2FHL: The Second Catalog of Hard Fermi-LAT Sources

DOE PAGES

Ackermann, M.; Ajello, M.; Atwood, W. B.; ...

2016-01-14

We present a catalog of sources detected above 50 GeV by the Fermi-Large Area Telescope (LAT) in 80 months of data. The newly delivered Pass 8 event-level analysis allows the detection and characterization of sources in the 50 GeV–2TeV energy range. In this energy band, Fermi - LAT has detected 360 sources, which constitute the second catalog of hard Fermi -LAT sources (2FHL). The improved angular resolution enables the precise localization of point sources (~1.'7 radius at 68 % C. L.) and the detection and characterization of spatially extended sources. We find that 86% of the sources can be associatedmore » with counterparts at other wavelengths, of which the majority (75%) are active galactic nuclei and the rest (11%) are Galactic sources. Only 25% of the 2FHL sources have been previously detected by Cherenkov telescopes, implying that the 2FHL provides a reservoir of candidates to be followed up at very high energies. This work closes the energy gap between the observations performed at GeV energies by Fermi -LAT on orbit and the observations performed at higher energies by Cherenkov telescopes from the ground.« less

2FHL- The Second Catalog of Hard Fermi-LAT Sources

NASA Technical Reports Server (NTRS)

Ackermann, M.; Ajello, M.; Atwood, W. B.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Gonzalez, J. Becerra; Bellazzini, R.; Bissaldi, E.;

2FHL: The Second Catalog of Hard Fermi-LAT Sources

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

Ackermann, M.; Ajello, M.; Atwood, W. B.

We present a catalog of sources detected above 50 GeV by the Fermi-Large Area Telescope (LAT) in 80 months of data. The newly delivered Pass 8 event-level analysis allows the detection and characterization of sources in the 50 GeV–2TeV energy range. In this energy band, Fermi - LAT has detected 360 sources, which constitute the second catalog of hard Fermi -LAT sources (2FHL). The improved angular resolution enables the precise localization of point sources (~1.'7 radius at 68 % C. L.) and the detection and characterization of spatially extended sources. We find that 86% of the sources can be associatedmore » with counterparts at other wavelengths, of which the majority (75%) are active galactic nuclei and the rest (11%) are Galactic sources. Only 25% of the 2FHL sources have been previously detected by Cherenkov telescopes, implying that the 2FHL provides a reservoir of candidates to be followed up at very high energies. This work closes the energy gap between the observations performed at GeV energies by Fermi -LAT on orbit and the observations performed at higher energies by Cherenkov telescopes from the ground.« less

Non-Fermi glasses: fractionalizing electrons at finite energy density

NASA Astrophysics Data System (ADS)

Parameswaran, Siddharth; Gopalakrishnan, Sarang

Non-Fermi liquids are metals that cannot be adiabatically deformed into free fermion states. We argue for the existence of ``non-Fermi glasses,'' which are phases of interacting disordered fermions that are fully many-body localized, yet cannot be deformed into an Anderson insulator without an eigenstate phase transition. We explore the properties of such non-Fermi glasses, focusing on a specific solvable example. At high temperature, non-Fermi glasses have qualitatively similar spectral features to Anderson insulators. We identify a diagnostic, based on ratios of correlation functions, that sharply distinguishes between the two phases even at infinite temperature. We argue that our results and diagnostic should generically apply to the high-temperature behavior of the many-body localized descendants of fractionalized phases. S.A.P. is supported by NSF Grant DMR-1455366 and a UC President's Research Catalyst Award CA-15-327861, and S.G. by the Burke Institute at Caltech.

Chandra and Swift Observations of Unidentified Fermi-LAT Objects

NASA Astrophysics Data System (ADS)

Donato, Davide; Cheung, T.; Gehrels, N.

2010-03-01

In the last year we targeted some of the unidentified Fermi-LAT objects (UFOs) at high Galactic latitude with Chandra and Swift in order to determine the basic properties (positions, fluxes, hardness ratios) of all X-ray sources within the Fermi-LAT localization circles. These satellites enable us to detect the X-ray conterparts with a flux limit that is at least an order of magnitude lower than achieved in extant RASS data and to further follow-up at other wavelengths, with the ultimate goal to reveal the nature of these enigmatic gamma-ray sources. Here we present the results obtained with 5 Chandra pointings of high Galactic latitude UFOs in the Fermi-LAT 3-months bright source list. The association of detected X-ray sources within the improved 11-months Fermi-LAT localization circles with available optical and radio observations is discussed.

Characteristics of dielectric properties and conduction mechanism of TlInS2:Cu single crystals

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Ali, H. A. M.; El-Zaidia, E. F. M.

2013-12-01

Single crystals of TlInS2:Cu were grown by the modified Bridgman method. The dielectric behavior of TlInS2:Cu was investigated using the impedance spectroscopy technique. The real (ε1), imaginary (ε2) parts of complex dielectric permittivity and ac conductivity were measured in the frequency range (42-2×105) Hz with a variation of temperature in the range from 291 K to 483 K. The impedance data were presented in Nyquist diagrams for different temperatures. The frequency dependence of σtot (ω) follows the Jonscher's universal dynamic law with the relation σtot (ω)=σdc+Aωs, (where s is the frequency exponent). The mechanism of the ac charge transport across the layers of TlInS2:Cu single crystals was referred to the hopping over localized states near the Fermi level. The examined system exhibits temperature dependence of σac (ω), which showed a linear increase with the increase in temperature at different frequencies. Some parameters were calculated as: the density of localized states near the Fermi level, NF, the average time of charge carrier hopping between localized states, τ, and the average hopping distance, R.

