2}Te{sub 3} via atomic displacements

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

Hada, Masaki, E-mail: hadamasaki@okayama-u.ac.jp; Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama 226-8503; PRESTO, Japan Science and Technology Agency, Kawaguchi 332-0012

2016-07-14

The atomic and electronic dynamics in the topological insulator (TI) Bi{sub 2}Te{sub 3} under strong photoexcitation were characterized with time-resolved electron diffraction and time-resolved mid-infrared spectroscopy. Three-dimensional TIs characterized as bulk insulators with an electronic conduction surface band have shown a variety of exotic responses in terms of electronic transport when observed under conditions of applied pressure, magnetic field, or circularly polarized light. However, the atomic motions and their correlation between electronic systems in TIs under strong photoexcitation have not been explored. The artificial and transient modification of the electronic structures in TIs via photoinduced atomic motions represents a novelmore » mechanism for providing a comparable level of bandgap control. The results of time-domain crystallography indicate that photoexcitation induces two-step atomic motions: first bismuth and then tellurium center-symmetric displacements. These atomic motions in Bi{sub 2}Te{sub 3} trigger 10% bulk bandgap narrowing, which is consistent with the time-resolved mid-infrared spectroscopy results.« less

Extremely correlated Fermi liquid theory of the t-J model in 2 dimensions: low energy properties

NASA Astrophysics Data System (ADS)

Shastry, B. Sriram; Mai, Peizhi

2018-01-01

Low energy properties of the metallic state of the two-dimensional t-J model are presented for second neighbor hopping with hole-doping (t\\prime ≤slant 0) and electron-doping (t\\prime > 0), with various superexchange energy J. We use a closed set of equations for the Greens functions obtained from the extremely correlated Fermi liquid theory. These equations reproduce the known low energies features of the large U Hubbard model in infinite dimensions. The density and temperature dependent quasiparticle weight, decay rate and the peak spectral heights over the Brillouin zone are calculated. We also calculate the resistivity, Hall conductivity, Hall number and cotangent Hall angle. The spectral features display high thermal sensitivity at modest T for density n≳ 0.8, implying a suppression of the effective Fermi-liquid temperature by two orders of magnitude relative to the bare bandwidth. The cotangent Hall angle exhibits a T 2 behavior at low T, followed by an interesting kink at higher T. The Hall number exhibits strong renormalization due to correlations. Flipping the sign of t\\prime changes the curvature of the resistivity versus T curves between convex and concave. Our results provide a natural route for understanding the observed difference in the temperature dependent resistivity of strongly correlated electron-doped and hole-doped matter.

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition. III; Inclusion of Correlation Effects

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2007-01-01

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

PubMed

Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng

2016-12-15

A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.

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 Response of Two Dimensional Electron Gas probed by Two Dimensional Fourier Transform Spectroscopy

NASA Astrophysics Data System (ADS)

Paul, Jagannath

Advent of ultrashort lasers made it possible to probe various scattering phenomena in materials that occur in a time scale on the order of few femtoseconds to several tens of picoseconds. Nonlinear optical spectroscopy techniques, such as pump-probe, transient four wave mixing (TFWM), etc., are very common to study the carrier dynamics in various material systems. In time domain, the transient FWM uses several ultrashort pulses separated by time delays to obtain the information of dephasing and population relaxation times, which are very important parameters that govern the carrier dynamics of materials. A recently developed multidimensional nonlinear optical spectroscopy is an enhanced version of TFWM which keeps track of two time delays simultaneously and correlate them in the frequency domain with the aid of Fourier transform in a two dimensional map. Using this technique, the nonlinear complex signal field is characterized both in amplitude and phase. Furthermore, this technique allows us to identify the coupling between resonances which are rather difficult to interpret from time domain measurements. This work focuses on the study of the coherent response of a two dimensional electron gas formed in a modulation doped GaAs/AlGaAs quantum well both at zero and at high magnetic fields. In modulation doped quantum wells, the excitons are formed as a result of the inter- actions of the charged holes with the electrons at the Fermi edge in the conduction band, leading to the formation of Mahan excitons, which is also referred to as Fermi edge singularity (FES). Polarization and temperature dependent rephasing 2DFT spectra in combination with TI-FWM measurements, provides insight into the dephasing mechanism of the heavy hole (HH) Mahan exciton. In addition to that strong quantum coherence between the HH and LH Mahan excitons is observed, which is rather surprising at this high doping concentration. The binding energy of Mahan excitons is expected to be greatly reduced and any quantum coherence be destroyed as a result of the screening and electron-electron interactions. Such correlations are revealed by the dominating cross-diagonal peaks in both one-quantum and two-quantum 2DFT spectra. Theoretical simulations based on the optical Bloch Equations (OBE) where many-body effects are included phenomenologically, corroborate the experimental results. Time-dependent density functional theory (TD-DFT) 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. Furthermore, in semiconductors under the application of magnetic field, the energy states in conduction and valence bands become quantized and Landau levels are formed. We observe optical excitation originating from different Landau levels in the absorption spectra in an undoped and a modulation doped quantum wells. 2DFT measurements in magnetic field up to 25 Tesla have been performed and the spectra reveal distinct difference in the line shapes in the two samples. In addition, strong coherent coupling between landau levels is observed in the undoped sample. In order to gain deeper understanding of the observations, the experimental results are further supported with TD-DFT calculation.

Si-H bond dynamics in hydrogenated amorphous silicon

NASA Astrophysics Data System (ADS)

Scharff, R. Jason; McGrane, Shawn D.

2007-08-01

The ultrafast structural dynamics of the Si-H bond in the rigid solvent environment of an amorphous silicon thin film is investigated using two-dimensional infrared four-wave mixing techniques. The two-dimensional infrared (2DIR) vibrational correlation spectrum resolves the homogeneous line shapes ( <2.5cm-1 linewidth) of the 0→1 and 1→2 vibrational transitions within the extensively inhomogeneously broadened ( 78cm-1 linewidth) Si-H vibrational band. There is no spectral diffusion evident in correlation spectra obtained at 0.2, 1, and 4ps waiting times. The Si-H stretching mode anharmonic shift is determined to be 84cm-1 and decreases slightly with vibrational frequency. The 1→2 linewidth increases with vibrational frequency. Frequency dependent vibrational population times measured by transient grating spectroscopy are also reported. The narrow homogeneous line shape, large inhomogeneous broadening, and lack of spectral diffusion reported here present the ideal backdrop for using a 2DIR probe following electronic pumping to measure the transient structural dynamics implicated in the Staebler-Wronski degradation [Appl. Phys. Lett. 31, 292 (1977)] in a-Si:H based solar cells.

2D FT-ICR MS of Calmodulin: A Top-Down and Bottom-Up Approach.

PubMed

Floris, Federico; van Agthoven, Maria; Chiron, Lionel; Soulby, Andrew J; Wootton, Christopher A; Lam, Yuko P Y; Barrow, Mark P; Delsuc, Marc-André; O'Connor, Peter B

2016-09-01

Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry (2D FT-ICR MS) allows data-independent fragmentation of all ions in a sample and correlation of fragment ions to their precursors through the modulation of precursor ion cyclotron radii prior to fragmentation. Previous results show that implementation of 2D FT-ICR MS with infrared multi-photon dissociation (IRMPD) and electron capture dissociation (ECD) has turned this method into a useful analytical tool. In this work, IRMPD tandem mass spectrometry of calmodulin (CaM) has been performed both in one-dimensional and two-dimensional FT-ICR MS using a top-down and bottom-up approach. 2D IRMPD FT-ICR MS is used to achieve extensive inter-residue bond cleavage and assignment for CaM, using its unique features for fragment identification in a less time- and sample-consuming experiment than doing the same thing using sequential MS/MS experiments. Graphical Abstract ᅟ.

Magnetic excitation spectra of strongly correlated quasi-one-dimensional systems: Heisenberg versus Hubbard-like behavior

NASA Astrophysics Data System (ADS)

Nocera, A.; Patel, N. D.; Fernandez-Baca, J.; Dagotto, E.; Alvarez, G.

2016-11-01

We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small as U /t ˜2 -3 , although ratios of peak intensities at different momenta continue evolving with increasing U /t converging only slowly to the Heisenberg limit. We discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U /t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.

Quantum melting of a two-dimensional Wigner crystal

NASA Astrophysics Data System (ADS)

Dolgopolov, V. T.

2017-10-01

The paper reviews theoretical predictions about the behavior of two-dimensional low-density electron systems at nearly absolute zero temperatures, including the formation of an electron (Wigner) crystal, crystal melting at a critical electron density, and transitions between crystal modifications in more complex (for example, two-layer) systems. The paper presents experimental results obtained from real two-dimensional systems in which the nonconducting (solid) state of the electronic system with indications of collective localization is actually realized. Experimental methods for detecting a quantum liquid-solid phase interface are discussed.

Two-dimensional electron gas in monolayer InN quantum wells

DOE PAGES

Pan, Wei; Dimakis, Emmanouil; Wang, George T.; ...

2014-11-24

We report in this letter experimental results that confirm the two-dimensional nature of the electron systems in monolayer InN quantum wells embedded in GaN barriers. The electron density and mobility of the two-dimensional electron system (2DES) in these InN quantum wells are 5×10 15 cm -2 and 420 cm 2 /Vs, respectively. Moreover, the diagonal resistance of the 2DES shows virtually no temperature dependence in a wide temperature range, indicating the topological nature of the 2DES.

Nanotextured phase coexistence in the correlated insulator V2O3

NASA Astrophysics Data System (ADS)

McLeod, Alexander

The Mott insulator-metal transition remains among the most studied phenomena in correlated electron physics. However, the formation of spontaneous spatial patterns amidst coexisting insulating and metallic phases remains poorly explored on the meso- and nanoscales. Here we present real-space evolution of the insulator-metal transition in a thin film of V2O3, the ``canonical'' Mott insulator, imaged at high spatial resolution by cryogenic near-field infrared microscopy. We resolve spontaneously nanotextured coexistence of metal and correlated Mott insulator phases near the insulator-metal transition (T = 160-180 K) associated with percolation and an underlying structural phase transition. Augmented with macroscopic temperature-resolved X-ray diffraction measurements of the same film, a quantitative analysis of nano-infrared images acquired across the transition suggests decoupling of electronic and structural transformations. Persistent low-temperature metallicity is accompanied by unconventional dimensional scaling among metallic ``puddles,'' implicating relevance of a long-range Coulombic interaction through the film's first-order insulator-metal transition. The speaker and co-authors acknowledge support from DOE-DE-SC0012375, DOE-DE-SC0012592, and AFOSR Grant No. FA9550-12-1-0381. The speaker also acknowledges support from a US Dept. of Energy Office of Science Graduate Fellowship (DOE SCGF).

Complementary views on electron spectra: From fluctuation diagnostics to real-space correlations

NASA Astrophysics Data System (ADS)

Gunnarsson, O.; Merino, J.; Schäfer, T.; Sangiovanni, G.; Rohringer, G.; Toschi, A.

2018-03-01

We study the relation between the microscopic properties of a many-body system and the electron spectra, experimentally accessible by photoemission. In a recent paper [O. Gunnarsson et al., Phys. Rev. Lett. 114, 236402 (2015), 10.1103/PhysRevLett.114.236402], we introduced the "fluctuation diagnostics" approach to extract the dominant wave-vector-dependent bosonic fluctuations from the electronic self-energy. Here, we first reformulate the theory in terms of fermionic modes to render its connection with resonance valence bond (RVB) fluctuations more transparent. Second, by using a large-U expansion, where U is the Coulomb interaction, we relate the fluctuations to real-space correlations. Therefore, it becomes possible to study how electron spectra are related to charge, spin, superconductivity, and RVB-like real-space correlations, broadening the analysis of an earlier work [J. Merino and O. Gunnarsson, Phys. Rev. B 89, 245130 (2014), 10.1103/PhysRevB.89.245130]. This formalism is applied to the pseudogap physics of the two-dimensional Hubbard model, studied in the dynamical cluster approximation. We perform calculations for embedded clusters with up to 32 sites, having three inequivalent K points at the Fermi surface. We find that as U is increased, correlation functions gradually attain values consistent with an RVB state. This first happens for correlation functions involving the antinodal point and gradually spreads to the nodal point along the Fermi surface. Simultaneously, a pseudogap opens up along the Fermi surface. We relate this to a crossover from a Kondo-type state to an RVB-like localized cluster state and to the presence of RVB and spin fluctuations. These changes are caused by a strong momentum dependence in the cluster bath couplings along the Fermi surface. We also show, from a more algorithmic perspective, how the time-consuming calculations in fluctuation diagnostics can be drastically simplified.

An Energy-Based Three-Dimensional Segmentation Approach for the Quantitative Interpretation of Electron Tomograms

PubMed Central

Bartesaghi, Alberto; Sapiro, Guillermo; Subramaniam, Sriram

2006-01-01

Electron tomography allows for the determination of the three-dimensional structures of cells and tissues at resolutions significantly higher than that which is possible with optical microscopy. Electron tomograms contain, in principle, vast amounts of information on the locations and architectures of large numbers of subcellular assemblies and organelles. The development of reliable quantitative approaches for the analysis of features in tomograms is an important problem, and a challenging prospect due to the low signal-to-noise ratios that are inherent to biological electron microscopic images. This is, in part, a consequence of the tremendous complexity of biological specimens. We report on a new method for the automated segmentation of HIV particles and selected cellular compartments in electron tomograms recorded from fixed, plastic-embedded sections derived from HIV-infected human macrophages. Individual features in the tomogram are segmented using a novel robust algorithm that finds their boundaries as global minimal surfaces in a metric space defined by image features. The optimization is carried out in a transformed spherical domain with the center an interior point of the particle of interest, providing a proper setting for the fast and accurate minimization of the segmentation energy. This method provides tools for the semi-automated detection and statistical evaluation of HIV particles at different stages of assembly in the cells and presents opportunities for correlation with biochemical markers of HIV infection. The segmentation algorithm developed here forms the basis of the automated analysis of electron tomograms and will be especially useful given the rapid increases in the rate of data acquisition. It could also enable studies of much larger data sets, such as those which might be obtained from the tomographic analysis of HIV-infected cells from studies of large populations. PMID:16190467

Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2

NASA Astrophysics Data System (ADS)

Liu, Jing-Min; Zhai, Yu; Li, Hui

2017-07-01

An effective six-dimensional ab initio potential energy surface (PES) for H2-OCS which explicitly includes the intramolecular stretch normal modes of carbonyl sulfide (OCS) is presented. The electronic structure computations are carried out using the explicitly correlated coupled cluster [CCSD(T)-F12] method with the augmented correlation-consistent aug-cc-pVTZ basis set, and the accuracy is critically tested by performing a series of benchmark calculations. Analytic four-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies to the Morse/long-range potential model. These fits to 13 485 points have a root-mean-square deviation (RMSD) of 0.16 cm-1. The combined radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm were employed to evaluate the rovibrational energy levels for five isotopic species of the OCS-hydrogen complexes. The predicted transition frequencies and intensities based on the resulting vibrationally averaged PESs are in good agreement with the available experimental values, whose RMSDs are smaller than 0.004 cm-1 for five different species of OCS-hydrogen complexes. The calculated infrared band origin shifts for all five species of OCS-hydrogen complexes are only 0.03 cm-1 smaller than the corresponding experimental values. These validate the high quality of our PESs which can be used for modeling OCS doped in hydrogen clusters to further study quantum solution and microscopic superfluidity. In addition, the analytic coordinate transformation functions between isotopologues are also derived due to the center of mass shifting of different isotope substitutes.

A VLSI implementation for synthetic aperture radar image processing

NASA Technical Reports Server (NTRS)

Premkumar, A.; Purviance, J.

1990-01-01

A simple physical model for the Synthetic Aperture Radar (SAR) is presented. This model explains the one dimensional and two dimensional nature of the received SAR signal in the range and azimuth directions. A time domain correlator, its algorithm, and features are explained. The correlator is ideally suited for VLSI implementation. A real time SAR architecture using these correlators is proposed. In the proposed architecture, the received SAR data is processed using one dimensional correlators for determining the range while two dimensional correlators are used to determine the azimuth of a target. The architecture uses only three different types of custom VLSI chips and a small amount of memory.

Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe1 -xSex

NASA Astrophysics Data System (ADS)

Xu, Zhijun; Schneeloch, J. A.; Wen, Jinsheng; Božin, E. S.; Granroth, G. E.; Winn, B. L.; Feygenson, M.; Birgeneau, R. J.; Gu, Genda; Zaliznyak, I. A.; Tranquada, J. M.; Xu, Guangyong

2016-03-01

It has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe1 -xSex . We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. Finally, we also present powder neutron diffraction results for lattice parameters in FeTe1 -xSex indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3 d orbitals.

Three dimensional electron microscopy and in silico tools for macromolecular structure determination

PubMed Central

Borkotoky, Subhomoi; Meena, Chetan Kumar; Khan, Mohammad Wahab; Murali, Ayaluru

2013-01-01

Recently, structural biology witnessed a major tool - electron microscopy - in solving the structures of macromolecules in addition to the conventional techniques, X-ray crystallography and nuclear magnetic resonance (NMR). Three dimensional transmission electron microscopy (3DTEM) is one of the most sophisticated techniques for structure determination of molecular machines. Known to give the 3-dimensional structures in its native form with literally no upper limit on size of the macromolecule, this tool does not need the crystallization of the protein. Combining the 3DTEM data with in silico tools, one can have better refined structure of a desired complex. In this review we are discussing about the recent advancements in three dimensional electron microscopy and tools associated with it. PMID:27092033

Two-Dimensional J eff = 1 / 2 Antiferromagnetic Insulator Unraveled from Interlayer Exchange Coupling in Artificial Perovskite Iridate Superlattices

DOE PAGES

Hao, Lin; Meyers, D.; Frederick, Clayton; ...

2017-07-14

We report an experimental investigation of the two-dimensional J eff=1/2 antiferromagnetic Mott insulator by varying the interlayer exchange coupling in [(SrIrO 3) 1, (SrTiO 3) m] (m=1, 2 and 3) superlattices. Although all samples exhibited an insulating ground state with long-range magnetic order, temperature-dependent resistivity measurements showed a stronger insulating behavior in the m = 2 and m = 3 samples than the m = 1 sample which displayed a clear kink at the magnetic transition. This difference indicates that the blocking effect of the excessive SrTiO 3 layer enhances the effective electron-electron correlation and strengthens the Mott phase. Themore » significant reduction of the Néel temperature from 150 K for m = 1 to 40 K for m = 2 demonstrates that the long-range order stability in the former is boosted by a substantial interlayer exchange coupling. Resonant x-ray magnetic scattering revealed that the interlayer exchange coupling has a switchable sign, depending on the SrTiO 3 layer number m, for maintaining canting-induced weak ferromagnetism. In conclusion, the nearly unaltered transition temperature between the m = 2 and the m = 3 demonstrated that we have realized a two-dimensional antiferromagnet at finite temperatures with diminishing interlayer exchange coupling.« less

Two-Dimensional J eff = 1 / 2 Antiferromagnetic Insulator Unraveled from Interlayer Exchange Coupling in Artificial Perovskite Iridate Superlattices

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

Hao, Lin; Meyers, D.; Frederick, Clayton

We report an experimental investigation of the two-dimensional J eff=1/2 antiferromagnetic Mott insulator by varying the interlayer exchange coupling in [(SrIrO 3) 1, (SrTiO 3) m] (m=1, 2 and 3) superlattices. Although all samples exhibited an insulating ground state with long-range magnetic order, temperature-dependent resistivity measurements showed a stronger insulating behavior in the m = 2 and m = 3 samples than the m = 1 sample which displayed a clear kink at the magnetic transition. This difference indicates that the blocking effect of the excessive SrTiO 3 layer enhances the effective electron-electron correlation and strengthens the Mott phase. Themore » significant reduction of the Néel temperature from 150 K for m = 1 to 40 K for m = 2 demonstrates that the long-range order stability in the former is boosted by a substantial interlayer exchange coupling. Resonant x-ray magnetic scattering revealed that the interlayer exchange coupling has a switchable sign, depending on the SrTiO 3 layer number m, for maintaining canting-induced weak ferromagnetism. In conclusion, the nearly unaltered transition temperature between the m = 2 and the m = 3 demonstrated that we have realized a two-dimensional antiferromagnet at finite temperatures with diminishing interlayer exchange coupling.« less

Interaction and Correlation Effects in Quasi Two-dimensional Materials

NASA Astrophysics Data System (ADS)

Louie, Steven G.

2015-03-01

Experimental and theoretical studies of atomically thin quasi two-dimensional materials (typically related to some parent van der Waals layered crystals) and their nanostructures have revealed that these systems can exhibit highly unusual behaviors. In this talk, we discuss some theoretical studies of the electronic, transport and optical properties of such systems. We present results on graphene and graphene nanostructures as well as other quasi-2D systems such as monolayer and few-layer transition metal dichalcogenides (e.g., MoS2, MoSe2, WS2, and WSe2) and metal monochalcogenides (such as GaSe and FeSe). Owing to their reduced dimensionality, these systems present opportunities for unusual manifestation of concepts and phenomena that may not be so prominent or have not been seen in bulk materials. Symmetry and many-body interaction effects often play a critical role in shaping qualitatively and quantitatively their properties. Several quantum phenomena are discussed, including novel and dominant exciton effects, tunable magnetism, electron supercollimation by disorder, unusual plasmon behaviors, and possible enhanced superconductivity in some of these systems. We investigate their physical origins and compare theoretical predictions with experimental data. This work was supported by DOE under Contract No. DE-AC02-05CH11231 and by NSF under Grant No. DMR10-1006184. I would like to acknowledge collaborations with members of the Louie group and the experimental groups of Crommie, Heinz, Wang, and Zhang.

Localization effects in radiationally disordered high-temperature superconductors: Theoretical interpretation

NASA Technical Reports Server (NTRS)

Goshchitskii, B. N.; Davydov, S. A.; Karkin, A. E.; Mirmelstein, A. V.; Sadovskii, M. V.

1990-01-01

Theoretical interpretation of recent experiments on radiationally disordered high-temperature superconductors is presented, based on the concepts of mutual interplay of Anderson localization and superconductivity. Microscopic derivation of Ginzburg-Landau coefficients for the quasi-two-dimensional system in the vicinity of localization transition is given in the framework of the self-consistent theory of localization. The 'minimal metallic conductivity' for the quasi-two-dimensional case is enhanced due to a small overlap of electronic states on the nearest neighbor conducting planes. This leads to a stronger influence of localization effects than in ordinary (three-dimensional) superconductors. From this point of view even the initial samples of high-temperature superconductors are already very close to Anderson transition. Anomalies of H(c2) are also analyzed, explaining the upward curvature of H(c2)(T) and apparent independence of dH(c2)/dT (T = T(sub c)) on the degree of disorder as due to localization effects. Researchers discuss the possible reasons of fast T(sub c) degradation due to the enhanced Coulomb effects caused by the disorder induced decrease of localization length. The appearance and growth of localized magnetic moments is also discussed. The disorder dependence of localization length calculated from the experimental data on conductivity correlates reasonably with the theoretical criterion for suppression of superconductivity in the system with localized electronic states.

Frontiers of in situ electron microscopy

DOE PAGES

Zheng, Haimei; Zhu, Yimei; Meng, Shirley Ying

2015-01-01

In situ transmission electron microscopy (TEM) has become an increasingly important tool for materials characterization. It provides key information on the structural dynamics of a material during transformations and the correlation between structure and properties of materials. With the recent advances in instrumentation, including aberration corrected optics, sample environment control, the sample stage, and fast and sensitive data acquisition, in situ TEM characterization has become more and more powerful. In this article, a brief review of the current status and future opportunities of in situ TEM is included. It also provides an introduction to the six articles covered by inmore » this issue of MRS Bulletin explore the frontiers of in situ electron microscopy, including liquid and gas environmental TEM, dynamic four-dimensional TEM, nanomechanics, ferroelectric domain switching studied by in situ TEM, and state-of-the-art atomic imaging of light elements (i.e., carbon atoms) and individual defects.« less

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

Order, criticality, and excitations in the extended Falicov-Kimball model.

PubMed

Ejima, S; Kaneko, T; Ohta, Y; Fehske, H

2014-01-17

Using exact numerical techniques, we investigate the nature of excitonic (electron-hole) bound states and the development of exciton coherence in the one-dimensional half-filled extended Falicov-Kimball model. The ground-state phase diagram of the model exhibits, besides band-insulator and staggered orbital ordered phases, an excitonic insulator (EI) with power-law correlations. The criticality of the EI state shows up in the von Neumann entropy. The anomalous spectral function and condensation amplitude provide the binding energy and coherence length of the electron-hole pairs which, on their part, point towards a Coulomb interaction driven crossover from BCS-like electron-hole pairing fluctuations to tightly bound excitons. We show that while a mass imbalance between electrons and holes does not affect the location of the BCS-BEC crossover regime, it favors staggered orbital ordering to the disadvantage of the EI. Within the Bose-Einstein condensation (BEC) regime, the quasiparticle dispersion develops a flat valence-band top, in accord with the experimental finding for Ta2NiSe5.

Temperature dependences of the time of electron-electron interactions in two-dimensional heterojunction

NASA Astrophysics Data System (ADS)

Bukhenskyy, K. V.; Dubois, A. B.; Kucheryavyy, S. I.; Mashnina, S. N.; Safoshkin, A. S.; Baukov, A. A.; Shchigorev, E. Yu

2017-12-01

The article discusses the joint solution of the Schrödinger and Poisson equations for two-dimensional semiconductor heterojunction. The application of a triangular potential of well approximation for the calculation of the electron-electron interaction is offered in the paper. The influence of the parameters of the selected approximation was analyzed.

Visualizing One-Dimensional Electronic States and their Scattering in Semi-conducting Nanowires

NASA Astrophysics Data System (ADS)

Beidenkopf, Haim; Reiner, Jonathan; Norris, Andrew; Nayak, Abhay Kumar; Avraham, Nurit; Shtrikman, Hadas

One-dimensional electronic systems constitute a fascinating playground for the emergence of exotic electronic effects and phases, within and beyond the Tomonaga-Luttinger liquid paradigm. More recently topological superconductivity and Majorana modes were added to that long list of phenomena. We report scanning tunneling microscopy and spectroscopy measurements conducted on pristine, epitaxialy grown InAs nanowires. We resolve the 1D electronic band structure manifested both via Van-Hove singularities in the local density-of-states, as well as by the quasi-particle interference patterns, induced by scattering from surface impurities. By studying the scattering of the one-dimensional electronic states off various scatterers, including crystallographic defects and the nanowire end, we identify new one-dimensional relaxation regimes and yet unexplored effects of interactions. Some of these may bear implications on the topological superconducting state and Majorana modes therein. The authors acknowledge support from the Israeli Science Foundation (ISF).

Three-dimensional electron diffraction of plant light-harvesting complex

PubMed Central

Wang, Da Neng; Kühlbrandt, Werner

1992-01-01

Electron diffraction patterns of two-dimensional crystals of light-harvesting chlorophyll a/b-protein complex (LHC-II) from photosynthetic membranes of pea chloroplasts, tilted at different angles up to 60°, were collected to 3.2 Å resolution at -125°C. The reflection intensities were merged into a three-dimensional data set. The Friedel R-factor and the merging R-factor were 21.8 and 27.6%, respectively. Specimen flatness and crystal size were critical for recording electron diffraction patterns from crystals at high tilts. The principal sources of experimental error were attributed to limitations of the number of unit cells contributing to an electron diffraction pattern, and to the critical electron dose. The distribution of strong diffraction spots indicated that the three-dimensional structure of LHC-II is less regular than that of other known membrane proteins and is not dominated by a particular feature of secondary structure. ImagesFIGURE 1FIGURE 2 PMID:19431817

An optical/digital processor - Hardware and applications

NASA Technical Reports Server (NTRS)

Casasent, D.; Sterling, W. M.

1975-01-01

A real-time two-dimensional hybrid processor consisting of a coherent optical system, an optical/digital interface, and a PDP-11/15 control minicomputer is described. The input electrical-to-optical transducer is an electron-beam addressed potassium dideuterium phosphate (KD2PO4) light valve. The requirements and hardware for the output optical-to-digital interface, which is constructed from modular computer building blocks, are presented. Initial experimental results demonstrating the operation of this hybrid processor in phased-array radar data processing, synthetic-aperture image correlation, and text correlation are included. The applications chosen emphasize the role of the interface in the analysis of data from an optical processor and possible extensions to the digital feedback control of an optical processor.

Direct Imaging of Charge Density Modulation in Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography

DTIC Science & Technology

2015-08-16

Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography 5a. CONTRACT NUMBER FA2386-13-1-4136...Hetero-Interfaces by Using Electron Bean Inline Holography 5a. CONTRACT NUMBER FA2386-13-1-4136 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 61102F

Fokker-Planck simulation of runaway electron generation in disruptions with the hot-tail effect

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

Nuga, H., E-mail: nuga@p-grp.nucleng.kyoto-u.ac.jp; Fukuyama, A.; Yagi, M.

2016-06-15

To study runaway electron generation in disruptions, we have extended the three-dimensional (two-dimensional in momentum space; one-dimensional in the radial direction) Fokker-Planck code, which describes the evolution of the relativistic momentum distribution function of electrons and the induced toroidal electric field in a self-consistent manner. A particular focus is placed on the hot-tail effect in two-dimensional momentum space. The effect appears if the drop of the background plasma temperature is sufficiently rapid compared with the electron-electron slowing down time for a few times of the pre-quench thermal velocity. It contributes to not only the enhancement of the primary runaway electronmore » generation but also the broadening of the runaway electron distribution in the pitch angle direction. If the thermal energy loss during the major disruption is assumed to be isotropic, there are hot-tail electrons that have sufficiently large perpendicular momentum, and the runaway electron distribution becomes broader in the pitch angle direction. In addition, the pitch angle scattering also yields the broadening. Since the electric field is reduced due to the burst of runaway electron generation, the time required for accelerating electrons to the runaway region becomes longer. The longer acceleration period makes the pitch-angle scattering more effective.« less

Visualizing ligand molecules in twilight electron density

PubMed Central

Weichenberger, Christian X.; Pozharski, Edwin; Rupp, Bernhard

2013-01-01

Three-dimensional models of protein structures determined by X-ray crystallo­graphy are based on the interpretation of experimentally derived electron-density maps. The real-space correlation coefficient (RSCC) provides an easily comprehensible, objective measure of the residue-based fit of atom coordinates to electron density. Among protein structure models, protein–ligand complexes are of special interest, given their contribution to understanding the molecular underpinnings of biological activity and to drug design. For consumers of such models, it is not trivial to determine the degree to which ligand-structure modelling is biased by subjective electron-density interpretation. A standalone script, Twilight, is presented for the analysis, visualization and annotation of a pre-filtered set of 2815 protein–ligand complexes deposited with the PDB as of 15 January 2012 with ligand RSCC values that are below a threshold of 0.6. It also provides simplified access to the visualization of any protein–ligand complex available from the PDB and annotated by the Uppsala Electron Density Server. The script runs on various platforms and is available for download at http://www.ruppweb.org/twilight/. PMID:23385767

Visualizing ligand molecules in Twilight electron density.

PubMed

Weichenberger, Christian X; Pozharski, Edwin; Rupp, Bernhard

2013-02-01

Three-dimensional models of protein structures determined by X-ray crystallography are based on the interpretation of experimentally derived electron-density maps. The real-space correlation coefficient (RSCC) provides an easily comprehensible, objective measure of the residue-based fit of atom coordinates to electron density. Among protein structure models, protein-ligand complexes are of special interest, given their contribution to understanding the molecular underpinnings of biological activity and to drug design. For consumers of such models, it is not trivial to determine the degree to which ligand-structure modelling is biased by subjective electron-density interpretation. A standalone script, Twilight, is presented for the analysis, visualization and annotation of a pre-filtered set of 2815 protein-ligand complexes deposited with the PDB as of 15 January 2012 with ligand RSCC values that are below a threshold of 0.6. It also provides simplified access to the visualization of any protein-ligand complex available from the PDB and annotated by the Uppsala Electron Density Server. The script runs on various platforms and is available for download at http://www.ruppweb.org/twilight/.

Electronic properties of epitaxial silicene: a LT-STM/STS study

NASA Astrophysics Data System (ADS)

Fleurence, Antoine; Lee, Chi-Cheng; Ozaki, Taisuke; Yamada-Takamura, Yukiko; Yoshida, Yasuo; Hasegawa, Yukio

2013-03-01

The astonishing properties of silicene, the Si-counterpart of graphene, together with pioneering experimental observations, triggered in the very recent years, an exponentially increasing interest for this atom-thick material, both at fundamental level and for applications in high-speed electronic devices. We demonstrated, that the spontaneous segregation of silicon on (0001) surface of zirconium diboride (ZrB2) thin films epitaxied on Si(111) wafers gives rise to a wide-scale uniform two-dimensional silicene sheet. The silicene nature of the honeycomb structure imaged by scanning tunneling microscopy is evidenced by the observation of gap-opened π-electronic bands. The band gap opening is primarily due the specifically imprinted buckling. Here, we present the results of a low-temperature scanning tunneling spectroscopy investigation, which evidences the n-doped nature of silicene. The mapping of the local density of states, together with density functional theory give precious insights into the microscopic origin of the electronic bands of silicene. In particular, it shows the correlation between the degree of sp2 hybridization of different Si atoms in the internal structure and the character of the electronic bands.

The influence of further-neighbor spin-spin interaction on a ground state of 2D coupled spin-electron model in a magnetic field

NASA Astrophysics Data System (ADS)

Čenčariková, Hana; Strečka, Jozef; Gendiar, Andrej; Tomašovičová, Natália

2018-05-01

An exhaustive ground-state analysis of extended two-dimensional (2D) correlated spin-electron model consisting of the Ising spins localized on nodal lattice sites and mobile electrons delocalized over pairs of decorating sites is performed within the framework of rigorous analytical calculations. The investigated model, defined on an arbitrary 2D doubly decorated lattice, takes into account the kinetic energy of mobile electrons, the nearest-neighbor Ising coupling between the localized spins and mobile electrons, the further-neighbor Ising coupling between the localized spins and the Zeeman energy. The ground-state phase diagrams are examined for a wide range of model parameters for both ferromagnetic as well as antiferromagnetic interaction between the nodal Ising spins and non-zero value of external magnetic field. It is found that non-zero values of further-neighbor interaction leads to a formation of new quantum states as a consequence of competition between all considered interaction terms. Moreover, the new quantum states are accompanied with different magnetic features and thus, several kinds of field-driven phase transitions are observed.

Excitation transfer and trapping kinetics in plant photosystem I probed by two-dimensional electronic spectroscopy.

PubMed

Akhtar, Parveen; Zhang, Cheng; Liu, Zhengtang; Tan, Howe-Siang; Lambrev, Petar H

2018-03-01

Photosystem I is a robust and highly efficient biological solar engine. Its capacity to utilize virtually every absorbed photon's energy in a photochemical reaction generates great interest in the kinetics and mechanisms of excitation energy transfer and charge separation. In this work, we have employed room-temperature coherent two-dimensional electronic spectroscopy and time-resolved fluorescence spectroscopy to follow exciton equilibration and excitation trapping in intact Photosystem I complexes as well as core complexes isolated from Pisum sativum. We performed two-dimensional electronic spectroscopy measurements with low excitation pulse energies to record excited-state kinetics free from singlet-singlet annihilation. Global lifetime analysis resolved energy transfer and trapping lifetimes closely matches the time-correlated single-photon counting data. Exciton energy equilibration in the core antenna occurred on a timescale of 0.5 ps. We further observed spectral equilibration component in the core complex with a 3-4 ps lifetime between the bulk Chl states and a state absorbing at 700 nm. Trapping in the core complex occurred with a 20 ps lifetime, which in the supercomplex split into two lifetimes, 16 ps and 67-75 ps. The experimental data could be modelled with two alternative models resulting in equally good fits-a transfer-to-trap-limited model and a trap-limited model. However, the former model is only possible if the 3-4 ps component is ascribed to equilibration with a "red" core antenna pool absorbing at 700 nm. Conversely, if these low-energy states are identified with the P 700 reaction centre, the transfer-to-trap-model is ruled out in favour of a trap-limited model.

A new spin on electron liquids: Phenomena in systems with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Bernevig, B. Andrei

Conventional microelectronic devices are based on the ability to store and control the flow of electronic charge. Spin-based electronics promises a radical alternative, offering the possibility of logic operations with much lower power consumption than equivalent charge-based logic operations. Our research suggests that spin transport is fundamentally different from the transport of charge. The generalized Ohm's law that governs the flow of spins indicates that the generation of spin current by an electric field can be reversible and non-dissipative. Spin-orbit coupling and spin currents appear in many other seemingly unrelated areas of physics. Spin currents are as fundamental in theoretical physics as charge currents. In strongly correlated systems such as spin-chains, one can write down the Hamiltonian as a spin-current - spin-current interaction. The research presented here shows that the fractionalized excitations of one-dimensional spin chains are gapless and carry spin current. We present the most interesting example of such a chain, the Haldane-Shastry spin chain, which is exactly solvable in terms of real-space wavefunctions. Spin-orbit coupling can be found in high-energy physics, hidden under a different name: non-trivial fibrations. Particles moving in a space which is non-trivially related to an (iso)spin space acquire a gauge connection (the condensed-matter equivalent of a Berry phase) which can be either abelian or non-abelian. In most cases, the consequences of such gauge connection are far-reaching. We present a problem where particles move on an 8-dimensional manifold and posses an isospin space with is a 7-sphere S 7. The non-trivial isospin space gives the Hamiltonian SO (8) landau-level structure, and the system exhibits a higher-dimensional Quantum Hall Effect.

Critical behavior in graphene with Coulomb interactions.

PubMed

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

2010-05-07

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

Sizable band gap in organometallic topological insulator

NASA Astrophysics Data System (ADS)

Derakhshan, V.; Ketabi, S. A.

2017-01-01

Based on first principle calculation when Ceperley-Alder and Perdew-Burke-Ernzerh type exchange-correlation energy functional were adopted to LSDA and GGA calculation, electronic properties of organometallic honeycomb lattice as a two-dimensional topological insulator was calculated. In the presence of spin-orbit interaction bulk band gap of organometallic lattice with heavy metals such as Au, Hg, Pt and Tl atoms were investigated. Our results show that the organometallic topological insulator which is made of Mercury atom shows the wide bulk band gap of about ∼120 meV. Moreover, by fitting the conduction and valence bands to the band-structure which are produced by Density Functional Theory, spin-orbit interaction parameters were extracted. Based on calculated parameters, gapless edge states within bulk insulating gap are indeed found for finite width strip of two-dimensional organometallic topological insulators.

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

Gerber, S.; Jang, H.; Nojiri, H.

In this study, charge density wave (CDW) correlations have recently been shown to universally exist in cuprate superconductors. However, their nature at high fields inferred from nuclear magnetic resonance is distinct from that measured by x-ray scattering at zero and low fields. Here we combine a pulsed magnet with an x-ray free electron laser to characterize the CDW in YBa 2Cu 3O 6.67 via x-ray scattering in fields up to 28 Tesla. While the zero-field CDW order, which develops below T ~ 150 K, is essentially two-dimensional, at lower temperature and beyond 15 Tesla, another three-dimensionally ordered CDW emerges. Themore » field-induced CDW onsets around the zero-field superconducting transition temperature, yet the incommensurate in-plane ordering vector is field-independent. This implies that the two forms of CDW and high-temperature superconductivity are intimately linked.« less

Transport spectroscopy of induced superconductivity in the three-dimensional topological insulator HgTe

NASA Astrophysics Data System (ADS)

Wiedenmann, Jonas; Liebhaber, Eva; Kübert, Johannes; Bocquillon, Erwann; Burset, Pablo; Ames, Christopher; Buhmann, Hartmut; Klapwijk, Teun M.; Molenkamp, Laurens W.

2017-10-01

The proximity-induced superconducting state in the three-dimensional topological insulator HgTe has been studied using electronic transport of a normal metal-superconducting point contact as a spectroscopic tool (Andreev point-contact spectroscopy). By analyzing the conductance as a function of voltage for various temperatures, magnetic fields, and gate voltages, we find evidence, in equilibrium, for an induced order parameter in HgTe of 70 µeV and a niobium order parameter of 1.1 meV. To understand the full conductance curve as a function of applied voltage we suggest a non-equilibrium-driven transformation of the quantum transport process where the relevant scattering region and equilibrium reservoirs change with voltage. This change implies that the spectroscopy probes the superconducting correlations at different positions in the sample, depending on the bias voltage.

Inter-subband structure factor for a quasi-one-dimensional polaron gas

NASA Astrophysics Data System (ADS)

Machado, Paulo César Miranda; Osório, Francisco Aparecido Pinto; Borges, Antônio Newton

2016-08-01

In this work, the collective excitation spectra of quasi-one-dimensional plasmon in a rectangular GaAs quantum wire is investigated. Our calculations are performed within the Singwi, Tosi, Land and Sjölander (STLS) self-consistent theory taking into account the plasmon-longitudinal optical (LO) phonon coupling effects. We have employed a three subband model with only the first subband occupied by electrons and we have considered intra-subband and inter-subband transitions. We show that the polaronic effects cause the appearance of dips and oscillations in the static structure factor dispersion relation, which are directly related with the oscillator strength transfer between the collective excitation energy branches. We have also observed oscillations in the pair-correlation function that are characteristic of inter-subband transitions and it denotes partial localization of the particle.

Chaos in plasma simulation and experiment

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

Watts, C.; Newman, D.E.; Sprott, J.C.

1993-09-01

We investigate the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas using data from both numerical simulations and experiment. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos. These tools include phase portraits and Poincard sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulate the plasma dynamics. These are -the DEBS code, which models global RFPmore » dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low,dimensional chaos and simple determinism. Experimental data were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or other simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

Electron Microscopy Imaging of Zinc Soaps Nucleation in Oil Paint.

PubMed

Hermans, Joen; Osmond, Gillian; van Loon, Annelies; Iedema, Piet; Chapman, Robyn; Drennan, John; Jack, Kevin; Rasch, Ronald; Morgan, Garry; Zhang, Zhi; Monteiro, Michael; Keune, Katrien

2018-06-04

Using the recently developed techniques of electron tomography, we have explored the first stages of disfiguring formation of zinc soaps in modern oil paintings. The formation of complexes of zinc ions with fatty acids in paint layers is a major threat to the stability and appearance of many late 19th and early 20th century oil paintings. Moreover, the occurrence of zinc soaps in oil paintings leading to defects is disturbingly common, but the chemical reactions and migration mechanisms leading to large zinc soap aggregates or zones remain poorly understood. State-of-the-art scanning (SEM) and transmission (TEM) electron microscopy techniques, primarily developed for biological specimens, have enabled us to visualize the earliest stages of crystalline zinc soap growth in a reconstructed zinc white (ZnO) oil paint sample. In situ sectioning techniques and sequential imaging within the SEM allowed three-dimensional tomographic reconstruction of sample morphology. Improvements in the detection and discrimination of backscattered electrons enabled us to identify local precipitation processes with small atomic number contrast. The SEM images were correlated to low-dose and high-sensitivity TEM images, with high-resolution tomography providing unprecedented insight into the structure of nucleating zinc soaps at the molecular level. The correlative approach applied here to study phase separation, and crystallization processes specific to a problem in art conservation creates possibilities for visualization of phase formation in a wide range of soft materials.

Two-dimensional optimization of free electron laser designs

DOEpatents

Prosnitz, Donald; Haas, Roger A.

1985-01-01

Off-axis, two-dimensional designs for free electron lasers that maintain correspondence of a light beam with a "synchronous electron" at an optimal transverse radius r>0 to achieve increased beam trapping efficiency and enhanced laser beam wavefront control so as to decrease optical beam diffraction and other deleterious effects.

Correlation of two-photon in vivo imaging and FIB/SEM microscopy

PubMed Central

Blazquez-Llorca, L; Hummel, E; Zimmerman, H; Zou, C; Burgold, S; Rietdorf, J; Herms, J

2015-01-01

Advances in the understanding of brain functions are closely linked to the technical developments in microscopy. In this study, we describe a correlative microscopy technique that offers a possibility of combining two-photon in vivo imaging with focus ion beam/scanning electron microscope (FIB/SEM) techniques. Long-term two-photon in vivo imaging allows the visualization of functional interactions within the brain of a living organism over the time, and therefore, is emerging as a new tool for studying the dynamics of neurodegenerative diseases, such as Alzheimer’s disease. However, light microscopy has important limitations in revealing alterations occurring at the synaptic level and when this is required, electron microscopy is mandatory. FIB/SEM microscopy is a novel tool for three-dimensional high-resolution reconstructions, since it acquires automated serial images at ultrastructural level. Using FIB/SEM imaging, we observed, at 10 nm isotropic resolution, the same dendrites that were imaged in vivo over 9 days. Thus, we analyzed their ultrastructure and monitored the dynamics of the neuropil around them. We found that stable spines (present during the 9 days of imaging) formed typical asymmetric contacts with axons, whereas transient spines (present only during one day of imaging) did not form a synaptic contact. Our data suggest that the morphological classification that was assigned to a dendritic spine according to the in vivo images did not fit with its ultrastructural morphology. The correlative technique described herein is likely to open opportunities for unravelling the earlier unrecognized complexity of the nervous system. Lay Description Neuroscience and the understanding of brain functions are closely linked to the technical advances in microscopy. In this study we performed a correlative microscopy technique that offers the possibility to combine 2 photon in vivo imaging and FIB/SEM microscopy. Long term 2 photon in vivo imaging allows the visualization of functional interactions within the brain of a living organism over the time, and therefore, is emerging as a new tool to study the dynamics of neurodegenerative diseases, such as Alzheimer’s disease. However, light microscopy has important limitations in revealing synapses that are the connections between neurons, and for this purpose, the electron microscopy is necessary. FIB/SEM microscopy is a novel tool for three-dimensional (3D) high resolution reconstructions since it acquires automated serial images at ultrastructural level. This correlative technique will open up new horizons and opportunities for unravelling the complexity of the nervous system. PMID:25786682

Real-space finite-difference approach for multi-body systems: path-integral renormalization group method and direct energy minimization method.