On the important role of the anti-Jahn-Teller effect in underdoped cuprate superconductors

NASA Astrophysics Data System (ADS)

Kamimura, Hiroshi; Matsuno, Shunichi; Mizokawa, Takashi; Sasaoka, Kenji; Shiraishi, Kenji; Ushio, Hideki

2013-04-01

In this paper it is shown that the "anti-Jahn-Teller effect" plays an essential role in giving rise to a small Fermi surface of Fermi pockets above Tc and d-wave superconductivity below Tc in underdoped cuprates. In the first part of the present paper, we review the latest developments of the model proposed by Kamimura and Suwa, which bears important characteristics born from the interplay of Jahn-Teller Physics and Mott Physics. It is shown that the feature of Fermi surfaces in underdoped LSCO is the Fermi pockets in the nodal region constructed by doped holes under the coexistence of a metallic state and of the local antiferromagnetic order. In the antinodal region in the momentum space, there are no Fermi surfaces. Then it is discussed that the phonon-involved mechanism based on the Kamimura-Suwa model leads to the d-wave superconductivity. In particular, it is shown that the origin of strong electron-phonon interactions in cuprates is due to the anti-Jahn-Teller effect. In the second part a recent theoretical result on the energy distribution curves (EDCs) of angle-resolved photoemission spectroscopy (ARPES) below Tc is discussed. It is shown that the feature of ARPES profiles of underdoped cuprates consists of a coherent peak in the nodal region and the real transitions of photoexcited electrons from occupied states below the Fermi level to a free-electron state above the vacuum level in the antinodal region, where the latter transitions form a broad hump. From this feature, the origin of the two distinct gaps observed by ARPES is elucidated without introducing the concept of the pseudogap. Finally, a remark is made on the phase diagram of underdoped cuprates.

Evidence for carrier localization in the pseudogap state of cuprate superconductors from coherent quench experiments

PubMed Central

Madan, I.; Kurosawa, T.; Toda, Y.; Oda, M.; Mertelj, T.; Mihailovic, D.

2015-01-01

A ‘pseudogap' was introduced by Mott to describe a state of matter that has a minimum in the density of states at the Fermi level, deep enough for states to become localized. It can arise either from Coulomb repulsion between electrons, and/or incipient charge or spin order. Here we employ ultrafast spectroscopy to study dynamical properties of the normal to pseudogap state transition in the prototype high-temperature superconductor Bi2Sr2CaCu2O8+δ. We perform a systematic temperature and doping dependence study of the pseudogap photodestruction and recovery in coherent quench experiments, revealing marked absence of critical behaviour of the elementary excitations, which implies an absence of collective electronic ordering beyond a few coherence lengths on short timescales. The data imply ultrafast carrier localization into a textured polaronic state arising from a competing Coulomb interaction and lattice strain, enhanced by a Fermi surface instability. PMID:25891310

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

Pederson, Mark R.; Baruah, Tunna; Basurto, Luis

We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C{sub 60}, and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexitymore » of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C{sub 60} molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.« less

Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules

NASA Astrophysics Data System (ADS)

Pederson, Mark R.; Baruah, Tunna; Kao, Der-you; Basurto, Luis

2016-04-01

We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C60, and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexity of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C60 molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.

Localization of massless Dirac particles via spatial modulations of the Fermi velocity

NASA Astrophysics Data System (ADS)

Downing, C. A.; Portnoi, M. E.

2017-08-01

The electrons found in Dirac materials are notorious for being difficult to manipulate due to the Klein phenomenon and absence of backscattering. Here we investigate how spatial modulations of the Fermi velocity in two-dimensional Dirac materials can give rise to localization effects, with either full (zero-dimensional) confinement or partial (one-dimensional) confinement possible depending on the geometry of the velocity modulation. We present several exactly solvable models illustrating the nature of the bound states which arise, revealing how the gradient of the Fermi velocity is crucial for determining fundamental properties of the bound states such as the zero-point energy. We discuss the implications for guiding electronic waves in few-mode waveguides formed by Fermi velocity modulation.

Fractionalized Fermi liquids and exotic superconductivity in the Kitaev-Kondo lattice

NASA Astrophysics Data System (ADS)

Seifert, Urban F. P.; Meng, Tobias; Vojta, Matthias

2018-02-01

Fractionalized Fermi liquids (FL*) have been introduced as non-Fermi-liquid metallic phases, characterized by coexisting electron-like charge carriers and local moments which form a fractionalized spin liquid. Here we investigate a Kondo lattice model on the honeycomb lattice with Kitaev interactions among the local moments, a concrete model hosting FL* phases based on Kitaev's Z2 spin liquid. We characterize the FL* phases via perturbation theory, and we employ a Majorana-fermion mean-field theory to map out the full phase diagram. Most remarkably we find nematic triplet superconducting phases which mask the quantum phase transition between fractionalized and conventional Fermi liquid phases. Their pairing structure is inherited from the Kitaev spin liquid; i.e., superconductivity is driven by Majorana glue.

Shells, orbit bifurcations, and symmetry restorations in Fermi systems

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

Magner, A. G., E-mail: magner@kinr.kiev.ua; Koliesnik, M. V.; Arita, K.

The periodic-orbit theory based on the improved stationary-phase method within the phase-space path integral approach is presented for the semiclassical description of the nuclear shell structure, concerning themain topics of the fruitful activity ofV.G. Soloviev. We apply this theory to study bifurcations and symmetry breaking phenomena in a radial power-law potential which is close to the realistic Woods–Saxon one up to about the Fermi energy. Using the realistic parametrization of nuclear shapes we explain the origin of the double-humped fission barrier and the asymmetry in the fission isomer shapes by the bifurcations of periodic orbits. The semiclassical origin of themore » oblate–prolate shape asymmetry and tetrahedral shapes is also suggested within the improved periodic-orbit approach. The enhancement of shell structures at some surface diffuseness and deformation parameters of such shapes are explained by existence of the simple local bifurcations and new non-local bridge-orbit bifurcations in integrable and partially integrable Fermi-systems. We obtained good agreement between the semiclassical and quantum shell-structure components of the level density and energy for several surface diffuseness and deformation parameters of the potentials, including their symmetry breaking and bifurcation values.« less

Two-color Fermi-liquid theory for transport through a multilevel Kondo impurity

NASA Astrophysics Data System (ADS)

Karki, D. B.; Mora, Christophe; von Delft, Jan; Kiselev, Mikhail N.

2018-05-01

We consider a quantum dot with K ≥2 orbital levels occupied by two electrons connected to two electric terminals. The generic model is given by a multilevel Anderson Hamiltonian. The weak-coupling theory at the particle-hole symmetric point is governed by a two-channel S =1 Kondo model characterized by intrinsic channels asymmetry. Based on a conformal field theory approach we derived an effective Hamiltonian at a strong-coupling fixed point. The Hamiltonian capturing the low-energy physics of a two-stage Kondo screening represents the quantum impurity by a two-color local Fermi liquid. Using nonequilibrium (Keldysh) perturbation theory around the strong-coupling fixed point we analyze the transport properties of the model at finite temperature, Zeeman magnetic field, and source-drain voltage applied across the quantum dot. We compute the Fermi-liquid transport constants and discuss different universality classes associated with emergent symmetries.