PubMed

Sasaki, Akira; Kojo, Masashi; Hirose, Kikuji; Goto, Hidekazu

2011-11-02

The path-integral renormalization group and direct energy minimization method of practical first-principles electronic structure calculations for multi-body systems within the framework of the real-space finite-difference scheme are introduced. These two methods can handle higher dimensional systems with consideration of the correlation effect. Furthermore, they can be easily extended to the multicomponent quantum systems which contain more than two kinds of quantum particles. The key to the present methods is employing linear combinations of nonorthogonal Slater determinants (SDs) as multi-body wavefunctions. As one of the noticeable results, the same accuracy as the variational Monte Carlo method is achieved with a few SDs. This enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation. Recent activities on methodological developments aiming towards practical calculations such as the implementation of auxiliary field for Coulombic interaction, the treatment of the kinetic operator in imaginary-time evolutions, the time-saving double-grid technique for bare-Coulomb atomic potentials and the optimization scheme for minimizing the total-energy functional are also introduced. As test examples, the total energy of the hydrogen molecule, the atomic configuration of the methylene and the electronic structures of two-dimensional quantum dots are calculated, and the accuracy, availability and possibility of the present methods are demonstrated.

Effects of Structural and Electronic Disorder in Topological Insulator Sb2Te3 Thin Films

NASA Astrophysics Data System (ADS)

Korzhovska, Inna

Topological quantum matter is a unique and potentially transformative protectorate against disorder-induced backscattering. The ultimate disorder limits to the topological state, however, are still not known - understanding these limits is critical to potential applications in the fields of spintronics and information processing. In topological insulators spin-orbit interaction and time-reversal-symmetry invariance guarantees - at least up to a certain disorder strength - that charge transport through 2D gapless Dirac surface states is robust against backscattering by non-magnetic disorder. Strong disorder may destroy topological protection and gap out Dirac surface states, although recent theories predict that under severe electronic disorder a quantized topological conductance might yet reemerge. Very strong electronic disorder, however, is not trivial to install and quantify, and topological matter under such conditions thus far has not been experimentally tested. This thesis addresses the behavior of three-dimensional (3D) topological insulator (TI) films in a wide range of structural and electronic disorder. We establish strong positional disorder in thin (20-50 nm) Sb2Te 3 films, free of extrinsic magnetic dopants. Sb 2Te3 is a known 2nd generation topological insulator in the low-disorder crystalline state. It is also a known phase-change material that undergoes insulator-to-metal transition with the concurrent orders of magnitude resistive drop, where a huge range of disorder could be controllably explored. In this work we show that even in the absence of magnetic dopants, disorder may induce spin correlations detrimental to the topological state. Chapter 1 contains a brief introduction to the topological matter and describes the role played by disorder. This is followed by theory considerations and a survey of prior experimental work. Next we describe the motivation for our experiments and explain the choice of the material. Chapter 2 describes deposition techniques used for material growth, including the parameters significance and effects on the material properties. Chapter 3 describes structural and electrical characterization techniques employed in the work. In Chapter 4-5 we discuss the experimental results. Sb2Te 3 films at extreme disorder, where spin correlations dominate the transport of charge, are discussed in Chapter 4. We employ transport measurements as our main tool to explore disorder-induced changes in the Sb2Te 3. In addition we directly detect disorder-induced spin response in thin Sb2Te3 films free of extrinsic magnetic dopants; it onsets at a surprisingly high temperature ( 200 K) and vanishes when disorder is reduced. Localized spins control the hopping (tunneling) transport through spin memory induced by the non-equilibrium charge currents. The observed spin-memory phenomenon emerges as negative magnetoresistance distinct from orbital quantum interference effects. The hopping mechanism and spin correlations dominate transport over an extensive disorder range. Spin correlations are eventually suppressed by the restoration of positional order in the (bulk) crystalline state, implying a disorder threshold to the topological state. As disorder is reduced the material undergoes structural and electronic transitions, which are discussed in Chapter 5. We obtain a number of characteristic attributes that change sharply at the structural and electronic transitions: localization length, dimensionality, and the nature of conductance. Structural transition is clearly seen in the changes in lattice vibrations tracked by Raman spectroscopy, which we use here as a metric of disorder. The significance of the disorder-induced localization transition is discussed. Next we investigate the effects of structural and electronic disorder on the bulk and surfaces in the crystalline state of Sb2Te3. The nontrivial topology of this strongly spin-orbit coupled material comes from the band inversion in the bulk. One of the key transport signatures of topological surfaces is weak antilocalization (WAL) correction to conductivity; it is associated with the topological pi Berry phase and should display a two-dimensional (2D) character. In our work, we establish the disorder level at which 2D WAL appears. The conduction at this threshold is one conduction quantum G0; it corresponds to the topological quantum channel. Finally, we summarize our key findings and discuss open questions and next steps toward the understanding of disorder-induced correlations in the spin and charge channels that can alter the emergent behaviors of the topological states.

Nonequilibrium Transport and the Bernoulli Effect of Electrons in a Two-Dimensional Electron Gas

NASA Astrophysics Data System (ADS)

Kaya, Ismet I.

2013-02-01

Nonequilibrium transport of charged carriers in a two-dimensional electron gas is summarized from an experimental point of view. The transport regime in which the electron-electron interactions are enhanced at high bias leads to a range of striking effects in a two-dimensional electron gas. This regime of transport is quite different than the ballistic transport in which particles propagate coherently with no intercarrier energy transfer and the diffusive transport in which the momentum of the electron system is lost with the involvement of the phonons. Quite a few hydrodynamic phenomena observed in classical gasses have the electrical analogs in the current flow. When intercarrier scattering events dominate the transport, the momentum sharing via narrow angle scattering among the hot and cold electrons lead to negative resistance and electron pumping which can be viewed as the analog of the Bernoulli-Venturi effect observed classical gasses. The recent experimental findings and the background work in the field are reviewed.

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.

PubMed

Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras; Coleman, Jonathan N; Strano, Michael S

2012-11-01

The remarkable properties of graphene have renewed interest in inorganic, two-dimensional materials with unique electronic and optical attributes. Transition metal dichalcogenides (TMDCs) are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into two-dimensional layers of single unit cell thickness. Although TMDCs have been studied for decades, recent advances in nanoscale materials characterization and device fabrication have opened up new opportunities for two-dimensional layers of thin TMDCs in nanoelectronics and optoelectronics. TMDCs such as MoS(2), MoSe(2), WS(2) and WSe(2) have sizable bandgaps that change from indirect to direct in single layers, allowing applications such as transistors, photodetectors and electroluminescent devices. We review the historical development of TMDCs, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.

Dynamic instabilities in strongly correlated VSe2 monolayers and bilayers

NASA Astrophysics Data System (ADS)

Esters, Marco; Hennig, Richard G.; Johnson, David C.

2017-12-01

With the emergence of graphene and other two-dimensional (2D) materials, transition-metal dichalcogenides have been investigated intensely as potential 2D materials using experimental and theoretical methods. VSe2 is an especially interesting material since its bulk modification exhibits a charge-density wave (CDW), the CDW is retained even for few-layer nanosheets, and monolayers of VSe2 are predicted to be ferromagnetic. In this work, we show that electron correlation has a profound effect on the magnetic properties and dynamic stability of VSe2 monolayers and bilayers. Including a Hubbard-U term in the density-functional-theory calculations strongly affects the magnetocrystalline anisotropy in the 1 T -VSe2 structure while leaving the 2 H -polytype virtually unchanged. This demonstrates the importance of electronic correlations for the electrical and magnetic properties of 1 T -VSe2 . The Hubbard-U term changes the dynamic stability and the presence of imaginary modes of ferromagnetic 1 T -VSe2 while affecting only the amplitudes in the nonmagnetic phase. The Fermi surface of nonmagnetic 1 T -VSe2 allows for nesting along the CDW vector, but it plays no role in ferromagnetic 1 T -VSe2 . Following the eigenvectors of the soft modes in nonmagnetic 1 T -VSe2 monolayers yields a CDW structure with a 4 ×4 supercell and Peierls-type distortion in the atomic positions and electronic structure. The magnetic order indicates the potential for spin-density-wave structures.

An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.

PubMed

Zhou, Shulan; Li, Zheng; Xie, Daiqian; Lin, Shi Ying; Guo, Hua

2009-05-14

A global potential-energy surface for the first excited electronic state of NH(2)(A(2)A(')) has been constructed by three-dimensional cubic spline interpolation of more than 20,000 ab initio points, which were calculated at the multireference configuration-interaction level with the Davidson correction using the augmented correlation-consistent polarized valence quadruple-zeta basis set. The (J=0) vibrational energy levels for the ground (X(2)A(")) and excited (A(2)A(')) electronic states of NH(2) were calculated on our potential-energy surfaces with the diagonal Renner-Teller terms. The results show a good agreement with the experimental vibrational frequencies of NH(2) and its isotopomers.

Overview of electron crystallography of membrane proteins: crystallization and screening strategies using negative stain electron microscopy.

PubMed

Nannenga, Brent L; Iadanza, Matthew G; Vollmar, Breanna S; Gonen, Tamir

2013-01-01

Electron cryomicroscopy, or cryoEM, is an emerging technique for studying the three-dimensional structures of proteins and large macromolecular machines. Electron crystallography is a branch of cryoEM in which structures of proteins can be studied at resolutions that rival those achieved by X-ray crystallography. Electron crystallography employs two-dimensional crystals of a membrane protein embedded within a lipid bilayer. The key to a successful electron crystallographic experiment is the crystallization, or reconstitution, of the protein of interest. This unit describes ways in which protein can be expressed, purified, and reconstituted into well-ordered two-dimensional crystals. A protocol is also provided for negative stain electron microscopy as a tool for screening crystallization trials. When large and well-ordered crystals are obtained, the structures of both protein and its surrounding membrane can be determined to atomic resolution.

Magnetically driven metal-insulator transition in NaOsO3

NASA Astrophysics Data System (ADS)

Calder, Stuart

2013-03-01

The metal-insulator transition (MIT) is one of the most dramatic manifestations of electron correlations in materials, enjoying interest both for its fundamental nature and technological application. Various mechanisms producing MITs have been extensively considered over the years, including the Mott (electron localization via Coulomb repulsion), Anderson (localization via disorder) and Peierls (localization via distortion of a periodic one-dimensional lattice). One additional route to a MIT proposed by Slater in 1951, in which long-range magnetic order in a three dimensional system drives the MIT, has received relatively little attention, particularly from an experimental viewpoint. Using neutron and x-ray scattering we have shown that the MIT in NaOsO3 is coincident with the onset of long-range commensurate magnetic order at 410 K. Whilst candidate materials have been suggested, our experimental methodology allows the first definitive demonstration of the long predicted Slater MIT. We discuss our results in light of recent work on other 5d systems that contrastingly have been predicted to host a Mott spin-orbit insulating state. Work was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE).

An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU

DOE PAGES

Lyakh, Dmitry I.

2015-01-05

An efficient parallel tensor transpose algorithm is suggested for shared-memory computing units, namely, multicore CPU, Intel Xeon Phi, and NVidia GPU. The algorithm operates on dense tensors (multidimensional arrays) and is based on the optimization of cache utilization on x86 CPU and the use of shared memory on NVidia GPU. From the applied side, the ultimate goal is to minimize the overhead encountered in the transformation of tensor contractions into matrix multiplications in computer implementations of advanced methods of quantum many-body theory (e.g., in electronic structure theory and nuclear physics). A particular accent is made on higher-dimensional tensors that typicallymore » appear in the so-called multireference correlated methods of electronic structure theory. Depending on tensor dimensionality, the presented optimized algorithms can achieve an order of magnitude speedup on x86 CPUs and 2-3 times speedup on NVidia Tesla K20X GPU with respect to the na ve scattering algorithm (no memory access optimization). Furthermore, the tensor transpose routines developed in this work have been incorporated into a general-purpose tensor algebra library (TAL-SH).« 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.

Fiber-based wearable electronics: a review of materials, fabrication, devices, and applications.

PubMed

Zeng, Wei; Shu, Lin; Li, Qiao; Chen, Song; Wang, Fei; Tao, Xiao-Ming

2014-08-20

Fiber-based structures are highly desirable for wearable electronics that are expected to be light-weight, long-lasting, flexible, and conformable. Many fibrous structures have been manufactured by well-established lost-effective textile processing technologies, normally at ambient conditions. The advancement of nanotechnology has made it feasible to build electronic devices directly on the surface or inside of single fibers, which have typical thickness of several to tens microns. However, imparting electronic functions to porous, highly deformable and three-dimensional fiber assemblies and maintaining them during wear represent great challenges from both views of fundamental understanding and practical implementation. This article attempts to critically review the current state-of-arts with respect to materials, fabrication techniques, and structural design of devices as well as applications of the fiber-based wearable electronic products. In addition, this review elaborates the performance requirements of the fiber-based wearable electronic products, especially regarding the correlation among materials, fiber/textile structures and electronic as well as mechanical functionalities of fiber-based electronic devices. Finally, discussions will be presented regarding to limitations of current materials, fabrication techniques, devices concerning manufacturability and performance as well as scientific understanding that must be improved prior to their wide adoption. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Two-dimensional electronic transport and surface electron accumulation in MoS2.

PubMed

Siao, M D; Shen, W C; Chen, R S; Chang, Z W; Shih, M C; Chiu, Y P; Cheng, C-M

2018-04-12

Because the surface-to-volume ratio of quasi-two-dimensional materials is extremely high, understanding their surface characteristics is crucial for practically controlling their intrinsic properties and fabricating p-type and n-type layered semiconductors. Van der Waals crystals are expected to have an inert surface because of the absence of dangling bonds. However, here we show that the surface of high-quality synthesized molybdenum disulfide (MoS 2 ) is a major n-doping source. The surface electron concentration of MoS 2 is nearly four orders of magnitude higher than that of its inner bulk. Substantial thickness-dependent conductivity in MoS 2 nanoflakes was observed. The transfer length method suggested the current transport in MoS 2 following a two-dimensional behavior rather than the conventional three-dimensional mode. Scanning tunneling microscopy and angle-resolved photoemission spectroscopy measurements confirmed the presence of surface electron accumulation in this layered material. Notably, the in situ-cleaved surface exhibited a nearly intrinsic state without electron accumulation.

The role of three-dimensional transport in driving enhanced electron acceleration during magnetic reconnection

NASA Astrophysics Data System (ADS)

Dahlin, J. T.; Drake, J. F.; Swisdak, M.

2017-09-01

Magnetic reconnection is an important driver of energetic particles in many astrophysical phenomena. Using kinetic particle-in-cell simulations, we explore the impact of three-dimensional reconnection dynamics on the efficiency of particle acceleration. In two-dimensional systems, Alfvénic outflows expel energetic electrons into flux ropes where they become trapped and disconnected from acceleration regions. However, in three-dimensional systems these flux ropes develop an axial structure that enables particles to leak out and return to acceleration regions. This requires a finite guide field so that particles may move quickly along the flux rope axis. We show that greatest energetic electron production occurs when the guide field is of the same order as the reconnecting component: large enough to facilitate strong transport, but not so large as to throttle the dominant Fermi mechanism responsible for efficient electron acceleration. This suggests a natural explanation for the envelope of electron acceleration during the impulsive phase of eruptive flares.

Patterned arrays of lateral heterojunctions within monolayer two-dimensional semiconductors

PubMed Central

Mahjouri-Samani, Masoud; Lin, Ming-Wei; Wang, Kai; Lupini, Andrew R.; Lee, Jaekwang; Basile, Leonardo; Boulesbaa, Abdelaziz; Rouleau, Christopher M.; Puretzky, Alexander A.; Ivanov, Ilia N.; Xiao, Kai; Yoon, Mina; Geohegan, David B.

2015-01-01

The formation of semiconductor heterojunctions and their high-density integration are foundations of modern electronics and optoelectronics. To enable two-dimensional crystalline semiconductors as building blocks in next-generation electronics, developing methods to deterministically form lateral heterojunctions is crucial. Here we demonstrate an approach for the formation of lithographically patterned arrays of lateral semiconducting heterojunctions within a single two-dimensional crystal. Electron beam lithography is used to pattern MoSe2 monolayer crystals with SiO2, and the exposed locations are selectively and totally converted to MoS2 using pulsed laser vaporization of sulfur to form MoSe2/MoS2 heterojunctions in predefined patterns. The junctions and conversion process are studied by Raman and photoluminescence spectroscopy, atomically resolved scanning transmission electron microscopy and device characterization. This demonstration of lateral heterojunction arrays within a monolayer crystal is an essential step for the integration of two-dimensional semiconductor building blocks with different electronic and optoelectronic properties for high-density, ultrathin devices. PMID:26198727

Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe 1-xSe x

DOE PAGES

Xu, Zhijun; Xu, Guangyong; Schneeloch, J. A.; ...

2016-03-14

Imore » t has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe 1 ₋ x Se x . We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. n conclusion, we also present powder neutron diffraction results for lattice parameters in FeTe 1 ₋ x Se x indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3d orbitals.« less

Two-dimensional vibrational-electronic spectroscopy

NASA Astrophysics Data System (ADS)

Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

2015-10-01

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

Two-dimensional vibrational-electronic spectroscopy.

PubMed

Courtney, Trevor L; Fox, Zachary W; Slenkamp, Karla M; Khalil, Munira

2015-10-21

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([Fe(III)(CN)6](3-) dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5Fe(II)CNRu(III)(NH3)5](-) dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

How to detect fluctuating stripes in the high-temperature superconductors

NASA Astrophysics Data System (ADS)

Kivelson, S. A.; Bindloss, I. P.; Fradkin, E.; Oganesyan, V.; Tranquada, J. M.; Kapitulnik, A.; Howald, C.

2003-10-01

This article discusses fluctuating order in a quantum disordered phase proximate to a quantum critical point, with particular emphasis on fluctuating stripe order. Optimal strategies are derived for extracting information concerning such local order from experiments, with emphasis on neutron scattering and scanning tunneling microscopy. These ideas are tested by application to two model systems—an exactly solvable one-dimensional (1D) electron gas with an impurity, and a weakly interacting 2D electron gas. Experiments on the cuprate high-temperature superconductors which can be analyzed using these strategies are extensively reviewed. The authors adduce evidence that stripe correlations are widespread in the cuprates. They compare and contrast the advantages of two limiting perspectives on the high-temperature superconductor: weak coupling, in which correlation effects are treated as a perturbation on an underlying metallic (although renormalized) Fermi-liquid state, and strong coupling, in which the magnetism is associated with well-defined localized spins, and stripes are viewed as a form of micro phase separation. The authors present quantitative indicators that the latter view better accounts for the observed stripe phenomena in the cuprates.

Duality of Weak and Strong Scatterer in Luttinger Liquid Coupled to Massless Bosons

NASA Astrophysics Data System (ADS)

Galda, Alexey; Yurkevich, Igor; Yevtushenko, Oleg; Lerner, Igor

2013-03-01

We study electronic transport in a Luttinger liquid (LL) with an embedded impurity, which is either a weak scatterer (WS) or a weak link (WL), when interacting electrons are coupled to one-dimensional massless bosons (e.g., acoustic phonons). The additional coupling competes with Coulomb interaction changing scaling exponents of various correlation functions. The impurity strength λ and the tunneling amplitude t in the WS and WL limits scale at low energies ɛ as: λ (ɛ) ~λ0ɛ Δws - 1 and t (ɛ) ~t0ɛ Δwl - 1 , correspondingly. We find that the duality relation between the scaling dimensions established for the standard LL, ΔwsΔwl = 1 , holds in the presence of the additional coupling for an arbitrary fixed strength of boson scattering from the impurity. As a result, at low temperatures the system remains either an ideal insulator or an ideal metal, regardless of the scattering strength. However, in the case when electron and boson scattering from the impurity are correlated, the system has a rich phase diagram that includes a metal-insulator transition at some intermediate values of the scattering. Leverhulme grant RPG-380, DFG through SFB TR-12, DoE Office of Science under the Contract No. DEAC02-06CH11357

Diverse protocols for correlative super-resolution fluorescence imaging and electron microscopy of chemically fixed samples

PubMed Central

Kopek, Benjamin G.; Paez-Segala, Maria G.; Shtengel, Gleb; Sochacki, Kem A.; Sun, Mei G.; Wang, Yalin; Xu, C. Shan; van Engelenburg, Schuyler B.; Taraska, Justin W.; Looger, Loren L.; Hess, Harald F.

2017-01-01

Our groups have recently developed related approaches for sample preparation for super-resolution imaging within endogenous cellular environments using correlative light and electron microscopy (CLEM). Four distinct techniques for preparing and acquiring super-resolution CLEM datasets on aldehyde-fixed specimens are provided, including Tokuyasu cryosectioning, whole-cell mount, cell unroofing and platinum replication, and resin embedding and sectioning. Choice of the best protocol for a given application depends on a number of criteria that are discussed in detail. Tokuyasu cryosectioning is relatively rapid but is limited to small, delicate specimens. Whole-cell mount has the simplest sample preparation but is restricted to surface structures. Cell unroofing and platinum replica creates high-contrast, 3-dimensional images of the cytoplasmic surface of the plasma membrane, but is more challenging than whole-cell mount. Resin embedding permits serial sectioning of large samples, but is limited to osmium-resistant probes, and is technically difficult. Expected results from these protocols include super-resolution localization (~10–50 nm) of fluorescent targets within the context of electron microscopy ultrastructure, which can help address cell biological questions. These protocols can be completed in 2–7 days, are compatible with a number of super-resolution imaging protocols, and are broadly applicable across biology. PMID:28384138

Emergent Phenomena at Mott Interfaces

DTIC Science & Technology

2016-11-03

from a two-dimensional electron gas at a Mott/band insulator interface, Applied Physics Letters, (10 2012): 151604. doi: 10.1063/1.4758989...coefficient of a quantum confined, high-electron-density electron gas in SrTiO3, Applied Physics Letters, (04 2012): 161601. doi: 10.1063...Jalan, Susanne Stemmer, Shawn Mack, S. James Allen. Two-dimensional electron gas in delta- doped SrTiO3, Physical Review B, (08 2010): . doi: A

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

NASA Astrophysics Data System (ADS)

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

2018-04-01

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three-dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb2 Pt2 Pb , a metal where itinerant electrons coexist with localized moments of Yb ions which can be described in terms of effective S =1 /2 spins with a dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the two interacting subsystems. We characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasilinear temperature dependence.

Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy

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

Enriquez, Miriam M.; Zhang, Cheng; Tan, Howe-Siang, E-mail: howesiang@ntu.edu.sg

2015-06-07

The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Q{sub y} band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysismore » of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240–270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet–singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.« less

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X˜ 1A1 and excited C˜ 1B2(21A') states of SO2

NASA Astrophysics Data System (ADS)

Kłos, Jacek; Alexander, Millard H.; Kumar, Praveen; Poirier, Bill; Jiang, Bin; Guo, Hua

2016-05-01

We report new and more accurate adiabatic potential energy surfaces (PESs) for the ground X˜ 1A1 and electronically excited C˜ 1B2(21A') states of the SO2 molecule. Ab initio points are calculated using the explicitly correlated internally contracted multi-reference configuration interaction (icMRCI-F12) method. A second less accurate PES for the ground X ˜ state is also calculated using an explicitly correlated single-reference coupled-cluster method with single, double, and non-iterative triple excitations [CCSD(T)-F12]. With these new three-dimensional PESs, we determine energies of the vibrational bound states and compare these values to existing literature data and experiment.

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

Ren, Xiaochen; Singh, Arunima K.; Fang, Lei

Impurity doping in two-dimensional (2D) materials can provide a route to tuning electronic properties, so it is important to be able to determine the distribution of dopant atoms within and between layers. Here we report the totnographic mapping of dopants in layered 2D materials with atomic sensitivity and subnanometer spatial resolution using atom, probe tomography (APT). Also, APT analysis shows that Ag dopes both Bi 2Se 3 and PbSe layers in (PbSe) 5(Bi 2Se 3) 3, and correlations :in the position of Ag atoms suggest a pairing across neighboring Bi 2Se 3 and PbSe layers. Finally, density functional theory (DFT)more » calculations confirm the favorability of substitutional-doping for both Pb and Bi and provide insights into the,observed spatial correlations in dopant locations.« less

Full-dimensional treatment of short-time vibronic dynamics in a molecular high-order-harmonic-generation process in methane

NASA Astrophysics Data System (ADS)

Patchkovskii, Serguei; Schuurman, Michael S.

2017-11-01

We present derivation and implementation of the multiconfigurational strong-field approximation with Gaussian nuclear wave packets (MC-SFA-GWP)—a version of the molecular strong-field approximation which treats all electronic and nuclear degrees of freedom, including their correlations, quantum mechanically. The technique allows realistic simulation of high-order-harmonic emission in polyatomic molecules without invoking reduced-dimensionality models for the nuclear motion or the electronic structure. We use MC-SFA-GWP to model isotope effects in high-order-harmonic-generation (HHG) spectroscopy of methane. The HHG emission in this molecule transiently involves the strongly vibronically coupled F22 electronic state of the CH4+ cation. We show that the isotopic HHG ratio in methane contains signatures of (a) field-free vibronic dynamics at the conical intersection (CI); (b) resonant features in the recombination cross sections; (c) laser-driven bound-state dynamics; as well as (d) the well-known short-time Gaussian decay of the emission. We assign the intrinsic vibronic feature (a) to a relatively long-lived (≥4 fs) vibronic wave packet of the singly excited ν4 (t2) and ν2 (e ) vibrational modes, strongly coupled to the components of the F22 electronic state. We demonstrate that these physical effects differ in their dependence on the wavelength, intensity, and duration of the driving pulse, allowing them to be disentangled. We thus show that HHG spectroscopy provides a versatile tool for exploring both conical intersections and resonant features in photorecombination matrix elements in the regime not easily accessible with other techniques.

Hot-electron thermocouple and the diffusion thermopower of two-dimensional electrons in GaAs.

PubMed

Chickering, W E; Eisenstein, J P; Reno, J L

2009-07-24

A simple hot-electron thermocouple is realized in a two-dimensional electron system (2DES) and used to measure the diffusion thermopower of the 2DES at zero magnetic field. This hot-electron technique, which requires no micron-scale patterning of the 2DES, is much less sensitive than conventional methods to phonon-drag effects. Our thermopower results are in good agreement with the Mott formula for diffusion thermopower for temperatures up to T approximately 2 K.

Absolute Negative Resistance Induced by Directional Electron-Electron Scattering in a Two-Dimensional Electron Gas

NASA Astrophysics Data System (ADS)

Kaya, Ismet I.; Eberl, Karl

2007-05-01

A three-terminal device formed by two electrostatic barriers crossing an asymmetrically patterned two-dimensional electron gas displays an unusual potential depression at the middle contact, yielding absolute negative resistance. The device displays momentum and current transfer ratios that far exceed unity. The observed reversal of the current or potential in the middle terminal can be interpreted as the analog of Bernoulli’s effect in a Fermi liquid. The results are explained by directional scattering of electrons in two dimensions.

New modes of electron microscopy for materials science enabled by fast direct electron detectors

NASA Astrophysics Data System (ADS)

Minor, Andrew

There is an ongoing revolution in the development of electron detector technology that has enabled modes of electron microscopy imaging that had only before been theorized. The age of electron microscopy as a tool for imaging is quickly giving way to a new frontier of multidimensional datasets to be mined. These improvements in electron detection have enabled cryo-electron microscopy to resolve the three-dimensional structures of non-crystalized proteins, revolutionizing structural biology. In the physical sciences direct electron detectors has enabled four-dimensional reciprocal space maps of materials at atomic resolution, providing all the structural information about nanoscale materials in one experiment. This talk will highlight the impact of direct electron detectors for materials science, including a new method of scanning nanobeam diffraction. With faster detectors we can take a series of 2D diffraction patterns at each position in a 2D STEM raster scan resulting in a four-dimensional data set. For thin film analysis, direct electron detectors hold the potential to enable strain, polarization, composition and electrical field mapping over relatively large fields of view, all from a single experiment.

A Novel Method for Profiling and Quantifying Short- and Medium-Chain Chlorinated Paraffins in Environmental Samples Using Comprehensive Two-Dimensional Gas Chromatography-Electron Capture Negative Ionization High-Resolution Time-of-Flight Mass Spectrometry.

PubMed

Xia, Dan; Gao, Lirong; Zheng, Minghui; Tian, Qichang; Huang, Huiting; Qiao, Lin

2016-07-19

Chlorinated paraffins (CPs) are complex technical mixtures containing thousands of isomers. Analyzing CPs in environmental matrices is extremely challenging. CPs have broad, unresolved profiles when analyzed by one-dimensional gas chromatography (GC). Comprehensive two-dimensional GC (GC×GC) can separate CPs with a high degree of orthogonality. A novel method for simultaneously profiling and quantifying short- and medium-chain CPs, using GC×GC coupled with electron capture negative ionization high-resolution time-of-flight mass spectrometry, was developed. The method allowed 48 CP formula congener groups to be analyzed highly selectively in one injection through accurate mass measurements of the [M - Cl](-) ions in full scan mode. The correlation coefficients (R(2)) for the linear calibration curves for different chlorine contents were 0.982 for short-chain CPs and 0.945 for medium-chain CPs. The method was successfully used to determine CPs in sediment and fish samples. By using this method, with enhanced chromatographic separation and high mass resolution, interferences between CP congeners and other organohalogen compounds, such as toxaphene, are minimized. New compounds, with the formulas C9H14Cl6 and C9H13Cl7, were found in sediment and biological samples for the first time. The method was shown to be a powerful tool for the analysis of CPs in environmental samples.

Perspective: Two-dimensional resonance Raman spectroscopy

NASA Astrophysics Data System (ADS)

Molesky, Brian P.; Guo, Zhenkun; Cheshire, Thomas P.; Moran, Andrew M.

2016-11-01

Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in complex systems. The 2DRR method can leverage electronic resonance enhancement to selectively probe chromophores embedded in complex environments (e.g., a cofactor in a protein). In addition, correlations between the two dimensions of the 2DRR spectrum reveal information that is not available in traditional Raman techniques. For example, distributions of reactant and product geometries can be correlated in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this perspective article, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide and myoglobin. We also address key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopies. Most notably, it has been shown that these two techniques are subject to a tradeoff between sensitivity to anharmonicity and susceptibility to artifacts. Overall, recent experimental developments and applications of the 2DRR method suggest great potential for the future of the technique.

Electrons in Flatland

NASA Astrophysics Data System (ADS)

MacDonald, Allan

2007-04-01

Like the classical squares and triangles in Edwin Abbott's 19th century social satire and science fiction novel Flatland, electrons and other quantum particles behave differently when confined to a two-dimensional world. Condensed matter physicists have been intrigued and regularly suprised by two-dimensional electron systems since they were first studied in semiconductor field-effect-transistor devices over forty years ago. I will discuss some important milestones in the study of two-dimensional electrn systems, from the discoveries of the integer and fractional quantum Hall effects in the 1980's to recent quantum Hall effect work on quasiparticles with non-Abelian quantum statistics. Special attention will be given to a new electronic Flatland that has risen to prominence recently, graphene, which consists of a single sheet of carbon atoms in a honeycomb lattice arrangement. Graphene provides a realization of two-dimensional massless Dirac fermions which interact via nearly instantaneous Coulomb interactions. Early research on graphene has demonstrated yet again that Flatland exceeds expectations.

Electron transport in the two-dimensional channel material - zinc oxide nanoflake

NASA Astrophysics Data System (ADS)

Lai, Jian-Jhong; Jian, Dunliang; Lin, Yen-Fu; Ku, Ming-Ming; Jian, Wen-Bin

2018-03-01

ZnO nanoflakes of 3-5 μm in lateral size and 15-20 nm in thickness are synthesized. The nanoflakes are used to make back-gated transistor devices. Electron transport in the ZnO nanoflake channel between source and drain electrodes are investigated. In the beginning, we argue and determine that electrons are in a two-dimensional system. We then apply Mott's two-dimensional variable range hopping model to analyze temperature and electric field dependences of resistivity. The disorder parameter, localization length, hopping distance, and hopping energy of the electron system in ZnO nanoflakes are obtained and, additionally, their temperature behaviors and dependences on room-temperature resistivity are presented. On the other hand, the basic transfer characteristics of the channel material are carried out, as well, and the carrier concentration, the mobility, and the Fermi wavelength of two-dimensional ZnO nanoflakes are estimated.

Low-resistance gateless high electron mobility transistors using three-dimensional inverted pyramidal AlGaN/GaN surfaces

NASA Astrophysics Data System (ADS)

So, Hongyun; Senesky, Debbie G.

2016-01-01

In this letter, three-dimensional gateless AlGaN/GaN high electron mobility transistors (HEMTs) were demonstrated with 54% reduction in electrical resistance and 73% increase in surface area compared with conventional gateless HEMTs on planar substrates. Inverted pyramidal AlGaN/GaN surfaces were microfabricated using potassium hydroxide etched silicon with exposed (111) surfaces and metal-organic chemical vapor deposition of coherent AlGaN/GaN thin films. In addition, electrical characterization of the devices showed that a combination of series and parallel connections of the highly conductive two-dimensional electron gas along the pyramidal geometry resulted in a significant reduction in electrical resistance at both room and high temperatures (up to 300 °C). This three-dimensional HEMT architecture can be leveraged to realize low-power and reliable power electronics, as well as harsh environment sensors with increased surface area.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Characteristics of alternating current hopping conductivity in DNA sequences

NASA Astrophysics Data System (ADS)

Ma, Song-Shan; Xu, Hui; Wang, Huan-You; Guo, Rui

2009-08-01

This paper presents a model to describe alternating current (AC) conductivity of DNA sequences, in which DNA is considered as a one-dimensional (1D) disordered system, and electrons transport via hopping between localized states. It finds that AC conductivity in DNA sequences increases as the frequency of the external electric field rises, and it takes the form of øac(ω) ~ ω2 ln2(1/ω). Also AC conductivity of DNA sequences increases with the increase of temperature, this phenomenon presents characteristics of weak temperature-dependence. Meanwhile, the AC conductivity in an off-diagonally correlated case is much larger than that in the uncorrelated case of the Anderson limit in low temperatures, which indicates that the off-diagonal correlations in DNA sequences have a great effect on the AC conductivity, while at high temperature the off-diagonal correlations no longer play a vital role in electric transport. In addition, the proportion of nucleotide pairs p also plays an important role in AC electron transport of DNA sequences. For p < 0.5, the conductivity of DNA sequence decreases with the increase of p, while for p >= 0.5, the conductivity increases with the increase of p.

Magnetic excitation spectra of strongly correlated quasi-one-dimensional systems: Heisenberg versus Hubbard-like behavior

DOE PAGES

Nocera, Alberto; Patel, Niravkumar D.; Fernandez-Baca, Jaime A.; ...

2016-11-28

In this paper, we study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small asmore » U/t ~ 2–3, although ratios of peak intensities at different momenta continue evolving with increasing U/t converging only slowly to the Heisenberg limit. Finally, we discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U/t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.« less

Magnetic excitation spectra of strongly correlated quasi-one-dimensional systems: Heisenberg versus Hubbard-like behavior

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

Nocera, Alberto; Patel, Niravkumar D.; Fernandez-Baca, Jaime A.

In this paper, we study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small asmore » U/t ~ 2–3, although ratios of peak intensities at different momenta continue evolving with increasing U/t converging only slowly to the Heisenberg limit. Finally, we discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U/t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.« less

Skin microrelief profiles as a cutaneous aging index.

PubMed

Kim, Dai Hyun; Rhyu, Yeon Seung; Ahn, Hyo Hyun; Hwang, Eenjun; Uhm, Chang Sub

2016-10-01

An objective measurement of cutaneous topographical information is important for quantifying the degree of skin aging. Our aim was to improve methods for measuring microrelief patterns using a three-dimensional analysis based on silicone replicas and scanning electron microscope (SEM). Another objective was to compare the results with those obtained using a two-dimensional analysis method based on dermoscopy. Silicone replicas were obtained from forearms, dorsum of the hands and fingers of 51 volunteers. Cutaneous profiles obtained by SEM with silicone replicas showed more consistent correlations with age than data obtained by dermoscopy. This indicates the advantage of three-dimensional topography analysis using silicone replicas and SEM over the widely used dermoscopic assessment. The cutaneous age was calculated using stepwise linear regression, and the result was 57.40-9.47 × (number of furrows on dorsum of the hand) × (width of furrows on dorsum of the hand). © The Author 2016. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A new method for mapping the three-dimensional atomic distribution within nanoparticles by atom probe tomography (APT).

PubMed

Kim, Se-Ho; Kang, Phil Woong; Park, O Ok; Seol, Jae-Bok; Ahn, Jae-Pyoung; Lee, Ji Yeong; Choi, Pyuck-Pa

2018-07-01

We present a new method of preparing needle-shaped specimens for atom probe tomography from freestanding Pd and C-supported Pt nanoparticles. The method consists of two steps, namely electrophoresis of nanoparticles on a flat Cu substrate followed by electrodeposition of a Ni film acting as an embedding matrix for the nanoparticles. Atom probe specimen preparation can be subsequently carried out by means of focused-ion-beam milling. Using this approach, we have been able to perform correlative atom probe tomography and transmission electron microscopy analyses on both nanoparticle systems. Reliable mass spectra and three-dimensional atom maps could be obtained for Pd nanoparticle specimens. In contrast, atom probe samples prepared from C-supported Pt nanoparticles showed uneven field evaporation and hence artifacts in the reconstructed atom maps. Our developed method is a viable means of mapping the three-dimensional atomic distribution within nanoparticles and is expected to contribute to an improved understanding of the structure-composition-property relationships of various nanoparticle systems. Copyright © 2018 Elsevier B.V. All rights reserved.

Observation of spinon spin currents in one-dimensional spin liquid

NASA Astrophysics Data System (ADS)

Hirobe, Daichi; Sato, Masahiro; Kawamata, Takayuki; Shiomi, Yuki; Uchida, Ken-Ichi; Iguchi, Ryo; Koike, Yoji; Maekawa, Sadamichi; Saitoh, Eiji

To date, two types of spin current have been explored experimentally: conduction-electron spin current and spin-wave spin current. Here, we newly present spinon spin current in quantum spin liquid. An archetype of quantum spin liquid is realized in one-dimensional spin-1/2 chains with the spins coupled via antiferromagnetic interaction. Elementary excitation in such a system is known as a spinon. Theories have predicted that the correlation of spinons reaches over a long distance. This suggests that spin current may propagate via one-dimensional spinons even in spin liquid states. In this talk, we report the experimental observation that a spin liquid in a spin-1/2 quantum chain generates and conveys spin current, which is attributed to spinon spin current. This is demonstrated by observing an anisotropic negative spin Seebeck effect along the spin chains in Sr2CuO3. The results show that spin current can flow via quantum fluctuation in spite of the absence of magnetic order, suggesting that a variety of quantum spin systems can be applied to spintronics. Spin Quantum Rectification Project, ERATO, JST, Japan; PRESTO, JST, Japan.

Topics in Chemical Instrumentation. The Fourier Transform in Chemistry-NMR: Part 4. Two-Dimensional Methods.

ERIC Educational Resources Information Center

Williams, Kathryn R.; King, Roy W.

1990-01-01

Examined are some of the types of two-dimensional spectra. Their application to nuclear magnetic resonance for the elucidation of molecular structure is discussed. Included are J spectroscopy, H-H correlation spectroscopy, heteronuclear correlation spectroscopy, carbon-carbon correlation, nuclear Overhauser effect correlation, experimental…

Electron trapping and transport by supersonic solitons in one-dimensional systems

NASA Technical Reports Server (NTRS)

Zmuidzinas, J. S.

1978-01-01

A one-dimensional chain of ions or molecules and electrons described by a Froehlich-type Hamiltonian with quartic phonon anharmonicities is investigated. It is shown that the anharmonic lattice supports supersonic solitons which under favorable circumstances may trap electrons and transport them along the lattice. For a lattice constant/soliton spatial extent quotient of the order of 0.1, rough estimates give electron trapping energies in the meV range. They imply a useful temperature range, up to tens of degrees K, for observing the new effect. The activation energy of a lattice soliton is proportional to the molecular mass and is therefore quite high (about 1 eV) for typical quasi-one-dimensional organic systems.

Effects of diffraction by ionospheric electron density irregularities on the range error in GNSS dual-frequency positioning and phase decorrelation

NASA Astrophysics Data System (ADS)

Gherm, Vadim E.; Zernov, Nikolay N.; Strangeways, Hal J.

2011-06-01

It can be important to determine the correlation of different frequency signals in L band that have followed transionospheric paths. In the future, both GPS and the new Galileo satellite system will broadcast three frequencies enabling more advanced three frequency correction schemes so that knowledge of correlations of different frequency pairs for scintillation conditions is desirable. Even at present, it would be helpful to know how dual-frequency Global Navigation Satellite Systems positioning can be affected by lack of correlation between the L1 and L2 signals. To treat this problem of signal correlation for the case of strong scintillation, a previously constructed simulator program, based on the hybrid method, has been further modified to simulate the fields for both frequencies on the ground, taking account of their cross correlation. Then, the errors in the two-frequency range finding method caused by scintillation have been estimated for particular ionospheric conditions and for a realistic fully three-dimensional model of the ionospheric turbulence. The results which are presented for five different frequency pairs (L1/L2, L1/L3, L1/L5, L2/L3, and L2/L5) show the dependence of diffractional errors on the scintillation index S4 and that the errors diverge from a linear relationship, the stronger are scintillation effects, and may reach up to ten centimeters, or more. The correlation of the phases at spaced frequencies has also been studied and found that the correlation coefficients for different pairs of frequencies depend on the procedure of phase retrieval, and reduce slowly as both the variance of the electron density fluctuations and cycle slips increase.

Integral formulae of the canonical correlation functions for the one dimensional transverse Ising model

NASA Astrophysics Data System (ADS)

Inoue, Makoto

2017-12-01

Some new formulae of the canonical correlation functions for the one dimensional quantum transverse Ising model are found by the ST-transformation method using a Morita's sum rule and its extensions for the two dimensional classical Ising model. As a consequence we obtain a time-independent term of the dynamical correlation functions. Differences of quantum version and classical version of these formulae are also discussed.

Phase-resolved two-dimensional terahertz spectroscopy - a probe of highly nonlinear light-matter interactions

NASA Astrophysics Data System (ADS)

Elsaesser, Thomas

Terahertz (THz) spectroscopy gives insight into low-frequency excitations and charge dynamics in condensed matter. So far, most experiments in a frequency range from 0.5 to 30 THz have focused on the linear THz response to determine linear absorption and disperion spectra, and/or electric conductivities. The generation of ultrashort THz transients with peak electric fields up to megavolts/cm has allowed for addressing nonlinear light-matter interactions and inducing excitations far from equilibrium. The novel method of two-dimensional THz (2D-THz) spectroscopy allows for mapping ultrafast dynamics and couplings of elementary excitations up to arbitrary nonlinear order in the electric field, both under resonant and nonresonant excitation conditions. In particular, different contributions to the overall nonlinear response are separated by dissecting it as a function of excitation and detection frequencies and for different waiting times after excitation. This talk gives an introduction in 2D-THz spectroscopy, including its recent extension to 3-pulse sequences and interaction schemes. To illustrate the potential of the method, recent results on two-phonon coherences and high-order interband excitations in the semiconductor InSb will be presented. Nonlinear THz excitation of two-phonon coherences exploits a resonance enhancement by the large electronic interband dipole of InSb and is, thus, far more efficient than linear excitation via resonant two-phonon absorption. As a second application, the nonlinear softmode response in a crystal consisting of aspirin molecules will be discussed. At moderate THz driving fields, the pronounced correlation of rotational modes of CH3 groups with collective oscillations of π-electrons drives the system into the regime of nonperturbative light-matter interaction. Nonlinear absorption around 1.1 THz leads to a blue-shifted coherent emission at 1.5 THz, revealing a dynamic breakup of the strong electron-phonon correlations.

Correlation between heavy-hole and light-hole Mahan Excitons in a two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Paul, J.; Dey, P.; Stevens, C. E.; Tokumoto, T.; Reno, J. L.; Hilton, D. J.; Karaiskaj, D.; D. J. Hilton Collaboration; J. L. Reno Collaboration

2015-03-01

We present the coherent two-dimensional Fourier transform (2DFT) spectra of Mahan Excitons associated with the heavy-hole and light-hole resonances observed in a modulation doped GaAs/AlGaAs single quantum well. These resonances are observed to be strongly coupled through many-body interactions. The 2DFT spectra were measured using co-linear, cross-linear, and co-circular polarizations and reveal striking differences. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NSF, Division of Materials Research under Grant Number: DMR-1409473.