Detection of a Fermi-level crossing in Si(557)-Au with inverse photoemission

NASA Astrophysics Data System (ADS)

Lipton-Duffin, J. A.; MacLeod, J. M.; McLean, A. B.

2006-06-01

The unoccupied energy bands of the quasi-one-dimensional (1D) Si(557)-Au system have been studied with momentum-resolved inverse photoemission. A band is found that lies (0.4±0.4)eV above the Fermi level at the center of the surface Brillouin zone (Γ¯) . It disperses to higher binding energy, along the Γ Kmacr direction, and crosses the Fermi level at k‖=0.5±0.1Å-1 . The corresponding direction in real space is parallel to both the rows of silicon adatoms and the rows of embedded gold atoms that are distinctive features of this surface reconstruction. The location of the crossing is in good agreement with previously published photoemission data [Altmann , Phys. Rev. B 64, 035406 (2001); Ahn , Phys. Rev. Lett. 91, 196403 (2003)], where two closely spaced bands were found to disperse from the Kmacr zone boundary to lower binding energy and then cross the Fermi level. In addition to the band mentioned above, a band was found that has parabolic dispersion along Γ Kmacr , the direction that is parallel to the rows of embedded gold atoms. The band minimum for the parabolic band lies (0.8±0.4)eV below the vacuum level and it has an effective mass m*=(1.0±0.1)me , where me is the free electron mass. Perpendicular to the rows of gold atoms, as expected for a state with quasi-1D symmetry, it has flat dispersion. This band may be an image state resonance, overlapping the silicon conduction band continuum, and it is spatially localized to the edge of the silicon terraces.

Electronic structure of a laterally graded ZrO2-TiO2 film on Si(100) prepared by metal-organic chemical vapor deposition in ultrahigh vacuum

NASA Astrophysics Data System (ADS)

Richter, J. H.; Karlsson, P. G.; Sandell, A.

2008-05-01

A TiO2-ZrO2 film with laterally graded stoichiometry has been prepared by metal-organic chemical vapor deposition in ultrahigh vacuum. The film was characterized in situ using synchrotron radiation photoelectron spectroscopy (PES) and x-ray absorption spectroscopy. PES depth profiling clearly shows that Ti ions segregate toward the surface region when mixed with ZrO2. The binding energy of the ZrO2 electronic levels is constant with respect to the local vacuum level. The binding energy of the TiO2 electronic levels is aligned to the Fermi level down to a Ti /Zr ratio of about 0.5. At a Ti /Zr ratio between 0.1 and 0.5, the TiO2 related electronic levels become aligned to the local vacuum level. The addition of small amounts of TiO2 to ZrO2 results in a ZrO2 band alignment relative to the Fermi level that is less asymmetric than for pure ZrO2. The band edge positions shift by -0.6eV for a Ti /Zr ratio of 0.03. This is explained in terms of an increase in the work function when adding TiO2, an effect that becomes emphasized by Ti surface segregation.

Solid state cloaking for electrical charge carrier mobility control

DOEpatents

Zebarjadi, Mona; Liao, Bolin; Esfarjani, Keivan; Chen, Gang

2015-07-07

An electrical mobility-controlled material includes a solid state host material having a controllable Fermi energy level and electrical charge carriers with a charge carrier mobility. At least one Fermi level energy at which a peak in charge carrier mobility is to occur is prespecified for the host material. A plurality of particles are distributed in the host material, with at least one particle disposed with an effective mass and a radius that minimize scattering of the electrical charge carriers for the at least one prespecified Fermi level energy of peak charge carrier mobility. The minimized scattering of electrical charge carriers produces the peak charge carrier mobility only at the at least one prespecified Fermi level energy, set by the particle effective mass and radius, the charge carrier mobility being less than the peak charge carrier mobility at Fermi level energies other than the at least one prespecified Fermi level energy.

Fermi level dependence of hydrogen diffusivity in GaN

NASA Astrophysics Data System (ADS)

Polyakov, A. Y.; Smirnov, N. B.; Pearton, S. J.; Ren, F.; Theys, B.; Jomard, F.; Teukam, Z.; Dmitriev, V. A.; Nikolaev, A. E.; Usikov, A. S.; Nikitina, I. P.

2001-09-01

Hydrogen diffusion studies were performed in GaN samples with different Fermi level positions. It is shown that, at 350 °C, hydrogen diffusion is quite fast in heavily Mg doped p-type material with the Fermi level close to Ev+0.15 eV, considerably slower in high-resistivity p-GaN(Zn) with the Fermi level Ev+0.9 eV, while for conducting and semi-insulating n-GaN samples with the Fermi level in the upper half of the band gap no measurable hydrogen diffusion could be detected. For these latter samples it is shown that higher diffusion temperature of 500 °C and longer times (50 h) are necessary to incorporate hydrogen to appreciable depth. These findings are in line with previously published theoretical predictions of the dependence of hydrogen interstitials formation in GaN on the Fermi level position.

Field-induced strain degradation of AlGaN/GaN high electron mobility transistors on a nanometer scale

NASA Astrophysics Data System (ADS)

Lin, Chung-Han; Doutt, D. R.; Mishra, U. K.; Merz, T. A.; Brillson, L. J.

2010-11-01

Nanoscale Kelvin probe force microscopy and depth-resolved cathodoluminescence spectroscopy reveal an electronic defect evolution inside operating AlGaN/GaN high electron mobility transistors with degradation under electric-field-induced stress. Off-state electrical stress results in micron-scale areas within the extrinsic drain expanding and decreasing in electric potential, midgap defects increasing by orders-of-magnitude at the AlGaN layer, and local Fermi levels lowering as gate-drain voltages increase above a characteristic stress threshold. The pronounced onset of defect formation, Fermi level movement, and transistor degradation at the threshold gate-drain voltage of J. A. del Alamo and J. Joh [Microelectron. Reliab. 49, 1200 (2009)] is consistent with crystal deformation and supports the inverse piezoelectric model of high electron mobility transistor degradation.