Enhanced magneto-optical Kerr effect at Fe/insulator interfaces

NASA Astrophysics Data System (ADS)

Gu, Bo; Takahashi, Saburo; Maekawa, Sadamichi

2017-12-01

Using density functional theory calculations, we have found an enhanced magneto-optical Kerr effect in Fe/insulator interfaces. The results of our study indicate that interfacial Fe atoms in the Fe films have a low-dimensional nature, which causes the following two effects: (i) The diagonal component σx x of the optical conductivity decreases dramatically because the hopping integral for electrons between Fe atoms is suppressed by the low dimensionality. (ii) The off-diagonal component σx y of the optical conductivity does not change at low photon energies, but it is enhanced at photon energies around 2 eV, where we obtain enhanced orbital magnetic moments and spin-orbit correlations for the interfacial Fe atoms. A large Kerr angle develops in proportion to the ratio σx y/σx x . Our findings indicate an efficient way to enhance the effect of spin-orbit coupling at metal/insulator interfaces without using heavy elements.

Rich stochastic dynamics of co-doped Er:Yb fluorescence upconversion nanoparticles in the presence of thermal, non-conservative, harmonic and optical forces

NASA Astrophysics Data System (ADS)

Nome, Rene A.; Sorbello, Cecilia; Jobbágy, Matías; Barja, Beatriz C.; Sanches, Vitor; Cruz, Joyce S.; Aguiar, Vinicius F.

2017-03-01

The stochastic dynamics of individual co-doped Er:Yb upconversion nanoparticles (UCNP) were investigated from experiments and simulations. The UCNP were characterized by high-resolution scanning electron microscopy, dynamic light scattering, and zeta potential measurements. Single UCNP measurements were performed by fluorescence upconversion micro-spectroscopy and optical trapping. The mean-square displacement (MSD) from single UCNP exhibited a time-dependent diffusion coefficient which was compared with Brownian dynamics simulations of a viscoelastic model of harmonically bound spheres. Experimental time-dependent two-dimensional trajectories of individual UCNP revealed correlated two-dimensional nanoparticle motion. The measurements were compared with stochastic trajectories calculated in the presence of a non-conservative rotational force field. Overall, the complex interplay of UCNP adhesion, thermal fluctuations and optical forces led to a rich stochastic behavior of these nanoparticles.

Two-dimensional Fermi surfaces in Kondo insulating SmB6

NASA Astrophysics Data System (ADS)

Li, Gang

There has been renewed interest in Samarium Hexaboride, which is a strongly correlated heavy Fermion material. Hybridization between itinerant electrons and localized orbitals lead to an opening of charge gap at low temperature. However, the resistivity of SmB6 does not diverge at low temperature. Former studies suggested that this residual conductance is contributed by various origins. Recent theoretical developments suggest that the particular symmetry of energy bands of SmB6 may host a topologically non-trivial surface state, i.e., a topological Kondo insulator. To probe the Fermiology of the possible metallic surface state, we use sensitive torque magnetometry to detect the de Haas van Alphen (dHvA) effect due to Landau level quantization on flux-grown crystals, down to He-3 temperature and up to 45 Tesla. Our angular and temperature dependent data suggest two-dimensional Fermi Surfaces lie in both crystalline (001) and (101) surface planes of SmB6.

Single-Photon Emitters in Boron Nitride Nanococoons.

PubMed

Ziegler, Joshua; Blaikie, Andrew; Fathalizadeh, Aidin; Miller, David; Yasin, Fehmi S; Williams, Kerisha; Mohrhardt, Jordan; McMorran, Benjamin J; Zettl, Alex; Alemán, Benjamín

2018-04-11

Quantum emitters in two-dimensional hexagonal boron nitride (hBN) are attractive for a variety of quantum and photonic technologies because they combine ultra-bright, room-temperature single-photon emission with an atomically thin crystal. However, the emitter's prominence is hindered by large, strain-induced wavelength shifts. We report the discovery of a visible-wavelength, single-photon emitter (SPE) in a zero-dimensional boron nitride allotrope (the boron nitride nanococoon, BNNC) that retains the excellent optical characteristics of few-layer hBN while possessing an emission line variation that is lower by a factor of 5 than the hBN emitter. We determined the emission source to be the nanometer-size BNNC through the cross-correlation of optical confocal microscopy with high-resolution scanning and transmission electron microscopy. Altogether, this discovery enlivens color centers in BN materials and, because of the BN nanococoon's size, opens new and exciting opportunities in nanophotonics, quantum information, biological imaging, and nanoscale sensing.

Optimization of the segmented method for optical compression and multiplexing system

NASA Astrophysics Data System (ADS)

Al Falou, Ayman

2002-05-01

Because of the constant increasing demands of images exchange, and despite the ever increasing bandwidth of the networks, compression and multiplexing of images is becoming inseparable from their generation and display. For high resolution real time motion pictures, electronic performing of compression requires complex and time-consuming processing units. On the contrary, by its inherent bi-dimensional character, coherent optics is well fitted to perform such processes that are basically bi-dimensional data handling in the Fourier domain. Additionally, the main limiting factor that was the maximum frame rate is vanishing because of the recent improvement of spatial light modulator technology. The purpose of this communication is to benefit from recent optical correlation algorithms. The segmented filtering used to store multi-references in a given space bandwidth product optical filter can be applied to networks to compress and multiplex images in a given bandwidth channel.

Suppressing Klein tunneling in graphene using a one-dimensional array of localized scatterers.

PubMed

Walls, Jamie D; Hadad, Daniel

2015-02-13

Graphene's unique physical and chemical properties make it an attractive platform for use in micro- and nanoelectronic devices. However, electrostatically controlling the flow of electrons in graphene can be challenging as a result of Klein tunneling, where electrons normally incident to a one-dimensional potential barrier of height V are perfectly transmitted even as V → ∞. In this study, theoretical and numerical calculations predict that the transmission probability for an electron wave normally incident to a one-dimensional array of localized scatterers can be significantly less than unity when the electron wavelength is smaller than the spacing between scatterers. In effect, placing periodic openings throughout a potential barrier can, somewhat counterintuitively, decrease transmission in graphene. Our results suggest that electrostatic potentials with spatial variations on the order of the electron wavelength can suppress Klein tunneling and could find applications in developing graphene electronic devices.

Joint Services Electronics Program.

DTIC Science & Technology

1987-04-30

the specific objectives and progress in each work unit are reported. The focus of the JSEP project on transport properties of 1- dimensional...path. The properties of carrier transport and storage in various regions of these ultra-small, 3- dimensionally confined structures are not well...capabilities of MBE to grow and investigate the transport in these materials. SUMMARY OF RESEARCH: 1. One Dimensional Electron Transport One of the major goals

Three-Dimensional Electron Optics Model Developed for Traveling-Wave Tubes

NASA Technical Reports Server (NTRS)

Kory, Carol L.

2000-01-01

A three-dimensional traveling-wave tube (TWT) electron beam optics model including periodic permanent magnet (PPM) focusing has been developed at the NASA Glenn Research Center at Lewis Field. This accurate model allows a TWT designer to develop a focusing structure while reducing the expensive and time-consuming task of building the TWT and hot-testing it (with the electron beam). In addition, the model allows, for the first time, an investigation of the effect on TWT operation of the important azimuthally asymmetric features of the focusing stack. The TWT is a vacuum device that amplifies signals by transferring energy from an electron beam to a radiofrequency (RF) signal. A critically important component is the focusing structure, which keeps the electron beam from diverging and intercepting the RF slow wave circuit. Such an interception can result in excessive circuit heating and decreased efficiency, whereas excessive growth in the beam diameter can lead to backward wave oscillations and premature saturation, indicating a serious reduction in tube performance. The most commonly used focusing structure is the PPM stack, which consists of a sequence of cylindrical iron pole pieces and opposite-polarity magnets. Typically, two-dimensional electron optics codes are used in the design of magnetic focusing devices. In general, these codes track the beam from the gun downstream by solving equations of motion for the electron beam in static-electric and magnetic fields in an azimuthally symmetric structure. Because these two-dimensional codes cannot adequately simulate a number of important effects, the simulation code MAFIA (solution of Maxwell's equations by the Finite-Integration-Algorithm) was used at Glenn to develop a three-dimensional electron optics model. First, a PPM stack was modeled in three dimensions. Then, the fields obtained using the magnetostatic solver were loaded into a particle-in-cell solver where the fully three-dimensional behavior of the beam was simulated in the magnetic focusing field. For the first time, the effects of azimuthally asymmetric designs and critical azimuthally asymmetric characteristics of the focusing stack (such as shunts, C-magnets, or magnet misalignment) on electron beam behavior have been investigated. A cutaway portion of a simulated electron beam focused by a PPM stack is illustrated.

The relationship of acquisition systems to automated stereo correlation.

USGS Publications Warehouse

Colvocoresses, A.P.

1983-01-01

Today a concerted effort is being made to expedite the mapping process through automated correlation of stereo data. Stereo correlation involves the comparison of radiance (brightness) signals or patterns recorded by sensors. Conventionally, two-dimensional area correlation is utilized but this is a rather slow and cumbersome procedure. Digital correlation can be performed in only one dimension where suitable signal patterns exist, and the one-dimensional mode is much faster. Electro-optical (EO) systems, suitable for space use, also have much greater flexibility than film systems. Thus, an EO space system can be designed which will optimize one-dimensional stereo correlation and lead toward the automation of topographic mapping.-from Author

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

DOE PAGES

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

2018-04-10

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb 2Pt 2Pb, a metal where itinerant electrons coexist with localized moments of Yb-ions which can be described in terms of effective S = 1/2 spins with dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the twomore » interacting subsystems. Lastly, we characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasi linear temperature dependence.« less

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

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

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb 2Pt 2Pb, a metal where itinerant electrons coexist with localized moments of Yb-ions which can be described in terms of effective S = 1/2 spins with dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the twomore » interacting subsystems. Lastly, we characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasi linear temperature dependence.« less

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.

Matrix-product-state method with local basis optimization for nonequilibrium electron-phonon systems

NASA Astrophysics Data System (ADS)

Heidrich-Meisner, Fabian; Brockt, Christoph; Dorfner, Florian; Vidmar, Lev; Jeckelmann, Eric

We present a method for simulating the time evolution of quasi-one-dimensional correlated systems with strongly fluctuating bosonic degrees of freedom (e.g., phonons) using matrix product states. For this purpose we combine the time-evolving block decimation (TEBD) algorithm with a local basis optimization (LBO) approach. We discuss the performance of our approach in comparison to TEBD with a bare boson basis, exact diagonalization, and diagonalization in a limited functional space. TEBD with LBO can reduce the computational cost by orders of magnitude when boson fluctuations are large and thus it allows one to investigate problems that are out of reach of other approaches. First, we test our method on the non-equilibrium dynamics of a Holstein polaron and show that it allows us to study the regime of strong electron-phonon coupling. Second, the method is applied to the scattering of an electronic wave packet off a region with electron-phonon coupling. Our study reveals a rich physics including transient self-trapping and dissipation. Supported by Deutsche Forschungsgemeinschaft (DFG) via FOR 1807.

First principles study of NH3 adsorption on carbon nanowires

NASA Astrophysics Data System (ADS)

Tapia, Jorge-Alejandro; Sanchez, Alvaro-Daniel; Acosta, Cesar; Canto, Gabriel

2009-03-01

Recently has been reported a new type of one-dimensional carbon structures. Carbon nanowires formed by a linear carbon-atom chain inside an armchair (5,5) carbon nanotube has been observed using high-resolution transmission electron microscopy. Theoretical and experimental studies of the NH3 adsorption in the carbon nanotubes report changes in the electronic properties of the carbon nanotubes. In the present work we have studied the electronic and structure properties of carbon nanowires (chain@SWCNT) when NH3 atoms are adsorbed. We used the Density Functional Theory and the calculations where performed by the pseudopotentials LCAO method (SIESTA code) and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We have analyzed the changes in the atomic structure and density of states (DOS). We found that the electronic character of the carbon chain of the chain@SWCNT system, can be modulate by NH3 adsorption. This research was supported by SEP under Grant No. PROMEP/103.5/07/2595 and the Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grants No. 82497 and 60534.

Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH3F-H2

NASA Astrophysics Data System (ADS)

Zhang, Xiao-Long; Ma, Yong-Tao; Zhai, Yu; Li, Hui

2018-03-01

A first effective six-dimensional ab initio potential energy surface (PES) for CH3F-H2 which explicitly includes the intramolecular Q3 stretching normal mode of the CH3F monomer is presented. The electronic structure computations have been carried out at the explicitly correlated coupled cluster level of theory [CCSD(T)-F12a] with an augmented correlation-consistent triple zeta basis set. Five-dimensional analytical intermolecular PESs for ν3(CH3F) = 0 and 1 are then obtained by fitting the vibrationally averaged potentials to the Morse/Long-Range (MLR) potential function form. The MLR function form is applied to the nonlinear molecule-linear molecule case for the first time. These fits to 25 015 points have root-mean-square deviations of 0.74 cm-1 and 0.082 cm-1 for interaction energies less than 0.0 cm-1. Using the adiabatic hindered-rotor approximation, three-dimensional PESs for CH3F-paraH2 are generated from the 5D PESs over all possible orientations of the hydrogen monomer. The infrared and microwave spectra for CH3F-paraH2 dimer are predicted for the first time. These analytic PESs can be used for modeling the dynamical behavior in CH3F-(H2)N clusters, including the possible appearance of microscopic superfluidity.

Evolution and Control of 2219 Aluminum Microstructural Features through Electron Beam Freeform Fabrication

NASA Technical Reports Server (NTRS)

Taminger, Karen M.; Hafley, Robert A.; Domack, Marcia S.

2006-01-01

Electron beam freeform fabrication (EBF3) is a new layer-additive process that has been developed for near-net shape fabrication of complex structures. EBF3 uses an electron beam to create a molten pool on the surface of a substrate. Wire is fed into the molten pool and the part translated with respect to the beam to build up a 3-dimensional structure one layer at a time. Unlike many other freeform fabrication processes, the energy coupling of the electron beam is extremely well suited to processing of aluminum alloys. The layer-additive nature of the EBF3 process results in a tortuous thermal path producing complex microstructures including: small homogeneous equiaxed grains; dendritic growth contained within larger grains; and/or pervasive dendritic formation in the interpass regions of the deposits. Several process control variables contribute to the formation of these different microstructures, including translation speed, wire feed rate, beam current and accelerating voltage. In electron beam processing, higher accelerating voltages embed the energy deeper below the surface of the substrate. Two EBF3 systems have been established at NASA Langley, one with a low-voltage (10-30kV) and the other a high-voltage (30-60 kV) electron beam gun. Aluminum alloy 2219 was processed over a range of different variables to explore the design space and correlate the resultant microstructures with the processing parameters. This report is specifically exploring the impact of accelerating voltage. Of particular interest is correlating energy to the resultant material characteristics to determine the potential of achieving microstructural control through precise management of the heat flux and cooling rates during deposition.

Gutzwiller wave-function solution for Anderson lattice model: Emerging universal regimes of heavy quasiparticle states

NASA Astrophysics Data System (ADS)

Wysokiński, Marcin M.; Kaczmarczyk, Jan; Spałek, Jozef

2015-09-01

The recently proposed diagrammatic expansion (DE) technique for the full Gutzwiller wave function (GWF) is applied to the Anderson lattice model. This approach allows for a systematic evaluation of the expectation values with full Gutzwiller wave function in finite-dimensional systems. It introduces results extending in an essential manner those obtained by means of the standard Gutzwiller approximation (GA), which is variationally exact only in infinite dimensions. Within the DE-GWF approach we discuss the principal paramagnetic properties and their relevance to heavy-fermion systems. We demonstrate the formation of an effective, narrow f band originating from atomic f -electron states and subsequently interpret this behavior as a direct itineracy of f electrons; it represents a combined effect of both the hybridization and the correlations induced by the Coulomb repulsive interaction. Such a feature is absent on the level of GA, which is equivalent to the zeroth order of our expansion. Formation of the hybridization- and electron-concentration-dependent narrow f band rationalizes the common assumption of such dispersion of f levels in the phenomenological modeling of the band structure of CeCoIn5. Moreover, it is shown that the emerging f -electron direct itineracy leads in a natural manner to three physically distinct regimes within a single model that are frequently discussed for 4 f - or 5 f -electron compounds as separate model situations. We identify these regimes as (i) the mixed-valence regime, (ii) Kondo/almost-Kondo insulating regime, and (iii) the Kondo-lattice limit when the f -electron occupancy is very close to the f -state half filling, →1 . The nonstandard features of the emerging correlated quantum liquid state are stressed.

Non-classical photon correlation in a two-dimensional photonic lattice.

PubMed

Gao, Jun; Qiao, Lu-Feng; Lin, Xiao-Feng; Jiao, Zhi-Qiang; Feng, Zhen; Zhou, Zheng; Gao, Zhen-Wei; Xu, Xiao-Yun; Chen, Yuan; Tang, Hao; Jin, Xian-Min

2016-06-13

Quantum interference and quantum correlation, as two main features of quantum optics, play an essential role in quantum information applications, such as multi-particle quantum walk and boson sampling. While many experimental demonstrations have been done in one-dimensional waveguide arrays, it remains unexplored in higher dimensions due to tight requirement of manipulating and detecting photons in large-scale. Here, we experimentally observe non-classical correlation of two identical photons in a fully coupled two-dimensional structure, i.e. photonic lattice manufactured by three-dimensional femtosecond laser writing. Photon interference consists of 36 Hong-Ou-Mandel interference and 9 bunching. The overlap between measured and simulated distribution is up to 0.890 ± 0.001. Clear photon correlation is observed in the two-dimensional photonic lattice. Combining with controllably engineered disorder, our results open new perspectives towards large-scale implementation of quantum simulation on integrated photonic chips.

Quantum stream instability in coupled two-dimensional plasmas

NASA Astrophysics Data System (ADS)

Akbari-Moghanjoughi, M.

2014-08-01

In this paper the quantum counter-streaming instability problem is studied in planar two-dimensional (2D) quantum plasmas using the coupled quantum hydrodynamic (CQHD) model which incorporates the most important quantum features such as the statistical Fermi-Dirac electron pressure, the electron-exchange potential and the quantum diffraction effect. The instability is investigated for different 2D quantum electron systems using the dynamics of Coulomb-coupled carriers on each plasma sheet when these plasmas are both monolayer doped graphene or metalfilm (corresponding to 2D Dirac or Fermi electron fluids). It is revealed that there are fundamental differences between these two cases regarding the effects of Bohm's quantum potential and the electron-exchange on the instability criteria. These differences mark yet another interesting feature of the effect of the energy band dispersion of Dirac electrons in graphene. Moreover, the effects of plasma number-density and coupling parameter on the instability criteria are shown to be significant. This study is most relevant to low dimensional graphene-based field-effect-transistor (FET) devices. The current study helps in understanding the collective interactions of the low-dimensional coupled ballistic conductors and the nanofabrication of future graphene-based integrated circuits.

Future of Electron Scattering and Diffraction

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

Hall, Ernest; Stemmer, Susanne; Zheng, Haimei

2014-02-25

The ability to correlate the atomic- and nanoscale-structure of condensed matter with physical properties (e.g., mechanical, electrical, catalytic, and optical) and functionality forms the core of many disciplines. Directing and controlling materials at the quantum-, atomic-, and molecular-levels creates enormous challenges and opportunities across a wide spectrum of critical technologies, including those involving the generation and use of energy. The workshop identified next generation electron scattering and diffraction instruments that are uniquely positioned to address these grand challenges. The workshop participants identified four key areas where the next generation of such instrumentation would have major impact: A – Multidimensional Visualizationmore » of Real Materials B – Atomic-scale Molecular Processes C – Photonic Control of Emergence in Quantum Materials D – Evolving Interfaces, Nucleation, and Mass Transport Real materials are comprised of complex three-dimensional arrangements of atoms and defects that directly determine their potential for energy applications. Understanding real materials requires new capabilities for three-dimensional atomic scale tomography and spectroscopy of atomic and electronic structures with unprecedented sensitivity, and with simultaneous spatial and energy resolution. Many molecules are able to selectively and efficiently convert sunlight into other forms of energy, like heat and electric current, or store it in altered chemical bonds. Understanding and controlling such process at the atomic scale require unprecedented time resolution. One of the grand challenges in condensed matter physics is to understand, and ultimately control, emergent phenomena in novel quantum materials that necessitate developing a new generation of instruments that probe the interplay among spin, charge, orbital, and lattice degrees of freedom with intrinsic time- and length-scale resolutions. Molecules and soft matter require imaging and spectroscopy with high spatial resolution without damaging their structure. The strong interaction of electrons with matter allows high-energy electron pulses to gather structural information before a sample is damaged. Electron ScatteringImaging, diffraction, and spectroscopy are the fundamental capabilities of electron-scattering instruments. The DOE BES-funded TEAM (Transmission Electron Aberration-corrected Microscope) project achieved unprecedented sub-atomic spatial resolution in imaging through aberration-corrected transmission electron microscopy. To further advance electron scattering techniques that directly enable groundbreaking science, instrumentation must advance beyond traditional two-dimensional imaging. Advances in temporal resolution, recording the full phase and energy spaces, and improved spatial resolution constitute a new frontier in electron microscopy, and will directly address the BES Grand Challenges, such as to “control the emergent properties that arise from the complex correlations of atomic and electronic constituents” and the “hidden states” “very far away from equilibrium”. Ultrafast methods, such as the pump-probe approach, enable pathways toward understanding, and ultimately controlling, the chemical dynamics of molecular systems and the evolution of complexity in mesoscale and nanoscale systems. Central to understanding how to synthesize and exploit functional materials is having the ability to apply external stimuli (such as heat, light, a reactive flux, and an electrical bias) and to observe the resulting dynamic process in situ and in operando, and under the appropriate environment (e.g., not limited to UHV conditions). To enable revolutionary advances in electron scattering and science, the participants of the workshop recommended three major new instrumental developments: A. Atomic-Resolution Multi-Dimensional Transmission Electron Microscope: This instrument would provide quantitative information over the entire real space, momentum space, and energy space for visualizing dopants, interstitials, and light elements; for imaging localized vibrational modes and the motion of charged particles and vacancies; for correlating lattice, spin, orbital, and charge; and for determining the structure and molecular chemistry of organic and soft matter. The instrument will be uniquely suited to answer fundamental questions in condensed matter physics that require understanding the physical and electronic structure at the atomic scale. Key developments include stable cryogenic capabilities that will allow access to emergent electronic phases, as well as hard/soft interfaces and radiation- sensitive materials. B. Ultrafast Electron Diffraction and Microscopy Instrument: This instrument would be capable of nano-diffraction with 10 fs temporal resolution in stroboscopic mode, and better than 100 fs temporal resolution in single shot mode. The instrument would also achieve single- shot real-space imaging with a spatial/temporal resolution of 10 nm/10 ps, representing a thousand fold improvement over current microscopes. Such a capability would be complementary to x-ray free electron lasers due to the difference in the nature of electron and x-ray scattering, enabling space-time mapping of lattice vibrations and energy transport, facilitating the understanding of molecular dynamics of chemical reactions, the photonic control of emergence in quantum materials, and the dynamics of mesoscopic materials. C. Lab-In-Gap Dynamic Microscope: This instrument would enable quantitative measurements of materials structure, composition, and bonding evolution in technologically relevant environments, including liquids, gases and plasmas, thereby assuring the understanding of structure function relationship at the atomic scale with up to nanosecond temporal resolution. This instrument would employ a versatile, modular sample stage and holder geometry to allow the multi-modal (e.g., optical, thermal, mechanical, electrical, and electrochemical) probing of materials’ functionality in situ and in operando. The electron optics encompasses a pole piece that can accommodate the new stage, differential pumping, detectors, aberration correctors, and other electron optical elements for measurement of materials dynamics. To realize the proposed instruments in a timely fashion, BES should aggressively support research and development of complementary and enabling instruments, including new electron sources, advanced electron optics, new tunable specimen pumps and sample stages, and new detectors. The proposed instruments would have transformative impact on physics, chemistry, materials science, engineering« less

Three-dimensional modeling of electron quasiviscous dissipation in guide-field magnetic reconnection

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

Hesse, Michael; Kuznetsova, Masha; Schindler, Karl

2005-10-01

A numerical study of guide-field magnetic reconnection in a three-dimensional model is presented. Starting from an initial, perturbed, force-free current sheet, it is shown that reconnection develops to an almost translationally invariant state, where magnetic perturbations are aligned primarily along the main current flow direction. An analysis of guide-field and electron flow signatures indicates behavior that is very similar to earlier, albeit not three-dimensional, simulations. Furthermore, a detailed investigation of electron pressure nongyrotropies in the central diffusion region confirms the major role the associated dissipation process plays in establishing the reconnection electric field.