Electrical conductivity and dielectric properties of TlInS2 single crystals

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Youssef, S. B.; Ali, H. A. M.; Hassan, A.

2011-07-01

TlInS2 single crystals were grown by using Bridgman-Stockbauer technique. Measurements of DC conductivity were carried out in parallel (σ//) and perpendicular (σ⊥) directions to the c-axis over a temperature range from 303 to 463 K. The anisotropic behaviour of the electrical conductivity was also detected. AC conductivity and dielectric measurements were studied as a function of both frequency (102-106 Hz) and temperature (297-375 K). The frequency dependence of the AC conductivity revealed that σac(ω) obeys the universal law: σac(ω) = Aωs. The mechanism of the ac charge transport across the layers of TlInS2 single crystals was referred to the hopping over localized states near the Fermi level in the frequency range >3.5 × 103 Hz. The temperature dependence of σac(ω) for TlInS2 showed that σac is thermally activated process. Both of ɛ1 and ɛ2 decrease by increasing frequency and increase by increasing temperature. Some parameters were calculated as: the density of localized states near the Fermi level NF = 1.5 × 1020 eV-1 cm-3, the average time of charge carrier hoping between localized states τ = 3.79 μs and the average hopping distance R = 6.07 nm.

Anderson localization of electrons in single crystals: LixFe7Se8

PubMed Central

Ying, Tianping; Gu, Yueqiang; Chen, Xiao; Wang, Xinbo; Jin, Shifeng; Zhao, Linlin; Zhang, Wei; Chen, Xiaolong

2016-01-01

Anderson (disorder-induced) localization, proposed more than half a century ago, has inspired numerous efforts to explore the absence of wave diffusions in disordered media. However, the proposed disorder-induced metal-insulator transition (MIT), associated with the nonpropagative electron waves, has hardly been observed in three-dimensional (3D) crystalline materials, let alone single crystals. We report the observation of an MIT in centimeter-size single crystals of LixFe7Se8 induced by lattice disorder. Both specific heat and infrared reflectance measurements reveal the presence of considerable electronic states in the vicinity of the Fermi level when the MIT occurs, suggesting that the transition is not due to Coulomb repulsion mechanism. The 3D variable range hopping regime evidenced by electrical transport measurements at low temperatures indicates the localized nature of the electronic states on the Fermi level. Quantitative analyses of carrier concentration, carrier mobility, and simulated density of states (DOS) fully support that LixFe7Se8 is an Anderson insulator. On the basis of these results, we provide a unified DOS picture to explain all the experimental results, and a schematic diagram for finding other potential Anderson insulators. This material will thus serve as a rich playground for both theoretical and experimental investigations on MITs and disorder-induced phenomena. PMID:26989781

Pseudogap temperature and effects of a harmonic trap in the BCS-BEC crossover regime of an ultracold Fermi gas

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

Tsuchiya, Shunji; Research and Education Center for Natural Sciences, Keio University, 4-1-1 Hiyoshi, Kanagawa 223-8521; CREST

2011-10-15

We theoretically investigate excitation properties in the pseudogap regime of a trapped Fermi gas. Using a combined T-matrix theory with the local density approximation, we calculate strong-coupling corrections to single-particle local density of states (LDOS), as well as the single-particle local spectral weight (LSW). Starting from the superfluid phase transition temperature T{sub c}, we clarify how the pseudogap structures in these quantities disappear with increasing the temperature. As in the case of a uniform Fermi gas, LDOS and LSW give different pseudogap temperatures T{sup *} and T{sup **} at which the pseudogap structures in these quantities completely disappear. Determining T{supmore » *} and T{sup **} over the entire BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein condensation) crossover region, we identify the pseudogap regime in the phase diagram with respect to the temperature and the interaction strength. We also show that the so-called back-bending peak recently observed in the photoemission spectra by the JILA group may be explained as an effect of pseudogap phenomenon in the trap center. Since strong pairing fluctuations, spatial inhomogeneity, and finite temperatures are important keys in considering real cold Fermi gases, our results would be useful for clarifying normal-state properties of this strongly interacting Fermi system.« less

Modeling the instability behavior of thin film devices: Fermi Level Pinning

NASA Astrophysics Data System (ADS)

Moeini, Iman; Ahmadpour, Mohammad; Gorji, Nima E.

2018-05-01

We investigate the underlying physics of degradation/recovery of a metal/n-CdTe Schottcky junction under reverse or forward bias stressing conditions. We used Sah-Noyce-Shockley (SNS) theory to investigate if the swept of Fermi level pinning at different levels (under forward/reverse bias) is the origin of change in current-voltage characteristics of the device. This theory is based on Shockley-Read-Hall recombination within the depletion width and takes into account the interface defect levels. Fermi Level Pinning theory was primarily introduced by Ponpon and developed to thin film solar cells by Dharmadasa's group in Sheffield University-UK. The theory suggests that Fermi level pinning at multiple levels occurs due to high concentration of electron-traps or acceptor-like defects at the interface of a Schottky or pn junction and this re-arranges the recombination rate and charage collection. Shift of these levels under stress conditions determines the change in current-voltage characteristics of the cell. This theory was suggested for several device such as metal/n-CdTe, CdS/CdTe, CIGS/CdS or even GaAs solar cells without a modeling approach to clearly explain it's physics. We have applied the strong SNS modeling approach to shed light on Fermi Level Pinning theory. The modeling confirms that change in position of Fermi Level and it's pining in a lower level close to Valence band increases the recombination and reduces the open-circuit voltage. In contrast, Fermi Level pinning close to conduction band strengthens the electric field at the junction which amplifies the carrier collection and boosts the open-circuit voltage. This theory can well explain the stress effect on device characteristics of various solar cells or Schottky junctions by simply finding the right Fermi level pinning position at every specific stress condition.

Electronic structures of U X3 (X =Al , Ga, and In) studied by photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Fujimori, Shin-ichi; Kobata, Masaaki; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Ōnuki, Yoshichika

2017-09-01

The electronic structures of U X3 (X =Al , Ga , and In ) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl3 and UGa3 were revealed experimentally by angle-resolved photoelectron spectroscopy (ARPES), and they were compared with the result of band-structure calculations. The topologies of the Fermi surfaces and the band structures of UAl3 and UGa3 were explained reasonably well by the calculation, although bands near the Fermi level (EF) were renormalized owing to the finite electron correlation effect. The topologies of the Fermi surfaces of UAl3 and UGa3 are very similar to each other, except for some minor differences. Such minor differences in their Fermi surface or electron correlation effect might take an essential role in their different magnetic properties. No significant changes were observed between the ARPES spectra of UGa3 in the paramagnetic and antiferromagnetic phases, suggesting that UGa3 is an itinerant weak antiferromagnet. The effect of chemical pressure on the electronic structures of U X3 compounds was also studied by utilizing the smaller lattice constants of UAl3 and UGa3 than that of UIn3. The valence band spectrum of UIn3 is accompanied by a satellitelike structure on the high-binding-energy side. The core-level spectrum of UIn3 is also qualitatively different from those of UAl3 and UGa3. These findings suggest that the U 5 f states in UIn3 are more localized than those in UAl3 and UGa3.

Fermi-surface reconstruction and the origin of high-temperature superconductivity.

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

Norman, M. R.; Materials Science Division

2010-01-01

In crystalline lattices, the conduction electrons form waves, known as Bloch states, characterized by a momentum vector k. The defining characteristic of metals is the surface in momentum space that separates occupied from unoccupied states. This 'Fermi' surface may seem like an abstract concept, but it can be measured and its shape can have profound consequences for the thermal, electronic, and magnetic properties of a material. In the presence of an external magnetic field B, electrons in a metal spiral around the field direction, and within a semiclassical momentum-space picture, orbit around the Fermi surface. Physical properties, such as themore » magnetization, involve a sum over these orbits, with extremal orbits on the Fermi surface, i.e., orbits with minimal or maximal area, dominating the sum [Fig. 1(a)]. Upon quantization, the resulting electron energy spectrum consists of Landau levels separated by the cyclotron energy, which is proportional to the magnetic field. As the magnetic field causes subsequent Landau levels to cross through the Fermi energy, physical quantities, such as the magnetization or resistivity, oscillate in response. It turns out that the period of these oscillations, when plotted as a function of 1/B, is proportional to the area of the extremal orbit in a plane perpendicular to the applied field [Fig. 1(b)]. The power of the quantum oscillation technique is obvious: By changing the field direction, one can map out the Fermi surface, much like a blind man feeling an elephant. The nature and topology of the Fermi surface in high-T{sub c} cuprates has been debated for many years. Soon after the materials were discovered by Bednorz and Mueller, it was realized that superconductivity was obtained by doping carriers into a parent insulating state. This insulating state appears to be due to strong electronic correlations, and is known as a Mott insulator. In the case of cuprates, the electronic interactions force the electrons on the copper ion lattice into a d{sup 9} configuration, with one localized hole in the 3d shell per copper site. Given the localized nature of this state, it was questioned whether a momentum-space picture was an appropriate description of the physics of the cuprates. In fact, this question relates to a long-standing debate in the physics community: Since the parent state is also an antiferromagnet, one can, in principle, map the Mott insulator to a band insulator with magnetic order. In this 'Slater' picture, Mott physics is less relevant than the magnetism itself. It is therefore unclear which of the two, magnetism or Mott physics, is more fundamentally tied to superconductivity in the cuprates. After twenty years of effort, definitive quantum oscillations that could be used to map the Fermi surface were finally observed in a high-temperature cuprate superconductor in 2007. This and subsequent studies reveal a profound rearrangement of the Fermi surface in underdoped cuprates. The cause of the reconstruction, and its implication for the origin of high-temperature superconductivity, is a subject of active debate.« less

Particle localization, spinor two-valuedness, and Fermi quantization of tensor systems

NASA Technical Reports Server (NTRS)

Reifler, Frank; Morris, Randall

1994-01-01

Recent studies of particle localization shows that square-integrable positive energy bispinor fields in a Minkowski space-time cannot be physically distinguished from constrained tensor fields. In this paper we generalize this result by characterizing all classical tensor systems, which admit Fermi quantization, as those having unitary Lie-Poisson brackets. Examples include Euler's tensor equation for a rigid body and Dirac's equation in tensor form.

First principles molecular dynamics study of nitrogen vacancy complexes in boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-07-01

We present the results of first principles molecular dynamics simulations of nitrogen vacancy complexes in monolayer hexagonal boron nitride. The threshold for local structure reconstruction is found to be sensitive to the presence of a substitutional carbon impurity. We show that activated nitrogen dynamics triggers the annihilation of defects in the layer through formation of Stone-Wales-type structures. The lowest energy state of nitrogen vacancy complexes is negatively charged and spin polarized. Using the divacancy complex, we show that their formation induces spontaneous magnetic moments, which is tunable by electron or hole injection. The Fermi level s-resonant defect state is identified as a unique signature of the ground state of the divacancy complex. Due to their ability to enhance structural cohesion, only the divacancy and the nitrogen vacancy carbon-antisite complexes are able to suppress the Fermi level resonant defect state to open a gap between the conduction and valence bands.

Surface effects in the unitary Fermi gas

NASA Astrophysics Data System (ADS)

Salasnich, L.; Ancilotto, F.; Toigo, F.

2010-01-01

We study the extended Thomas-Fermi (ETF) density functional of the superfluid unitary Fermi gas. This functional includes a gradient term which is essential to describe accurately the surface effects of the system, in particular with a small number of atoms, where the Thomas-Fermi (local density) approximation fails. We find that our ETF functional gives density profiles which are in good agreement with recent Monte Carlo results and also with a more sophisticated superfluid density functional based on Bogoliubov-de Gennes equations. In addition, by using extended hydrodynamics equations of superfluids, we calculate the frequencies of collective surface oscillations of the unitary Fermi gas, showing that quadrupole and octupole modes strongly depend on the number of trapped atoms.

Superconductivity in the two-dimensional Hubbard model

NASA Astrophysics Data System (ADS)

Beenen, J.; Edwards, D. M.