Investigations of photosynthetic light harvesting by two-dimensional electronic spectroscopy

NASA Astrophysics Data System (ADS)

Read, Elizabeth Louise

Photosynthesis begins with the harvesting of sunlight by antenna pigments, organized in a network of pigment-protein complexes that rapidly funnel energy to photochemical reaction centers. The intricate design of these systems---the widely varying structural motifs of pigment organization within proteins and protein organization within a larger, cooperative network---underlies the remarkable speed and efficiency of light harvesting. Advances in femtosecond laser spectroscopy have enabled researchers to follow light energy on its course through the energetic levels of photosynthetic systems. Now, newly-developed femtosecond two-dimensional electronic spectroscopy reveals deeper insight into the fundamental molecular interactions and dynamics that emerge in these structures. The following chapters present investigations of a number of natural light-harvesting complexes using two-dimensional electronic spectroscopy. These studies demonstrate the various types of information contained in experimental two-dimensional spectra, and they show that the technique makes it possible to probe pigment-protein complexes on the length- and time-scales relevant to their functioning. New methods are described that further extend the capabilities of two-dimensional electronic spectroscopy, for example, by independently controlling the excitation laser pulse polarizations. The experiments, coupled with theoretical simulation, elucidate spatial pathways of energy flow, unravel molecular and electronic structures, and point to potential new quantum mechanical mechanisms of light harvesting.

Cross-Correlation for Automated Stitching of Two-Dimensional Multi-Tile Electron Backscatter Diffraction Data (Preprint)

DTIC Science & Technology

2012-08-01

270 350x 650 (25, 26) 2 20 Ni-15Al- 5Cr+C,B,Zr 187 x 187 500x 44 ( 4 , 11) 0.5 40 A. Coarse grain, single phase α- titanium The coarse grained... titanium alloy serves as an instructive example because, as evident in Figure 4 (a), only one triple point and one grain boundary appear in the search...wpafb.af.mil Figure 4 . Crystal orientation maps for the first (left) and second (current) tiles of (a) coarse grained α- Titanium , (b) a 2x2 array of a

Ultrafast relaxation dynamics of nitric oxide synthase studied by visible broadband transient absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hung, Chih-Chang; Yabushita, Atsushi; Kobayashi, Takayoshi; Chen, Pei-Feng; Liang, Keng S.

2017-09-01

Ultrafast dynamics of endothelial nitric oxide synthase (eNOS) oxygenase domain was studied by transient absorption spectroscopy pumping at Soret band. The broadband visible probe spectrum has visualized the relaxation dynamics from the Soret band to Q-band and charge transfer (CT) band. Supported by two-dimensional correlation spectroscopy, global fitting analysis has successfully concluded the relaxation dynamics from the Soret band to be (1) electronic transition to Q-band (0.16 ps), (2) ligand dissociation and CT (0.94 ps), (3) relaxation of the CT state (4.0 ps), and (4) ligand rebinding (59 ps).

Branched flow and caustics in random media with magnetic fields

NASA Astrophysics Data System (ADS)

Metzger, Jakob; Fleischmann, Ragnar; Geisel, Theo

2009-03-01

Classical particles as well as quantum mechanical waves exhibit complex behaviour when propagating through random media. One of the dominant features of the dynamics in correlated, weak disorder potentials is the branching of the flow. This can be observed in several physical systems, most notably in the electron flow in two-dimensional electron gases [1], and has also been used to describe the formation of freak waves [2]. We present advances in the theoretical understanding and numerical simulation of classical branched flows in magnetic fields. In particular, we study branching statistics and branch density profiles. Our results have direct consequences for experiments which measure transport properties in electronic systems [3].[1] e.g. M. A. Topinka et al., Nature 410, 183 (2001), M. P. Jura et al., Nature Physics 3, 841 (2007)[2] E. J. Heller, L. Kaplan and A. Dahlen, J. Geophys. Res., 113, C09023 (2008)[3] J. J. Metzger, R. Fleischmann and T. Geisel, in preparation

High-density two-dimensional electron system induced by oxygen vacancies in ZnO

NASA Astrophysics Data System (ADS)

Rödel, T. C.; Dai, J.; Fortuna, F.; Frantzeskakis, E.; Le Fèvre, P.; Bertran, F.; Kobayashi, M.; Yukawa, R.; Mitsuhashi, T.; Kitamura, M.; Horiba, K.; Kumigashira, H.; Santander-Syro, A. F.

2018-05-01

We realize a two-dimensional electron system (2DES) in ZnO by simply depositing pure aluminum on its surface in ultrahigh vacuum and characterize its electronic structure by using angle-resolved photoemission spectroscopy. The aluminum oxidizes into alumina by creating oxygen vacancies that dope the bulk conduction band of ZnO and confine the electrons near its surface. The electron density of the 2DES is up to two orders of magnitude higher than those obtained in ZnO heterostructures. The 2DES shows two s -type subbands, that we compare with the d -like 2DESs in titanates, with clear signatures of many-body interactions that we analyze through a self-consistent extraction of the system self-energy and a modeling as a coupling of a two-dimensional Fermi liquid with a Debye distribution of phonons.

Three-dimensional reconstruction of the giant mimivirus particle with an x-ray free-electron laser.

PubMed

Ekeberg, Tomas; Svenda, Martin; Abergel, Chantal; Maia, Filipe R N C; Seltzer, Virginie; Claverie, Jean-Michel; Hantke, Max; Jönsson, Olof; Nettelblad, Carl; van der Schot, Gijs; Liang, Mengning; DePonte, Daniel P; Barty, Anton; Seibert, M Marvin; Iwan, Bianca; Andersson, Inger; Loh, N Duane; Martin, Andrew V; Chapman, Henry; Bostedt, Christoph; Bozek, John D; Ferguson, Ken R; Krzywinski, Jacek; Epp, Sascha W; Rolles, Daniel; Rudenko, Artem; Hartmann, Robert; Kimmel, Nils; Hajdu, Janos

2015-03-06

We present a proof-of-concept three-dimensional reconstruction of the giant mimivirus particle from experimentally measured diffraction patterns from an x-ray free-electron laser. Three-dimensional imaging requires the assembly of many two-dimensional patterns into an internally consistent Fourier volume. Since each particle is randomly oriented when exposed to the x-ray pulse, relative orientations have to be retrieved from the diffraction data alone. We achieve this with a modified version of the expand, maximize and compress algorithm and validate our result using new methods.

Growth of low disorder GaAs/AlGaAs heterostructures by molecular beam epitaxy for the study of correlated electron phases in two dimensions

NASA Astrophysics Data System (ADS)

Watson, John D.

The unparalleled quality of GaAs/AlGaAs heterostructures grown by molecular beam epitaxy has enabled a wide range of experiments probing interaction effects in two-dimensional electron and hole gases. This dissertation presents work aimed at further understanding the key material-related issues currently limiting the quality of these 2D systems, particularly in relation to the fractional quantum Hall effect in the 2nd Landau level and spin-based implementations of quantum computation. The manuscript begins with a theoretical introduction to the quantum Hall effect which outlines the experimental conditions necessary to study the physics of interest and motivates the use of the semiconductor growth and cryogenic measurement techniques outlined in chapters 2 and 3, respectively. In addition to a generic introduction to the molecular beam epitaxy growth technique, chapter 2 summarizes some of what was learned about the material purity issues currently limiting the low temperature electron mobility. Finally, a series of appendices are included which detail the experimental methods used over the course of the research. Chapter 4 presents an experiment examining transport in a low density two-dimensional hole system in which the hole density could be varied by means of an evaporated back gate. At low temperature, the mobility reached a maximum of 2.6 x 106 cm2/Vs at a density of 6.2 x 1010 cm-2 which is the highest reported mobility in a two-dimensional hole system to date. In addition, it was found that the mobility as a function of density did not follow a power law with a single exponent. Instead, it was found that the power law varied with density, indicating a cross-over between dominant scattering mechanisms at low density and high density. At low density the mobility was found to be limited by remote ionized impurity scattering, while at high density the dominant scattering mechanism was found to be background impurity scattering. Chapter 5 details an experiment examining transport in a series of two-dimensional hole gases in which the dopant setback distance and the Al mole fraction in the barriers of the quantum well were varied. The hole density was tuned in this way from 0.18 -- 1.9 x 1011 cm-2. Surprisingly, the mobility at T = 0.3 K was found to peak at 2.3 x 10 6 cm-2 at an intermediate density of 6.5 x 10 10 cm-2. Self-consistent Schrodinger/Poisson calculations were performed for each wafer to examine the scattering rates due to a variety of potentials at low temperature. The drop in mobility at high density could be accounted for with the inclusion of interface roughness scattering, but using the same interface roughness scattering parameters for similar two-dimensional electron gases produced inconsistent results. This leaves open the possibility of contributions from other scattering mechanisms in the hole samples at high density. Chapter 6 presents an in-depth study of in-situ backgated two-dimensional gases used for studying the fragile fractional quantum Hall states in the 2nd Landau level. It was found that leakage currents as small as 4 pA could cause noticeable heating of the electron gas if the lattice was not properly thermally anchored to the cryostat. However, it was also found that when the heterostructure design and device fabrication recipe were properly optimized, gate voltages as large as 4 V could be applied before the leakage turned on, allowing the density to be tuned from full depletion to over 4 x 1011 cm-2. As a result, heating effects at dilution refrigerator temperatures were negligible and the gap at nu = 5/2 could be tuned continuously with density to a maximum value of 625 mK, the largest reported to date. An unusual evolution of the reentrant integer quantum Hall states as a function of density is also reported. Such devices should prove useful for the study of electron correlations in nanostructures in the 2nd Landau level.

Commensurability oscillations by snake-orbit magnetotransport in two-dimensional electron gases

NASA Astrophysics Data System (ADS)

Leuschner, A.; Schluck, J.; Cerchez, M.; Heinzel, T.; Pierz, K.; Schumacher, H. W.

2017-04-01

Commensurate magnetoresistance periodic oscillations generated by transversal electron snake orbits are found experimentally. A two-dimensional electron gas is exposed to a magnetic field that changes sign along the current longitudinal direction and is homogeneous in the transverse direction. The change in sign of the magnetic field directs the electron flow along the transversal direction, in snake orbits. This generates resistance oscillations with a predictable periodicity that is commensurate with the width of the electron gas. Numerical simulations are used to reveal the character of the oscillations.

Particle shape effect on erosion of optical glass substrates due to microparticles

NASA Astrophysics Data System (ADS)

Waxman, Rachel; Gray, Perry; Guven, Ibrahim

2018-03-01

Impact experiments using sand particles and soda lime glass spheres were performed on four distinct glass substrates. Sand particles were characterized using optical and scanning electron microscopy. High-speed video footage from impact tests was used to calculate incoming and rebound velocities of the individual impact events, as well as the particle volume and two-dimensional sphericity. Furthermore, video analysis was used in conjunction with optical and scanning electron microscopy to relate the incoming velocity and particle shape to subsequent fractures, including both radial and lateral cracks. Indentation theory [Marshall et al., J. Am. Ceram. Soc. 65, 561-566 (1982)] was applied and correlated with lateral crack lengths. Multi-variable power law regression was performed, incorporating the particle shape into the model and was shown to have better fit to damage data than the previous indentation model.

Local Peltier-effect-induced reversible metal–insulator transition in VO{sub 2} nanowires

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

Takami, Hidefumi; Kanki, Teruo, E-mail: kanki@sanken.osaka-u.ac.jp, E-mail: h-tanaka@sanken.osaka-u.ac.jp; Tanaka, Hidekazu, E-mail: kanki@sanken.osaka-u.ac.jp, E-mail: h-tanaka@sanken.osaka-u.ac.jp

2016-06-15

We report anomalous resistance leaps and drops in VO{sub 2} nanowires with operating current density and direction, showing reversible and nonvolatile switching. This event is associated with the metal–insulator phase transition (MIT) of local nanodomains with coexistence states of metallic and insulating phases induced by thermoelectric cooling and heating effects. Because the interface of metal and insulator domains has much different Peltier coefficient, it is possible that a significant Peltier effect would be a source of the local MIT. This operation can be realized by one-dimensional domain configuration in VO{sub 2} nanowires because one straight current path through the electronicmore » domain-interface enables theoretical control of thermoelectric effects. This result will open a new method of reversible control of electronic states in correlated electron materials.« less

A numerical fragment basis approach to SCF calculations.

NASA Astrophysics Data System (ADS)

Hinde, Robert J.

1997-11-01

The counterpoise method is often used to correct for basis set superposition error in calculations of the electronic structure of bimolecular systems. One drawback of this approach is the need to specify a ``reference state'' for the system; for reactive systems, the choice of an unambiguous reference state may be difficult. An example is the reaction F^- + HCl arrow HF + Cl^-. Two obvious reference states for this reaction are F^- + HCl and HF + Cl^-; however, different counterpoise-corrected interaction energies are obtained using these two reference states. We outline a method for performing SCF calculations which employs numerical basis functions; this method attempts to eliminate basis set superposition errors in an a priori fashion. We test the proposed method on two one-dimensional, three-center systems and discuss the possibility of extending our approach to include electron correlation effects.

Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A=Ca, Sr, and Ba) and SrTiO3

PubMed Central

Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; Van Overmeere, Quentin; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Maran, Ronald; Anazawa, Toshihisa; Valanoor, Nagarajan; Imanaka, Yoshihiko

2017-01-01

The valence band (VB) electronic structure and VB alignments at heterointerfaces of strained epitaxial stannate ASnO3 (A=Ca, Sr, and Ba) thin films are characterized using in situ X-ray and ultraviolet photoelectron spectroscopies, with band gaps evaluated using spectroscopic ellipsometry. Scanning transmission electron microscopy with geometric phase analysis is used to resolve strain at atomic resolution. The VB electronic structure is strain state dependent in a manner that correlated with a directional change in Sn-O bond lengths with strain. However, VB offsets are found not to vary significantly with strain, which resulted in ascribing most of the difference in band alignment, due to a change in the band gaps with strain, to the conduction band edge. Our results reveal significant strain tuning of conduction band offsets using epitaxial buffer layers, with strain-induced offset differences as large as 0.6 eV possible for SrSnO3. Such large conduction band offset tunability through elastic strain control may provide a pathway to minimize the loss of charge confinement in 2-dimensional electron gases and enhance the performance of photoelectrochemical stannate-based devices. PMID:28195149

Structural and electronic properties of monolayer group III monochalcogenides

NASA Astrophysics Data System (ADS)

Demirci, S.; Avazlı, N.; Durgun, E.; Cahangirov, S.

2017-03-01

We investigate the structural, mechanical, and electronic properties of the two-dimensional hexagonal structure of group III-VI binary monolayers, M X (M =B , Al, Ga, In and X =O , S, Se, Te) using first-principles calculations based on the density functional theory. The structural optimization calculations and phonon spectrum analysis indicate that all of the 16 possible binary compounds are thermally stable. In-plane stiffness values cover a range depending on the element types and can be as high as that of graphene, while the calculated bending rigidity is found to be an order of magnitude higher than that of graphene. The obtained electronic band structures show that M X monolayers are indirect band-gap semiconductors. The calculated band gaps span a wide optical spectrum from deep ultraviolet to near infrared. The electronic structure of oxides (M O ) is different from the rest because of the high electronegativity of oxygen atoms. The dispersions of the electronic band edges and the nature of bonding between atoms can also be correlated with electronegativities of constituent elements. The unique characteristics of group III-VI binary monolayers can be suitable for high-performance device applications in nanoelectronics and optics.

Observation and Spectroscopy of a Two-Electron Wigner Molecule in Ultra-Clean Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Pecker, Sharon; Kuemmeth, Ferdinand; Secchi, Andrea; Rontani, Massimo; Ralph, Dan; McEuen, Paul; Ilani, Shahal

2013-03-01

Coulomb interactions can have a decisive effect on the ground state of electronic systems. The simplest system in which interactions can play an interesting role is that of two electrons on a string. In the presence of strong interactions the two electrons are predicted to form a Wigner molecule, separating to the ends of the string due to their mutual repulsion. This spatial structure is believed to be clearly imprinted on the energy spectrum, yet to date a direct measurement of such a spectrum in a controllable one-dimensional setting is still missing. Here we use an ultra-clean suspended carbon nanotube to realize this strongly-correlated system in a tunable potential. Using tunneling spectroscopy we measure the excitation spectra of two interacting carriers, electrons or holes. Seven quantum states are identified, characterized by their spin and isospin quantum numbers. These states are seen to fall into two distinctive multiplets according to their exchange symmetries. Interestingly, we find that the splitting between multiplets is quenched by an order of magnitude compared to the non-interacting value. This quenching is shown to be a direct manifestation of the formation of a strongly-interacting Wigner-molecule ground state.

Toward atomic-scale bright-field electron tomography for the study of fullerene-like nanostructures.

PubMed

Bar Sadan, Maya; Houben, Lothar; Wolf, Sharon G; Enyashin, Andrey; Seifert, Gotthard; Tenne, Reshef; Urban, Knut

2008-03-01

We present the advancement of electron tomography for three-dimensional structure reconstruction of fullerene-like particles toward atomic-scale resolution. The three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is achieved by the combination of low voltage operation of the electron microscope with aberration-corrected phase contrast imaging. The method enables the study of defects and irregularities in the three-dimensional structure of individual fullerene-like particles on the scale of 2-3 A. Control over shape, size, and atomic architecture is a key issue in synthesis and design of functional nanoparticles. Transmission electron microscopy (TEM) is the primary technique to characterize materials down to the atomic level, albeit the images are two-dimensional projections of the studied objects. Recent advancements in aberration-corrected TEM have demonstrated single atom sensitivity for light elements at subångström resolution. Yet, the resolution of tomographic schemes for three-dimensional structure reconstruction has not surpassed 1 nm3, preventing it from becoming a powerful tool for characterization in the physical sciences on the atomic scale. Here we demonstrate that negative spherical aberration imaging at low acceleration voltage enables tomography down to the atomic scale at reduced radiation damage. First experimental data on the three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is presented. The method is applicable to the analysis of the atomic architecture of a wide range of nanostructures where strong electron channeling is absent, in particular to carbon fullerenes and inorganic fullerenes.

Two-dimensional collective electron magnetotransport, oscillations, and chaos in a semiconductor superlattice

NASA Astrophysics Data System (ADS)

Bonilla, L. L.; Carretero, M.; Segura, A.

2017-12-01

When quantized, traces of classically chaotic single-particle systems include eigenvalue statistics and scars in eigenfuntions. Since 2001, many theoretical and experimental works have argued that classically chaotic single-electron dynamics influences and controls collective electron transport. For transport in semiconductor superlattices under tilted magnetic and electric fields, these theories rely on a reduction to a one-dimensional self-consistent drift model. A two-dimensional theory based on self-consistent Boltzmann transport does not support that single-electron chaos influences collective transport. This theory agrees with existing experimental evidence of current self-oscillations, predicts spontaneous collective chaos via a period doubling scenario, and could be tested unambiguously by measuring the electric potential inside the superlattice under a tilted magnetic field.

Stability enhancement and electronic tunability of two-dimensional SbIV compounds via surface functionalization

NASA Astrophysics Data System (ADS)

Zhou, Wenhan; Guo, Shiying; Liu, Xuhai; Cai, Bo; Song, Xiufeng; Zhu, Zhen; Zhang, Shengli

2018-01-01

We propose a family of hydrogenated- and halogenated-SbIV (SbIVX-2) materials that simultaneously have two-dimensional (2D) structures, high stability and appealing electronic properties. Based on first-principles total-energy and vibrational-spectra calculations, SbIVX-2 monolayers are found both thermally and dynamically stable. Varying IV and X elements can rationally tune the electronic properties of SbIVX-2 monolayers, effectively modulating the band gap from 0 to 3.42 eV. Regarding such superior stability and broad band-gap range, SbIVX-2 monolayers are expected to be synthesized in experiments and taken as promising candidates for low-dimensional electronic and optoelectronic devices, such as blue-to-ultraviolet light-emitting diodes (LED) and photodetectors.

Two-dimensional collective electron magnetotransport, oscillations, and chaos in a semiconductor superlattice.

PubMed

Bonilla, L L; Carretero, M; Segura, A

2017-12-01

When quantized, traces of classically chaotic single-particle systems include eigenvalue statistics and scars in eigenfuntions. Since 2001, many theoretical and experimental works have argued that classically chaotic single-electron dynamics influences and controls collective electron transport. For transport in semiconductor superlattices under tilted magnetic and electric fields, these theories rely on a reduction to a one-dimensional self-consistent drift model. A two-dimensional theory based on self-consistent Boltzmann transport does not support that single-electron chaos influences collective transport. This theory agrees with existing experimental evidence of current self-oscillations, predicts spontaneous collective chaos via a period doubling scenario, and could be tested unambiguously by measuring the electric potential inside the superlattice under a tilted magnetic field.

Electron tomography and computer visualisation of a three-dimensional 'photonic' crystal in a butterfly wing-scale.

PubMed

Argyros, A; Manos, S; Large, M C J; McKenzie, D R; Cox, G C; Dwarte, D M

2002-01-01

A combination of transmission electron tomography and computer modelling has been used to determine the three-dimensional structure of the photonic crystals found in the wing-scales of the Kaiser-I-Hind butterfly (Teinopalpus imperialis). These scales presented challenges for electron microscopy because the periodicity of the structure was comparable to the thickness of a section and because of the complex connectivity of the object. The structure obtained has been confirmed by taking slices of the three-dimensional computer model constructed from the tomography and comparing these with transmission electron microscope (TEM) images of microtomed sections of the actual scale. The crystal was found to have chiral tetrahedral repeating units packed in a triclinic lattice.

Chaos and simple determinism in reversed field pinch plasmas: Nonlinear analysis of numerical simulation and experimental data

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

Watts, Christopher A.

In this dissertation the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas is investigated. To properly assess this possibility, data from both numerical simulations and experiment are analyzed. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos in the data. These tools include phase portraits and Poincare sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulatemore » the plasma dynamics. These are the DEBS code, which models global RFP dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low dimensional chaos and simple determinism. Experimental date were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or low simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

Structure and Growth Control of Organic-Inorganic Halide Perovskites for Optoelectronics: From Polycrystalline Films to Single Crystals.

PubMed

Chen, Yani; He, Minhong; Peng, Jiajun; Sun, Yong; Liang, Ziqi

2016-04-01

Recently, organic-inorganic halide perovskites have sparked tremendous research interest because of their ground-breaking photovoltaic performance. The crystallization process and crystal shape of perovskites have striking impacts on their optoelectronic properties. Polycrystalline films and single crystals are two main forms of perovskites. Currently, perovskite thin films have been under intensive investigation while studies of perovskite single crystals are just in their infancy. This review article is concentrated upon the control of perovskite structures and growth, which are intimately correlated for improvements of not only solar cells but also light-emitting diodes, lasers, and photodetectors. We begin with the survey of the film formation process of perovskites including deposition methods and morphological optimization avenues. Strategies such as the use of additives, thermal annealing, solvent annealing, atmospheric control, and solvent engineering have been successfully employed to yield high-quality perovskite films. Next, we turn to summarize the shape evolution of perovskites single crystals from three-dimensional large sized single crystals, two-dimensional nanoplates, one-dimensional nanowires, to zero-dimensional quantum dots. Siginificant functions of perovskites single crystals are highlighted, which benefit fundamental studies of intrinsic photophysics. Then, the growth mechanisms of the previously mentioned perovskite crystals are unveiled. Lastly, perspectives for structure and growth control of perovskites are outlined towards high-performance (opto)electronic devices.

Photophysics of single-walled carbon nanotubes: similarity with π-conjugated polymer

NASA Astrophysics Data System (ADS)

Zhao, Hongbo

2006-03-01

Coulomb electron-electron (e-e) interactions among the π-electrons have a strong effect on the energy spectra of semiconducting single-walled carbon nanotubes (S-SWCNTs), because of their quasi-one-dimensionality. The primary photoexcitations in S-SWCNTs as a consequence of e-e interactions are excitons, as opposed to free electrons and holes. There already exists a vast literature on excitons in π-conjugated polymers, the other class of carbon-based quasi-one-dimensional semiconductors. In order to seek guidance from this knowledge base, we have performed theoretical calculations of the excited state electronic structures, linear absorptions and excited state absorptions for ten different S-SWCNTs with a wide range in diameters, within the same correlated π-electron model that has previously been applied to π-conjugated polymers. We found remarkable similarities in the excitonic energy spectra and nonlinear optical properties of S-SWCNTs on the one hand, and π-conjugated polymers on the other. The ``essential states'' model of third-order optical nonlinearity, previously developed for π-conjugated polymers, applies also to S-SWCNTs (with minor modifications for chiral S-SWCNTs which lack center of inversion). Our theory is able to explain semiquantitatively the results of nonlinear spectroscopic measurements on both S-SWCNTs and π-conjugated polymers. For wide S-SWCNTs with diameters ranging from 0.8--1.0 nm, we calculate exciton binding energies of 0.3--0.4 eV, in strong agreement with the values predicted from the experiments. We also remark on the occurrence of dark excitons below the optical excitons in the S-SWCNTs, and the consequence thereof on the photoluminescence of these materials. H. Zhao, et al., cond-mat/0506097; J. W. Kennedy, et al., cond-mat/0505071. S. N. Dixit, D. Guo, and S. Mazumdar, Phys. Rev. B 43, R6781 (1991) H. Zhao and S. Mazumdar, Phys. Rev. Lett. 93, 157402 (2004).

Broadband 2D electronic spectrometer using white light and pulse shaping: noise and signal evaluation at 1 and 100 kHz.

PubMed

Kearns, Nicholas M; Mehlenbacher, Randy D; Jones, Andrew C; Zanni, Martin T

2017-04-03

We have developed a broad bandwidth two-dimensional electronic spectrometer that operates shot-to-shot at repetition rates up to 100 kHz using an acousto-optic pulse shaper. It is called a two-dimensional white-light (2D-WL) spectrometer because the input is white-light supercontinuum. Methods for 100 kHz data collection are studied to understand how laser noise is incorporated into 2D spectra during measurement. At 100 kHz, shot-to-shot scanning of the delays and phases of the pulses in the pulse sequence produces a 2D spectrum 13-times faster and with the same signal-to-noise as using mechanical stages and a chopper. Comparing 100 to 1 kHz repetition rates, data acquisition time is decreased by a factor of 200, which is beyond the improvement expected by the repetition rates alone due to reduction in 1/f noise. These improvements arise because shot-to-shot readout and modulation of the pulse train at 100 kHz enables the electronic coherences to be measured faster than the decay in correlation between laser intensities. Using white light supercontinuum for the pump and probe pulses produces high signal-to-noise spectra on samples with optical densities <0.1 within a few minutes of averaging and an instrument response time of <46 fs thereby demonstrating that that simple broadband continuum sources, although weak, are sufficient to create high quality 2D spectra with >200 nm bandwidth.

Rolled-Up Optical and Electronic Components for On-Chip Integrative Applications

DTIC Science & Technology

2013-10-10

attracted broad interest to create new three- dimensional electronics such as wrapable solar cells , pressure sensors and paper displays. The adaption to...cone-like microtube cavities Rolled-up electronics 1. Energy storage elements based on hybrid organic/inorganic nanomembranes 2.High performance...fabricated in this way to detect and analyze individual cells , biomolecules, and their bioactivities. 3.2 Three-dimensional confinement in asymmetric

Viscous electron flow in mesoscopic two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Gusev, G. M.; Levin, A. D.; Levinson, E. V.; Bakarov, A. K.

2018-02-01

We report electrical and magneto transport measurements in mesoscopic size, two-dimensional (2D) electron gas in a GaAs quantum well. Remarkably, we find that the probe configuration and sample geometry strongly affects the temperature evolution of local resistance. We attribute all transport properties to the presence of hydrodynamic effects. Experimental results confirm the theoretically predicted significance of viscous flow in mesoscopic devices.

Research progress on electronic phase separation in low-dimensional perovskite manganite nanostructures

PubMed Central

2014-01-01

Perovskite oxide manganites with a general formula of R1-x AxMnO3 (where R is a trivalent rare-earth element such as La, Pr, Sm, and A is a divalent alkaline-earth element such as Ca, Sr, and Ba) have received much attention due to their unusual electron-transport and magnetic properties, which are indispensable for applications in microelectronic, magnetic, and spintronic devices. Recent advances in the science and technology have resulted in the feature sizes of microelectronic devices based on perovskite manganite oxides down-scaling into nanoscale dimensions. At the nanoscale, low-dimensional perovskite manganite oxide nanostructures display novel physical properties that are different from their bulk and film counterparts. Recently, there is strong experimental evidence to indicate that the low-dimensional perovskite manganite oxide nanostructures are electronically inhomogeneous, consisting of different spatial regions with different electronic orders, a phenomenon that is named as electronic phase separation (EPS). As the geometry sizes of the low-dimensional manganite nanostructures are reduced to the characteristic EPS length scale (typically several tens of nanometers in manganites), the EPS is expected to be strongly modulated, leading to quite dramatic changes in functionality and more emergent phenomena. Therefore, reduced dimensionality opens a door to the new functionalities in perovskite manganite oxides and offers a way to gain new insight into the nature of EPS. During the past few years, much progress has been made in understanding the physical nature of the EPS in low-dimensional perovskite manganite nanostructures both from experimentalists and theorists, which have a profound impact on the oxide nanoelectronics. This nanoreview covers the research progresses of the EPS in low-dimensional perovskite manganite nanostructures such as nanoparticles, nanowires/nanotubes, and nanostructured films and/or patterns. The possible physical origins of the EPS are also discussed from the signatures of electronic inhomogeneities as well as some theoretical scenarios, to shed light on understanding this phenomenon. Finally, the perspectives to the future researches in this area are also outlined. PMID:25024686

In situ Charge Density Imaging of Metamaterials made with Switchable Two dimensionalElectron Gas at Oxide Heterointerfaces

DTIC Science & Technology

2017-11-28

AFRL-AFOSR-JP-TR-2018-0028 In-situ Charge-Density Imaging of Metamaterials from Switchable 2D electron gas CHANG BEOM EOM UNIVERSITY OF WISCONSIN...Imaging of Metamaterials made with Switchable Two-dimensional Electron Gas at Oxide Heterointerfaces 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-16-1...using pulsed laser deposition atomic with in-situ reflection high-energy electron diffraction (RHEED). We have also demonstrated that the inline

Three-Dimensional Intercalated Porous Graphene on Si(111)

NASA Astrophysics Data System (ADS)

Pham, Trung T.; Sporken, Robert

2018-02-01

Three-dimensional intercalated porous graphene has been formed on Si(111) by electron beam evaporation under appropriate conditions and its structural and electronic properties investigated in detail by reflection high-energy electron diffraction, x-ray photoemission spectroscopy, Raman spectroscopy, high-resolution scanning electron microscopy, atomic force microscopy, and scanning tunneling microscopy. The results show that the crystalline quality of the porous graphene depended not only on the substrate temperature but also on the SiC layer thickness during carbon atom deposition.

Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires

PubMed Central

Seivane, Lucas Fernandez; Barron, Hector; Botti, Silvana; Marques, Miguel Alexandre Lopes; Rubio, Ángel; López-Lozano, Xóchitl

2013-01-01

The structural, electronic and magnetic properties of quasi-one-dimensional MoS2 nanowires, passivated by extra sulfur, have been determined using ab initio density-functional theory. The nanostructures were simulated using several different models based on experimental electron microscopy images. It is found that independently of the geometrical details and the coverage of extra sulfur at the Mo-edge, quasi-one-dimensional metallic states are predominant in all the low-energy model structures despite their reduced dimensionality. These metallic states are localized mainly at the edges. However, the electronic and magnetic character of the NWs does not depend only on the S saturation but also on the symmetry configuration of the S edge atoms. Our results show that for the same S saturation the magnetization can be decreased by increasing the pairing of the S and Mo edge atoms. In spite of the observed pairing of S dimers at the Mo-edge, the nanowires do not experience a Peierls-like metal-insulator transition PMID:25429189

Enhancing the Thermoelectric Figure of Merit by Low-Dimensional Electrical Transport in Phonon-Glass Crystals.

PubMed

Mi, Xue-Ya; Yu, Xiaoxiang; Yao, Kai-Lun; Huang, Xiaoming; Yang, Nuo; Lü, Jing-Tao

2015-08-12

Low-dimensional electronic and glassy phononic transport are two important ingredients of highly efficient thermoelectric materials, from which two branches of thermoelectric research have emerged. One focuses on controlling electronic transport in the low dimension, while the other focuses on multiscale phonon engineering in the bulk. Recent work has benefited much from combining these two approaches, e.g., phonon engineering in low-dimensional materials. Here we propose to employ the low-dimensional electronic structure in bulk phonon-glass crystals as an alternative way to increase the thermoelectric efficiency. Through first-principles electronic structure calculations and classical molecular dynamics simulations, we show that the π-π-stacking bis(dithienothiophene) molecular crystal is a natural candidate for such an approach. This is determined by the nature of its chemical bonding. Without any optimization of the material parameters, we obtained a maximum room-temperature figure of merit, ZT, of 1.48 at optimal doping, thus validating our idea.

Electrical properties and subband occupancy at the (La ,Sr ) (Al ,Ta ) O3/SrTi O3 interface

NASA Astrophysics Data System (ADS)

Han, K.; Huang, Z.; Zeng, S. W.; Yang, M.; Li, C. J.; Zhou, W. X.; Wang, X. Renshaw; Venkatesan, T.; Coey, J. M. D.; Goiran, M.; Escoffier, W.; Ariando

2017-06-01

The quasi-two-dimensional electron gas at oxide interfaces provides a platform for investigating quantum phenomena in strongly correlated electronic systems. Here, we study the transport properties at the high-mobility (L a0.3S r0.7 ) (A l0.65T a0.35 ) O3/SrTi O3 interface. Before oxygen annealing, the as-grown interface exhibits a high electron density and electron occupancy of two subbands: higher-mobility electrons (μ1≈104c m2V-1s-1 at 2 K) occupy the lower-energy 3 dxy subband, while lower-mobility electrons (μ1≈103c m2V-1s-1 at 2 K) propagate in the higher-energy 3 dxz /yz -dominated subband. After removing oxygen vacancies by annealing in oxygen, only a single type of 3 dxy electrons remain at the annealed interface, showing tunable Shubnikov-de Haas oscillations below 9 T at 2 K and an effective mass of 0.7 me . By contrast, no oscillation is observed at the as-grown interface even when electron mobility is increased to 50 000 c m2V-1s-1 by gating voltage. Our results reveal the important roles of both carrier mobility and subband occupancy in tuning the quantum transport at oxide interfaces.

Three Dimensional High-Resolution Reconstruction of the Ionosphere Over the Very Large Array

DTIC Science & Technology

2010-12-15

Watts Progress Report, Dec 10; 1 Final Report: Three Dimensional High-Resolution Reconstruction of the Ionosphere over the Very Large Array...proposed research is reconstruct the three-dimensional regional electron density profile of Earth’s ionosphere with spatial resolution of better than 10 km...10x better sensitivity to total electron content (TEC, or chord integrated density) in the ionosphere that does GPS. The proposal funds the

Uranium nitride: a cubic antiferromagnet with anisotropic critical behavior

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

Buyers, W J.L.; Holden, T M; Svensson, E C

1977-11-01

Highly anisotropic critical scattering associated with the transition at T/sub N/ = 49.5 K to the type-I antiferromagnetic structure has been observed in uranium nitride. The transverse susceptibility is found to be unobservably small. The longitudinal susceptibility diverges at T/sub N/ and its anisotropy shows that the spins within the (001) ferromagnetic sheets of the (001) domain are much more highly correlated than they are with the spins lying in adjacent (001) sheets. The correlation range within the sheets is much greater than that expected for a Heisenberg system with the same T/sub N/. The rod-like scattering extended along themore » spin and domain direction is reminiscent of two-dimensional behavior. The results are inconsistent with a simple localized model and may reflect the itinerant nature of the 5f electrons.« less

Polymorphism control of superconductivity and magnetism in Cs(3)C(60) close to the Mott transition.

PubMed

Ganin, Alexey Y; Takabayashi, Yasuhiro; Jeglic, Peter; Arcon, Denis; Potocnik, Anton; Baker, Peter J; Ohishi, Yasuo; McDonald, Martin T; Tzirakis, Manolis D; McLennan, Alec; Darling, George R; Takata, Masaki; Rosseinsky, Matthew J; Prassides, Kosmas

2010-07-08

The crystal structure of a solid controls the interactions between the electronically active units and thus its electronic properties. In the high-temperature superconducting copper oxides, only one spatial arrangement of the electronically active Cu(2+) units-a two-dimensional square lattice-is available to study the competition between the cooperative electronic states of magnetic order and superconductivity. Crystals of the spherical molecular C(60)(3-) anion support both superconductivity and magnetism but can consist of fundamentally distinct three-dimensional arrangements of the anions. Superconductivity in the A(3)C(60) (A = alkali metal) fullerides has been exclusively associated with face-centred cubic (f.c.c.) packing of C(60)(3-) (refs 2, 3), but recently the most expanded (and thus having the highest superconducting transition temperature, T(c); ref. 4) composition Cs(3)C(60) has been isolated as a body-centred cubic (b.c.c.) packing, which supports both superconductivity and magnetic order. Here we isolate the f.c.c. polymorph of Cs(3)C(60) to show how the spatial arrangement of the electronically active units controls the competing superconducting and magnetic electronic ground states. Unlike all the other f.c.c. A(3)C(60) fullerides, f.c.c. Cs(3)C(60) is not a superconductor but a magnetic insulator at ambient pressure, and becomes superconducting under pressure. The magnetic ordering occurs at an order of magnitude lower temperature in the geometrically frustrated f.c.c. polymorph (Néel temperature T(N) = 2.2 K) than in the b.c.c.-based packing (T(N) = 46 K). The different lattice packings of C(60)(3-) change T(c) from 38 K in b.c.c. Cs(3)C(60) to 35 K in f.c.c. Cs(3)C(60) (the highest found in the f.c.c. A(3)C(60) family). The existence of two superconducting packings of the same electronically active unit reveals that T(c) scales universally in a structure-independent dome-like relationship with proximity to the Mott metal-insulator transition, which is governed by the role of electron correlations characteristic of high-temperature superconducting materials other than fullerides.

A Study of the Surface Structure of Polymorphic Graphene and Other Two-Dimensional Materials for Use in Novel Electronics and Organic Photovoltaics

NASA Astrophysics Data System (ADS)

Grady, Maxwell

For some time there has been interest in the fundamental physical properties of low- dimensional material systems. The discovery of graphene as a stable two-dimensional form of solid carbon lead to an exponential increase in research in two-dimensional and other re- duced dimensional systems. It is now known that there is a wide range of materials which are stable in two-dimensional form. These materials span a large configuration space of struc- tural, mechanical, and electronic properties, which results in the potential to create novel electronic devices from nano-scale heterostructures with exactly tailored device properties. Understanding the material properties at the nanoscale level requires specialized tools to probe materials with atomic precision. Here I present the growth and analysis of a novel graphene-ruthenium system which exhibits unique polymorphism in its surface structure, hereby referred to as polymorphic graphene. Scanning Tunneling Microscopy (STM) investigations of the polymorphic graphene surface reveal a periodically rippled structure with a vast array of domains, each exhibiting xvia unique moire period. The majority of moire domains found in this polymorphic graphene system are previously unreported in past studies of the structure of graphene on ruthenium. To better understand many of the structural properties of this system, characterization methods beyond those available at the UNH surface science lab are employed. Further investigation using Low Energy Electron Microscopy (LEEM) has been carried out at Sandia National Laboratory's Center for Integrated Nanotechnology and the Brookhaven National Laboratory Center for Functional Nanomaterials. To aid in analysis of the LEEM data, I have developed an open source software package to automate extraction of electron reflectivity curves from real space and reciprocal space data sets. This software has been used in the study of numerous other two-dimensional materials beyond graphene. When combined with computational modeling, the analysis of electron I(V) curves presents a method to quantify structural parameters in a material with angstrom level precision. While many materials studied in this thesis offer unique electronic properties, my work focuses primarily on their structural aspects, as well as the instrumentation required to characterize the structure with ultra high resolution.

Magnetic Interactions at the Nanoscale in Trilayer Titanates

NASA Astrophysics Data System (ADS)

Cao, Yanwei; Yang, Zhenzhong; Kareev, M.; Liu, Xiaoran; Meyers, D.; Middey, S.; Choudhury, D.; Shafer, P.; Guo, Jiandong; Freeland, J. W.; Arenholz, E.; Gu, Lin; Chakhalian, J.

2016-02-01

We report on the phase diagram of competing magnetic interactions at the nanoscale in engineered ultrathin trilayer heterostructures of LaTiO3 /SrTiO3/YTiO3 , in which the interfacial inversion symmetry is explicitly broken. Combined atomic layer resolved scanning transmission electron microscopy with electron energy loss spectroscopy and electrical transport have confirmed the formation of a spatially separated two-dimensional electron liquid and high density two-dimensional localized magnetic moments at the LaTiO3 /SrTiO3 and SrTiO3 /YTiO3 interfaces, respectively. Resonant soft x-ray linear dichroism spectroscopy has demonstrated the presence of orbital polarization of the conductive LaTiO3 /SrTiO3 and localized SrTiO3 /YTiO3 electrons. Our results provide a route with prospects for exploring new magnetic interfaces, designing a tunable two-dimensional d -electron Kondo lattice, and potential spin Hall applications.

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

PubMed

Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

2012-08-16

The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

Direct-Write Printing on Three-Dimensional Geometries for Miniaturized Detector and Electronic Assemblies

NASA Technical Reports Server (NTRS)

Paquette, Beth; Samuels, Margaret; Chen, Peng

2017-01-01

Direct-write printing techniques will enable new detector assemblies that were not previously possible with traditional assembly processes. Detector concepts were manufactured using this technology to validate repeatability. Additional detector applications and printed wires on a 3-dimensional magnetometer bobbin will be designed for print. This effort focuses on evaluating performance for direct-write manufacturing techniques on 3-dimensional surfaces. Direct-write manufacturing has the potential to reduce mass and volume for fabrication and assembly of advanced detector concepts by reducing trace widths down to 10 microns, printing on complex geometries, allowing new electronic concept production, and reduced production times of complex those electronics.

Optical frequency shot-noise suppression in electron beams: Three-dimensional analysis

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

Nause, A.; Dyunin, E.; Gover, A.

2010-05-15

A predicted effect of current shot-noise suppression at optical-frequencies in a drifting charged-particle-beam and the corresponding process of particles self-ordering are analyzed in a one-dimensional (1D) model and verified by three-dimensional numerical simulations. The analysis confirms the prediction of a 1D single mode Langmuir plasma wave model of longitudinal plasma oscillation in the beam, and it defines the regime of beam parameters in which this effect takes place. The suppression of relativistic beam shot noise can be utilized to enhance the coherence of free electron lasers and of any coherent radiation device using an electron beam.

Algorithm for loading shot noise microbunching in multi-dimensional, free-electron laser simulation codes

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

Fawley, William M.

We discuss the underlying reasoning behind and the details of the numerical algorithm used in the GINGER free-electron laser(FEL) simulation code to load the initial shot noise microbunching on the electron beam. In particular, we point out that there are some additional subtleties which must be followed for multi-dimensional codes which are not necessary for one-dimensional formulations. Moreover, requiring that the higher harmonics of the microbunching also be properly initialized with the correct statistics leads to additional complexities. We present some numerical results including the predicted incoherent, spontaneous emission as tests of the shot noise algorithm's correctness.