1995-11-01

Quasiparticle bands of the two-dimensional Hubbard model are calculated using the Roth two-pole approximation to the one-particle Green's function. Excellent agreement is obtained with recent Monte Carlo calculations, including an anomalous volume of the Fermi surface near half-filling, which can possibly be explained in terms of a breakdown of Fermi liquid theory. The calculated bands are very flat around the (π,0) points of the Brillouin zone in agreement with photoemission measurements of cuprate superconductors. With doping there is a shift in spectral weight from the upper band to the lower band. The Roth method is extended to deal with superconductivity within a four-pole approximation allowing electron-hole mixing. It is shown that triplet p-wave pairing never occurs. A self-consistent solution with singlet dx2-y2-wave pairing is found and optimal doping occurs when the van Hove singularity, corresponding to the flat band part, lies at the Fermi level. Nearest-neighbor antiferromagnetic correlations play an important role in flattening the bands near the Fermi level and in favoring superconductivity. However, the mechanism for superconductivity is a local one, in contrast to spin-fluctuation exchange models. For reasonable values of the hopping parameter the transition temperature Tc is in the range 10-100 K. The optimum doping δc lies between 0.14 and 0.25, depending on the ratio U/t. The gap equation has a BCS-like form and 2Δmax/kTc~=4.

Unusual Evolution of the Conduction-Electron State in CexLa1-xB6 from Non-Fermi Liquid to Fermi Liquid

NASA Astrophysics Data System (ADS)

Nakamura, S.; Endo, M.; Yamamoto, H.; Isshiki, T.; Kimura, N.; Aoki, H.; Nojima, T.; Otani, S.; Kunii, S.

2006-12-01

We report unusual evolution of the conduction-electron state in the localized f electron system CexLa1-xB6 from normal electron state to heavy Fermi liquid (FL) state through local FL and non-FL states with increasing Ce concentration and/or with increasing magnetic field. The effective mass of quasiparticle or the coefficient A of T2 term of resistivity is found to increase divergently near the boundary between FL state and non-FL state. The features of the non-FL state are also different from those of the typical non-FL systems previously observed or theoretically predicted.

Screening charge localization at LiNbO{sub 3} surface with Schottky junction

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

Nagata, Takahiro, E-mail: NAGATA.Takahiro@nims.go.jp; Chikyow, Toyohiro; Kitamura, Kenji

2016-04-25

Screening charge localization was demonstrated by using a Schottky contact with LiNbO{sub 3} (LN). A Cr/LN stack structure with a 2 μm diameter hole array penetrating the Cr layer localized the screening charge of LN in the hole, although the Al/LN stack structure exhibited no surface charge localization behavior. X-ray photoelectron spectroscopy revealed that Cr formed a Schottky contact with LN, which prevents the screening charge from escaping from the hole arrays. The screening charge localization was enhanced by inserting SiO{sub 2} between the metal and LN, which moved the position of the Fermi level to mid gap.

Structural phase transition and 5f-electrons localization of PuSe explored by ab initio calculations

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

Cui Shouxin, E-mail: shouxincui@yahoo.co; Feng Wenxia; Hu Haiquan

2010-04-15

An investigation into the structural phase transformation, electronic and optical properties of PuSe under high pressure was conducted by using the full potential linearized augmented plane wave plus local orbitals (FP-LAPW+lo) method, in the presence and in the absence of spin-orbit coupling (SOC). Our results demonstrate that there exists a structural phase transition from rocksalt (B 1) structure to CsCl-type (B 2) structure at the transition pressure of 36.3 GPa (without SOC) and 51.3 GPa (with SOC). The electronic density of states (DOS) for PuSe show that the f-electrons of Pu are more localized and concentrated in a narrow peakmore » near the Fermi level, which is consistent with the experimental studies. The band structure shows that B 1-PuSe is metallic. A pseudogap appears around the Fermi level of the total density of states of B 1 phase PuSe, which may contribute to its stability. The calculated reflectivity R(omega) shows agreement with the available experimental results. Furthermore, the absorption spectrum, refractive index, extinction coefficient, energy-loss spectrum and dielectric function were calculated. The origin of the spectral peaks was interpreted based on the electronic structures. - Abstract: Graphical Abstract Legend (TOC Figure): 5f-electrons are more localized by the analysis of the density of states (SOC). The origin spectra peaks was interpreted based on electronic structures.« less

Electronic properties of graphene and effect of doping on the same

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

Nag, Abhinav, E-mail: abhinavn76@gmail.com; Kumar, Jagdish, E-mail: jagdishphysicist@gmail.com; Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com

2015-05-15

The electronic structure of pure and doped two dimensional crystalline material graphene have been computed and analyzed. Density functional theory has been employed to perform calculations. The electronic exchange and correlations are considered using local density approximation (LDA). The doped material is studied within virtual crystal approximation (VCA) upto 0.15e excess as well as deficient charge per unit cell. Full Potential Linear Augmented Plane Wave basis as implemented in ELK code has been used to perform the calculations. To ensures the monolayer of graphene, distance after which energy is almost constant when interlayer seperation is varied, is taken as separatingmore » distance between the layers. The obtained density of states and band structure is analyzed. Results show that there is zero band gap in undoped graphene and conduction and valence band meets at fermi level at symmetry point K. PDOS graph shows that near the fermi level the main contribution is due to 2p{sub z} electrons. By using VCA, calculations for doped graphene are done and the results for doped graphene are compared with undoped graphene. We found that by electron or hole doping, the point where conduction and valence bands meet can shift below or above the fermi level. The shift in bands seems almost as per rigid band model upto doping concentration studied.« less

Applications of Fermi-Lowdin-Orbital Self-Interaction Correction Scheme to Organic Systems

NASA Astrophysics Data System (ADS)

Baruah, Tunna; Kao, Der-You; Yamamoto, Yoh

Recent progress in treating the self-interaction errors by means of local, Lowdin-orthogonalized Fermi Orbitals offers a promising route to study the effect of self-interaction errors in the electronic structure of molecules. The Fermi orbitals depend on the location of the electronic positions, called as Fermi orbital descriptors. One advantage of using the Fermi orbitals is that the corrected Hamiltonian is unitarily invariant. Minimization of the corrected energies leads to an optimized set of centroid positions. Here we discuss the applications of this method to various systems from constituent atoms to several medium size molecules such as Mg-porphyrin, C60, pentacene etc. The applications to the ionic systems will also be discussed. De-SC0002168, NSF-DMR 125302.

Coherent Transport in a Linear Triple Quantum Dot Made from a Pure-Phase InAs Nanowire.

PubMed

Wang, Ji-Yin; Huang, Shaoyun; Huang, Guang-Yao; Pan, Dong; Zhao, Jianhua; Xu, H Q

2017-07-12

A highly tunable linear triple quantum dot (TQD) device is realized in a single-crystalline pure-phase InAs nanowire using a local finger gate technique. The electrical measurements show that the charge stability diagram of the TQD can be represented by three kinds of current lines of different slopes and a simulation performed based on a capacitance matrix model confirms the experiment. We show that each current line observable in the charge stability diagram is associated with a case where a QD is on resonance with the Fermi level of the source and drain reservoirs. At a triple point where two current lines of different slopes move together but show anticrossing, two QDs are on resonance with the Fermi level of the reservoirs. We demonstrate that an energetically degenerated quadruple point at which all three QDs are on resonance with the Fermi level of the reservoirs can be built by moving two separated triple points together via sophistically tuning of energy levels in the three QDs. We also demonstrate the achievement of direct coherent electron transfer between the two remote QDs in the TQD, realizing a long-distance coherent quantum bus operation. Such a long-distance coherent coupling could be used to investigate coherent spin teleportation and superexchange effects and to construct a spin qubit with an improved long coherent time and with spin state detection solely by sensing the charge states.

Fermi edge singularity in a tunnel junction

NASA Astrophysics Data System (ADS)

Zhang, Jin; Sherkunov, Yury; D'Ambrumenil, Nicholas; Muzykantskii, Boris

2010-03-01

We present results on the non-equilibrium Fermi edge singularity (FES) problem in tunnel junctions. The FES, which is present in a Fermi gas subject to any sudden change of potential, manifests itself in the final state many body interaction between the electrons in the leads [1]. We establish a connection between the FES problem in a tunnel junction and the Full Counting Statistics (FCS) for the device [2]. We find that the exact profile of the changing potential (or the profile for the barrier opening and closing in the tunnel junction case) strongly affects the overlap between the initial and final state of the Fermi gas. We factorize the contribution to the FES into two approximately independent terms: one is connected with the short time opening process while the other is concerned with the long time asymptotic effect, namely the Anderson orthogonality catastrophe. We consider applications to a localized level coupled through a tunnel barrier to a 1D lead driven out of equilibrium [3]. References: [1] G. Mahan, Phys. Rev. 163, 1612 (1967); P. Nozieres and C. T. De Dominicis, Phys. Rev. 178, 1079 (1969); P. Anderson, Phys. Rev. Lett. 18, 1049 (1967) [2] J. Zhang, Y. Sherkunov, N. d'Ambrumenil, and B. Muzykantskii, ArXiv:0909.3427 [3] D. Abanin and L. Levitov, Phys. Rev. Lett. 94, 186803 (2005)

Spatial modulation of the Fermi level by coherent illumination of undoped GaAs

NASA Astrophysics Data System (ADS)

Nolte, D. D.; Olson, D. H.; Glass, A. M.

1989-11-01

The Fermi level in undoped GaAs has been modulated spatially by optically quenching EL2 defects. The spatial gradient of the Fermi level produces internal electric fields that are much larger than fields generated by thermal diffusion alone. The resulting band structure is equivalent to a periodic modulation-doped p-i-p structure of alternating insulating and p-type layers. The internal fields are detected via the electro-optic effect by the diffraction of a probe laser in a four-wave mixing geometry. The direct control of the Fermi level distinguishes this phenomenon from normal photorefractive behavior and introduces a novel nonlinear optical process.

Observation of an electron band above the Fermi level in FeTe₀.₅₅Se₀.₄₅ from in-situ surface doping

DOE PAGES

Zhang, P.; Richard, P.; Xu, N.; ...

2014-10-27

We used in-situ potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe₀.₅₅Se₀.₄₅. The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily-electron-doped KFe₂₋ xSe₂ compound.

Fermi surface properties of paramagnetic NpCd11 with a large unit cell

NASA Astrophysics Data System (ADS)

Homma, Yoshiya; Aoki, Dai; Haga, Yoshinori; Settai, Rikio; Sakai, Hironori; Ikeda, Shugo; Yamamoto, Etsuji; Nakamura, Akio; Shiokawa, Yoshinobu; Takeuchi, Tetsuya; Yamagami, Hiroshi; Ōnuki, Yoshichika

2010-03-01

We succeeded in growing a high-quality single crystal of NpCd11 with the cubic BaHg11-type structure by the Cd-self flux method. The lattice parameter of a = 9.2968(2) Å and crystallographic positions of the atoms were determined by x-ray single-crystal structure analysis. From the results of the magnetic susceptibility and specific heat experiments, this compound is found to be a 5f-localized paramagnet with the singlet ground state in the crystalline electric field (CEF) scheme. Fermi surface properties were measured using the de Haas-van Alphen (dHvA) technique. Long-period oscillations were observed in the dHvA frequency range of 9.1 x 105 to 1.9 x 107 Oe, indicating small cross-sectional areas of Fermi surfaces, which is consistent with a small Brillouin zone based on a large unit cell. From the results of dHvA and magnetoresistance experiments, the Fermi surface of NpCd11 is found to consist of many kinds of closed Fermi surfaces and a multiply-connected-like Fermi surface, although the result of energy band calculations based on the 5f-localized Np3+(5f4) configuration reveals the existence of only closed Fermi surfaces. The corresponding cyclotron effective mass is small, ranging from 0.1 to 0.7 m0, which is consistent with a small electronic specific heat coefficient γ ≅ 10mJ/K2·mol, revealing no hybridization between the 5f electrons and conduction electrons.

FERMI Observations of High-Energy Gamma-Ray Emission from GRB 080825C

DOE PAGES

Abdo, A. A.; Ackermann, M.; Asano, K.; ...