Orbital order and effective mass enhancement in t2 g two-dimensional electron gases

NASA Astrophysics Data System (ADS)

Tolsma, John; Principi, Alessandro; Polini, Marco; MacDonald, Allan

2015-03-01

It is now possible to prepare d-electron two-dimensional electron gas systems that are confined near oxide heterojunctions and contain t2 g electrons with a density much smaller than one electron per metal atom. I will discuss a generic model that captures all qualitative features of electron-electron interaction physics in t2 g two-dimensional electron gas systems, and the use of a GW approximation to explore t2 g quasiparticle properties in this new context. t2 g electron gases contain a high density isotropic light mass xy component and low-density xz and yz anisotropic components with light and heavy masses in orthogonal directions. The high density light mass band screens interactions within the heavy bands. As a result the wave vector dependence of the self-energy is reduced and the effective mass is increased. When the density in the heavy bands is low, the difference in anisotropy between the two heavy bands favors orbital order. When orbital order does not occur, interactions still reshape the heavy-band Fermi surfaces. I will discuss these results in the context of recently reported magnetotransport experiments.

Electronic structure engineering in silicene via atom substitution and a new two-dimensional Dirac structure Si3C

NASA Astrophysics Data System (ADS)

Yin, Na; Dai, Ying; Wei, Wei; Huang, Baibiao

2018-04-01

A lot of efforts have been made towards the band gap opening in two-dimensional silicene, the silicon version of graphene. In the present work, the electronic structures of single atom doped (B, N, Al and P) and codoped (B/N and Al/P) silicene monolayers are systematically examined on the base of density functional electronic calculations. Our results demonstrate that single atom doping can realize electron or hole doping in the silicene; while codoping, due to the syergistic effects, results in finite band gap in silicene at the Dirac point without significantly degrading the electronic properties. In addition, the characteristic of band gap shows dependence on the doping concentration. Importantly, we predict a new two-dimensional Dirac structure, the graphene-like Si3C, which also shows linear band dispersion relation around the Fermi level. Our results demonstrates an important perspective to engineer the electronic and optical properties of silicene.

Correlation between the Hall Resistance and Magnetoresistance in the Mixed State of an Nd2 - x Ce x CuO4 + δ Electronic Superconductor

NASA Astrophysics Data System (ADS)

Charikova, T. B.; Shelushinina, N. G.; Petukhov, D. S.; Kharus, G. I.; Petukhova, O. E.; Ivanov, A. A.

2017-12-01

The Hall resistance and the magnetoresistance in the mixed state of the Nd2 - x Ce x CuO4 + δ quasi-two-dimensional system near the antiferromagnetic-superconductor (AF-SC) phase transition have been measured at doping levels x = 0.14 and 0.15, and a correlation has been established. This correlation can be analyzed using the following power relationship: ρ xy ( B) [ρ xx ( B)]β. It was found that index β varied from 0.94 ± 0.03 in the region of AF and SC coexistence ( x = 0.14) to 0.6 ± 0.1 in the SC region with the maximum critical temperature ( x = 0.15) at low temperatures and weak magnetic fields. This reduction suggests that the symmetry of carrier pairing changes at the boundary of the transition from the phase of antiferromagnetic ordering and spin density waves to the superconducting phase in the presence of antiferromagnetic spin fluctuations.

Influence of spin and charge fluctuations on spectra of the two-dimensional Hubbard model

NASA Astrophysics Data System (ADS)

Sherman, A.

2018-05-01

The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions , temperatures and electron concentrations with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at . At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from at the highest temperatures to U  =  2t at for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for . For and doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.

Evaluation of Left Ventricular Diastolic Dysfunction with Early Systolic Dysfunction Using Two-Dimensional Speckle Tracking Echocardiography in Canine Heart Failure Model.

PubMed

Wu, Wei-Chun; Ma, Hong; Xie, Rong-Ai; Gao, Li-Jian; Tang, Yue; Wang, Hao

2016-04-01

This study evaluated the role of two-dimensional speckle tracking echocardiography (2DSTE) for predicting left ventricular (LV) diastolic dysfunction in pacing-induced canine heart failure. Pacing systems were implanted in 8 adult mongrel dogs, and continuous rapid right ventricular pacing (RVP, 240 beats/min) was maintained for 2 weeks. The obtained measurements from 2DSTE included global strain rate during early diastole (SRe) and during late diastole (SRa) in the longitudinal (L-SRe, L-SRa), circumferential (C-SRe, C-SRa), and radial directions (R-SRe, R-SRa). Changes in heart morphology were observed by light microscopy and transmission electron microscopy at 2 weeks. The onset of LV diastolic dysfunction with early systolic dysfunction occurred 3 days after RVP initiation. Most of the strain rate imaging indices were altered at 1 or 3 days after RVP onset and continued to worsen until heart failure developed. Light and transmission electron microscopy showed myocardial vacuolar degeneration and mitochondrial swelling in the left ventricular at 2 weeks after RVP onset. Pearson's correlation analysis revealed that parameters of conventional echocardiography and 2DSTE showed moderate correlation with LV pressure parameters, including E/Esep' (r = 0.58, P < 0.01), L-SRe (r = -0.58, P < 0.01), E/L-SRe (r = 0.65, P < 0.01), and R-SRe (r = 0.53, P < 0.01). ROC curves analysis showed that these indices of conventional echocardiography and strain rate imaging could effectively predict LV diastolic dysfunction (area under the curve: E/Esep' 0.78; L-SRe 0.84; E/L-SRe 0.80; R-SRe 0.80). 2DSTE was a sensitive and accurate technique that could be used for predicting LV diastolic dysfunction in canine heart failure model. © 2015, Wiley Periodicals, Inc.

Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy

PubMed Central

Caram, Justin R.; Zheng, Haibin; Dahlberg, Peter D.; Rolczynski, Brian S.; Griffin, Graham B.; Dolzhnikov, Dmitriy S.; Talapin, Dmitri V.; Engel, Gregory S.

2014-01-01

Development of optoelectronic technologies based on quantum dots depends on measuring, optimizing, and ultimately predicting charge carrier dynamics in the nanocrystal. In such systems, size inhomogeneity and the photoexcited population distribution among various excitonic states have distinct effects on electron and hole relaxation, which are difficult to distinguish spectroscopically. Two-dimensional electronic spectroscopy can help to untangle these effects by resolving excitation energy and subsequent nonlinear response in a single experiment. Using a filament-generated continuum as a pump and probe source, we collect two-dimensional spectra with sufficient spectral bandwidth to follow dynamics upon excitation of the lowest three optical transitions in a polydisperse ensemble of colloidal CdSe quantum dots. We first compare to prior transient absorption studies to confirm excitation-state-dependent dynamics such as increased surface-trapping upon excitation of hot electrons. Second, we demonstrate fast band-edge electron-hole pair solvation by ligand and phonon modes, as the ensemble relaxes to the photoluminescent state on a sub-picosecond time-scale. Third, we find that static disorder due to size polydispersity dominates the nonlinear response upon excitation into the hot electron manifold; this broadening mechanism stands in contrast to that of the band-edge exciton. Finally, we demonstrate excitation-energy dependent hot-carrier relaxation rates, and we describe how two-dimensional electronic spectroscopy can complement other transient nonlinear techniques. PMID:24588185

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.

Spin-dependent optimized effective potential formalism for open and closed systems

NASA Astrophysics Data System (ADS)

Rigamonti, S.; Horowitz, C. M.; Proetto, C. R.

2015-12-01

Orbital-based exchange (x ) correlation (c ) energy functionals, leading to the optimized effective potential (OEP) formalism of density-functional theory (DFT), are gaining increasing importance in ground-state DFT, as applied to the calculation of the electronic structure of closed systems with a fixed number of particles, such as atoms and molecules. These types of functionals prove also to be extremely valuable for dealing with solid-state systems with reduced dimensionality, such as is the case of electrons trapped at the interface between two different semiconductors, or narrow metallic slabs. In both cases, electrons build a quasi-two-dimensional electron gas, or Q2DEG. We provide here a general DFT-OEP formal scheme valid both for Q2DEGs either isolated (closed) or in contact with a particle bath (open), and show that both possible representations are equivalent, being the choice of one or the other essentially a question of convenience. Based on this equivalence, a calculation scheme is proposed which avoids the noninvertibility problem of the density response function for closed systems. We also consider the case of spontaneously spin-polarized Q2DEGs, and find that far from the region where the Q2DEG is localized, the exact x -only exchange potential approaches two different, spin-dependent asymptotic limits. As an example, aside from these formal results, we also provide numerical results for a spin-polarized jellium slab, using the new OEP formalism for closed systems. The accuracy of the Krieger-Li-Iafrate approximation has been also tested for the same system, and found to be as good as it is for atoms and molecules.

Protected Fe valence in quasi-two-dimensional α-FeSi2.

PubMed

Miiller, W; Tomczak, J M; Simonson, J W; Smith, G; Kotliar, G; Aronson, M C

2015-05-08

We report the first comprehensive study of the high temperature form (α-phase) of iron disilicide. Measurements of the magnetic susceptibility, magnetization, heat capacity and resistivity were performed on well characterized single crystals. With a nominal iron d(6) configuration and a quasi-two-dimensional crystal structure that strongly resembles that of LiFeAs, α-FeSi2 is a potential candidate for unconventional superconductivity. Akin to LiFeAs, α-FeSi2 does not develop any magnetic order and we confirm its metallic state down to the lowest temperatures (T = 1.8 K). However, our experiments reveal that paramagnetism and electronic correlation effects in α-FeSi2 are considerably weaker than in the pnictides. Band theory calculations yield small Sommerfeld coefficients of the electronic specific heat γ = Ce/T that are in excellent agreement with experiment. Additionally, realistic many-body calculations further corroborate that quasi-particle mass enhancements are only modest in α-FeSi2. Remarkably, we find that the natural tendency to vacancy formation in the iron sublattice has little influence on the iron valence and the density of states at the Fermi level. Moreover, Mn doping does not significantly change the electronic state of the Fe ion. This suggests that the iron valence is protected against hole doping and indeed the substitution of Co for Fe causes a rigid-band like response of the electronic properties. As a key difference from the pnictides, we identify the smaller inter-iron layer spacing, which causes the active orbitals near the Fermi level to be of a different symmetry in α-FeSi2. This change in orbital character might be responsible for the lack of superconductivity in this system, providing constraints on pairing theories in the iron based pnictides and chalcogenides.

The piezoelectric gating effect in a thin bent membrane with a two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Shevyrin, Andrey A.; Pogosov, Arthur G.

2018-05-01

Thin suspended nanostructures with a two-dimensional electron gas can be used as nanoelectromechanical systems in which electron transport is piezoelectrically coupled to mechanical motion and vibrations. Apart from practical applications, these systems are interesting for studying electron transport under unusual conditions, namely, in the presence of additional mechanical degrees of freedom. In the present paper, we analyze the influence of the bending on the density of a gated two-dimensional electron gas contained in a suspended membrane using the Thomas–Fermi approach and the model of pure electrostatic screening. We show that a small bending is analogous to a small change in gate voltages. Our calculations demonstrate that the density change is most prominent near the edges of the conductive channel created by negatively biased gates. When moving away from these edges, the bending-induced density change rapidly decays. We propose several methods to increase the magnitude of the effect, with the largest benefit obtained from coverage of the conductive channel with an additional grounded gate. It is shown that, for a conductive channel under a bare surface, the largest effect can be achieved if the two-dimensional electron gas is placed near the middle of the membrane thickness, despite the bending-induced strain is zero there.

On the current drive capability of low dimensional semiconductors: 1D versus 2D

DOE PAGES

Zhu, Y.; Appenzeller, J.

2015-10-29

Low-dimensional electronic systems are at the heart of many scaling approaches currently pursuit for electronic applications. Here, we present a comparative study between an array of one-dimensional (1D) channels and its two-dimensional (2D) counterpart in terms of current drive capability. Lastly, our findings from analytical expressions derived in this article reveal that under certain conditions an array of 1D channels can outperform a 2D field-effect transistor because of the added degree of freedom to adjust the threshold voltage in an array of 1D devices.

Spatially resolving density-dependent screening around a single charged atom in graphene

NASA Astrophysics Data System (ADS)

Wong, Dillon; Corsetti, Fabiano; Wang, Yang; Brar, Victor W.; Tsai, Hsin-Zon; Wu, Qiong; Kawakami, Roland K.; Zettl, Alex; Mostofi, Arash A.; Lischner, Johannes; Crommie, Michael F.

2017-05-01

Electrons in two-dimensional graphene sheets behave as interacting chiral Dirac fermions and have unique screening properties due to their symmetry and reduced dimensionality. By using a combination of scanning tunneling spectroscopy measurements and theoretical modeling we have characterized how graphene's massless charge carriers screen individual charged calcium atoms. A backgated graphene device configuration has allowed us to directly visualize how the screening length for this system can be tuned with carrier density. Our results provide insight into electron-impurity and electron-electron interactions in a relativistic setting with important consequences for other graphene-based electronic devices.

Towards room-temperature superconductivity in low-dimensional C60 nanoarrays: An ab initio study

NASA Astrophysics Data System (ADS)

Erbahar, Dogan; Liu, Dan; Berber, Savas; Tománek, David

2018-04-01

We propose to raise the critical temperature Tc for superconductivity in doped C60 molecular crystals by increasing the electronic density of states at the Fermi level N (EF) and thus the electron-phonon coupling constant in low-dimensional C60 nanoarrays. We consider both electron and hole dopings and present numerical results for N (EF) , which increases with the decreasing bandwidth of the partly filled hu- and t1 u-derived frontier bands with the decreasing coordination number of C60. Whereas a significant increase in N (EF) occurs in two-dimensional (2D) arrays of doped C60 intercalated in-between graphene layers, we propose that the highest-Tc values approaching room temperature may occur in bundles of nanotubes filled by one-dimensional (1D) arrays of externally doped C60 or La @C60 or in diluted three-dimensional (3D) crystals where quasi-1D arrangements of C60 form percolation paths.

Symmetrized density matrix renormalization group algorithm for low-lying excited states of conjugated carbon systems: Application to 1,12-benzoperylene and polychrysene

NASA Astrophysics Data System (ADS)

Prodhan, Suryoday; Ramasesha, S.

2018-05-01

The symmetry adapted density matrix renormalization group (SDMRG) technique has been an efficient method for studying low-lying eigenstates in one- and quasi-one-dimensional electronic systems. However, the SDMRG method had bottlenecks involving the construction of linearly independent symmetry adapted basis states as the symmetry matrices in the DMRG basis were not sparse. We have developed a modified algorithm to overcome this bottleneck. The new method incorporates end-to-end interchange symmetry (C2) , electron-hole symmetry (J ) , and parity or spin-flip symmetry (P ) in these calculations. The one-to-one correspondence between direct-product basis states in the DMRG Hilbert space for these symmetry operations renders the symmetry matrices in the new basis with maximum sparseness, just one nonzero matrix element per row. Using methods similar to those employed in the exact diagonalization technique for Pariser-Parr-Pople (PPP) models, developed in the 1980s, it is possible to construct orthogonal SDMRG basis states while bypassing the slow step of the Gram-Schmidt orthonormalization procedure. The method together with the PPP model which incorporates long-range electronic correlations is employed to study the correlated excited-state spectra of 1,12-benzoperylene and a narrow mixed graphene nanoribbon with a chrysene molecule as the building unit, comprising both zigzag and cove-edge structures.

Tight-Binding Study of Polarons in Two-Dimensional Systems: Implications for Organic Field-Effect Transistor Materials

NASA Astrophysics Data System (ADS)

Lei, Jie

2011-03-01

In order to understand the electronic and transport properties of organic field-effect transistor (FET) materials, we theoretically studied the polarons in two-dimensional systems using a tight-binding model with the Holstein type and Su--Schrieffer--Heeger type electron--lattice couplings. By numerical calculations, it was found that a carrier accepts four kinds of localization, which are named the point polaron, two-dimensional polaron, one-dimensional polaron, and the extended state. The degree of localization is sensitive to the following parameters in the model: the strength and type of electron--lattice couplings, and the signs and relative magnitudes of transfer integrals. When a parameter set for a single-crystal phase of pentacene is applied within the Holstein model, a considerably delocalized hole polaron is found, consistent with the bandlike transport mechanism.

Temperature Dependence of the Spin-Hall Conductivity of a Two-Dimensional Impure Rashba Electron Gas in the Presence of Electron-Phonon and Electron-Electron Interactions

NASA Astrophysics Data System (ADS)

Yavari, H.; Mokhtari, M.; Bayervand, A.

2015-03-01

Based on Kubo's linear response formalism, temperature dependence of the spin-Hall conductivity of a two-dimensional impure (magnetic and nonmagnetic impurities) Rashba electron gas in the presence of electron-electron and electron-phonon interactions is analyzed theoretically. We will show that the temperature dependence of the spin-Hall conductivity is determined by the relaxation rates due to these interactions. At low temperature, the elastic lifetimes ( and are determined by magnetic and nonmagnetic impurity concentrations which are independent of the temperature, while the inelastic lifetimes ( and related to the electron-electron and electron-phonon interactions, decrease when the temperature increases. We will also show that since the spin-Hall conductivity is sensitive to temperature, we can distinguish the intrinsic and extrinsic contributions.

Magnetotransport in two dimensional electron systems under microwave excitation and in highly oriented pyrolytic graphite

NASA Astrophysics Data System (ADS)

Ramanayaka, Aruna N.

This thesis consists of two parts. The first part considers the effect of microwave radiation on magnetotransport in high quality GaAs/AlGaAs heterostructure two dimensional electron systems. The effect of microwave (MW) radiation on electron temperature was studied by investigating the amplitude of the Shubnikov de Haas (SdH) oscillations in a regime where the cyclotron frequency o c and the MW angular frequency o satisfy 2o ≤ o c ≤ 3.5o. The results indicate negligible electron heating under modest MW photoexcitation, in agreement with theoretical predictions. Next, the effect of the polarization direction of the linearly polarized MWs on the MW induced magnetoresistance oscillation amplitude was investigated. The results demonstrate the first indications of polarization dependence of MW induced magnetoresistance oscillations. In the second part, experiments on the magnetotransport of three dimensional highly oriented pyrolytic graphite (HOPG) reveal a non-zero Berry phase for HOPG. Furthermore, a novel phase relation between oscillatory magneto- and Hall- resistances was discovered from the studies of the HOPG specimen. INDEX WORDS: Two dimensional electron systems, Magnetoresistance, Microwave induced magnetoresistance oscillations, Graphite, Quantum Hall effect, Hall effect, Resistivity rule, Shubnikov de Haas effect, Shubnikov de Haas oscillation.

Observation of the magnetic flux and three-dimensional structure of skyrmion lattices by electron holography.

PubMed

Park, Hyun Soon; Yu, Xiuzhen; Aizawa, Shinji; Tanigaki, Toshiaki; Akashi, Tetsuya; Takahashi, Yoshio; Matsuda, Tsuyoshi; Kanazawa, Naoya; Onose, Yoshinori; Shindo, Daisuke; Tonomura, Akira; Tokura, Yoshinori

2014-05-01

Skyrmions are nanoscale spin textures that are viewed as promising candidates as information carriers in future spintronic devices. Skyrmions have been observed using neutron scattering and microscopy techniques. Real-space imaging using electrons is a straightforward way to interpret spin configurations by detecting the phase shifts due to electromagnetic fields. Here, we report the first observation by electron holography of the magnetic flux and the three-dimensional spin configuration of a skyrmion lattice in Fe(0.5)Co(0.5)Si thin samples. The magnetic flux inside and outside a skyrmion was directly visualized and the handedness of the magnetic flux flow was found to be dependent on the direction of the applied magnetic field. The electron phase shifts φ in the helical and skyrmion phases were determined using samples with a stepped thickness t (from 55 nm to 510 nm), revealing a linear relationship (φ = 0.00173 t). The phase measurements were used to estimate the three-dimensional structures of both the helical and skyrmion phases, demonstrating that electron holography is a useful tool for studying complex magnetic structures and for three-dimensional, real-space mapping of magnetic fields.

Category inference as a function of correlational structure, category discriminability, and number of available cues.

PubMed

Lancaster, Matthew E; Shelhamer, Ryan; Homa, Donald

2013-04-01

Two experiments investigated category inference when categories were composed of correlated or uncorrelated dimensions and the categories overlapped minimally or moderately. When the categories minimally overlapped, the dimensions were strongly correlated with the category label. Following a classification learning phase, subsequent transfer required the selection of either a category label or a feature when one, two, or three features were missing. Experiments 1 and 2 differed primarily in the number of learning blocks prior to transfer. In each experiment, the inference of the category label or category feature was influenced by both dimensional and category correlations, as well as their interaction. The number of cues available at test impacted performance more when the dimensional correlations were zero and category overlap was high. However, a minimal number of cues were sufficient to produce high levels of inference when the dimensions were highly correlated; additional cues had a positive but reduced impact, even when overlap was high. Subjects were generally more accurate in inferring the category label than a category feature regardless of dimensional correlation, category overlap, or number of cues available at test. Whether the category label functioned as a special feature or not was critically dependent upon these embedded correlations, with feature inference driven more strongly by dimensional correlations.

Low-dimensional systems: quantum size effects and electronic properties of semiconductor microcrystallites (zero-dimensional systems) and some quasi-two-dimensional systems

NASA Astrophysics Data System (ADS)

Yoffe, A. D.

2002-03-01

This review is concerned with quantum confinement effects in low-dimensional semiconductor systems. The emphasis is on the optical properties, including luminescence, of nanometre-sized microcrystallites, also referred to as zerodimensional systems. There is some discussion on certain of the two-dimensional systems, such as thin films and layer structures. The increase in energy of excitation peaks (blue shift) as the radius R of a microcrystallite is reduced is treated theoretically, and experimental data when they are available are used to assess the reliability of the different models that have been used. These experiments normally make use of microcrystallites dispersed in a large-bandgap matrix such as glass, rocksalt, polymers, zeolites or liquids. Exciton binding energies Eb are larger than for bulk semiconductors, and oscillator strengths are higher for the microcrystallites. The regimes of direct interest are as follows. Firstly there is the so-called weak-confinement regime where R is greater than the bulk exciton Bohr radius aB. Experimentally, semiconductors such as CuCl with aB , 7 Å, are suitable for study in this case. Secondly there is the moderate-confinement regime, where R , aB, and ah < R < ae, ah and ae being the hole and electron Bohr radii, respectively. Finally there is the strong-confinement regime, with R < aB, and R < ah, ae. For this case we are concerned with a ladder of discrete energy levels, as in molecular systems, rather than energy bands. The electrons and holes are treated as independent particles, and for excited states we refer to electron-hole pairs rather than excitons. Suitable materials for investigation in this regime are the II-VI semiconductors, and also GaAs and Ge, for which aB is relatively large. Although a number of different theoretical models have been used, none can be described as completely first-principles calculations, and there is room for improvement on this aspect. However, useful expressions have been developed by Brus and by Lippens and Lannoo, giving the energy of excited states as a function of R, in terms of the bulk energy gap, kinetic energy, Coulomb energy and correlation energy. Other phenomena discussed are firstly biexciton formation by the use of high intensity laser beams and secondly nonlinear optical effects. Strong nonlinearities and short decay times for excited states have been predicted, and the models developed cover both the resonant and the non-resonant cases. The possibility of using microcrystallites embedded at reasonable concentrations in a glass matrix in the field of optical communications and optical switching is also considered.