2009-11-24

The Fermi Gamma-ray Space Telescope has opened a new high-energy window in the study of gamma-ray bursts (GRBs). Here in this paper, we present a thorough analysis of GRB 080825C, which triggered the Fermi Gamma-ray Burst Monitor (GBM), and was the first firm detection of a GRB by the Fermi Large Area Telescope (LAT). We discuss the LAT event selections, background estimation, significance calculations, and localization for Fermi GRBs in general and GRB 080825C in particular. We show the results of temporal and time-resolved spectral analysis of the GBM and LAT data. Finally, we also present some theoretical interpretation ofmore » GRB 080825C observations as well as some common features observed in other LAT GRBs.« less

Two-Dimensional Homogeneous Fermi Gases

NASA Astrophysics Data System (ADS)

Hueck, Klaus; Luick, Niclas; Sobirey, Lennart; Siegl, Jonas; Lompe, Thomas; Moritz, Henning

2018-02-01

We report on the experimental realization of homogeneous two-dimensional (2D) Fermi gases trapped in a box potential. In contrast to harmonically trapped gases, these homogeneous 2D systems are ideally suited to probe local as well as nonlocal properties of strongly interacting many-body systems. As a first benchmark experiment, we use a local probe to measure the density of a noninteracting 2D Fermi gas as a function of the chemical potential and find excellent agreement with the corresponding equation of state. We then perform matter wave focusing to extract the momentum distribution of the system and directly observe Pauli blocking in a near unity occupation of momentum states. Finally, we measure the momentum distribution of an interacting homogeneous 2D gas in the crossover between attractively interacting fermions and bosonic dimers.

Effect of density of states peculiarities on Hund's metal behavior

NASA Astrophysics Data System (ADS)

Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I.

2018-03-01

We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model and compare its results to the five-band model with realistic density of states of iron and nickel, showing that the obtained results are more general, provided that the hybridization between states of different symmetry is sufficiently small. We find that quasiparticle damping and the formation of local magnetic moments due to Hund's exchange interaction are enhanced by both the density of states asymmetry, which yields stronger correlated electron or hole excitations, and the larger density of states at the Fermi level, increasing the number of virtual electron-hole excitations. For realistic densities of states, these two factors are often interrelated because the Fermi level is attracted towards peaks of the density of states. We discuss the implication of the obtained results to various substances and compounds, such as transition metals, iron pnictides, and cuprates.

Electronic structure of ZrX2 (X = Se, Te)

NASA Astrophysics Data System (ADS)

Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.

2018-03-01

The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

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

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

DOE PAGES

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; ...

2018-01-31

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

NASA Astrophysics Data System (ADS)

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; Nazarewicz, Witold

2018-02-01

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7 p electronic shell becomes so large (˜10 eV ) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. This effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Classical and quantum localization and delocalization in the Fermi accelerator, kicked rotor and two-sided kicked rotor models

NASA Astrophysics Data System (ADS)

Zaslavsky, M.

1996-06-01

The phenomena of dynamical localization, both classical and quantum, are studied in the Fermi accelerator model. The model consists of two vertical oscillating walls and a ball bouncing between them. The classical localization boundary is calculated in the case of ``sinusoidal velocity transfer'' [A. J. Lichtenberg and M. A. Lieberman, Regular and Stochastic Motion (Springer-Verlag, Berlin, 1983)] on the basis of the analysis of resonances. In the case of the ``sawtooth'' wall velocity we show that the quantum localization is determined by the analytical properties of the canonical transformations to the action and angle coordinates of the unperturbed Hamiltonian, while the existence of the classical localization is determined by the number of continuous derivatives of the distance between the walls with respect to time.

Atomic-scale structural and electronic properties of SrTiO3/GaAs interfaces: A combined STEM-EELS and first-principles study

NASA Astrophysics Data System (ADS)

Hong, Liang; Bhatnagar, Kunal; Droopad, Ravi; Klie, Robert F.; Öǧüt, Serdar

2017-07-01

The electronic properties of epitaxial oxide thin films grown on compound semiconductors are largely determined by the interfacial atomic structure, as well as the thermodynamic conditions during synthesis. Ferroelectric polarization and Fermi-level pinning in SrTiO3 films have been attributed to the presence of oxygen vacancies at the oxide/semiconductor interface. Here, we present scanning transmission electron microscopy (STEM) and electron energy-loss spectroscopy analyses of GaAs films grown on SrTiO3 combined with first-principles calculations to determine the atomic and electronic structures of the SrTiO3/GaAs interfaces. An atomically abrupt SrO/As interface is observed and the interfacial SrO layer is found to be O-deficient. First-principles density functional theory (DFT) calculations show SrO/Ga and Sr/As interfaces are favorable under O-rich and O-poor conditions, respectively. The SrO/Ga interface is reconstructed via the formation of Ga-Ga dimers while the Sr/As interface is abrupt and consistent with the experiment. DFT calculations further reveal that intrinsic two-dimensional electron gas (2DEG) forms in both SrO/Ga and Sr/As interfaces, and the Fermi level is pinned to the localized 2DEG states. Interfacial O vacancies can enhance the 2DEG density while it is possible for Ga/As vacancies to unpin the Fermi level from the 2DEG states.

Structural and electronic properties of AlN(0001) surface under partial N coverage as determined by ab initio approach

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

Strak, Pawel; Sakowski, Konrad; Kempisty, Pawel

2015-09-07

Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi levelmore » is not pinned at the critical value of nitrogen coverage θ{sub N}(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Np{sub z} state. The equilibrium thermodynamic potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorption is molecular with an energy gain of 1.5 eV at a skewed on-top position above an Al surface atom. Electronic states of the admolecule are occupied as in the free molecule, no electron transfer occurs and adsorption of a N{sub 2} molecule does not depend on the Fermi level. The equilibrium pressure of molecular nitrogen above an AlN(0001) surface depends critically on the Fermi level position, being very low and very high for low and high coverage, respectively. From this fact, one can conclude that at typical growth conditions, the Fermi level is not pinned, and the adsorption and incorporation of impurities depend on the position of Fermi level in the bulk.« less

Tip-induced reduction of the resonant tunneling current on semiconductor surfaces.

PubMed

Jelínek, Pavel; Svec, Martin; Pou, Pablo; Perez, Ruben; Cháb, Vladimír

2008-10-24

We report scanning tunneling microscope measurements showing a substantial decrease of the current, almost to zero, on the Si(111)-(7x7) reconstruction in the near-to-contact region under low bias conditions. First principles simulations for the tip-sample interaction and transport calculations show that this effect is driven by the substantial local modification of the atomic and electronic structure of the surface. The chemical reactivity of the adatom dangling bond states that dominate the electronic density of states close to the Fermi level and their spatial localization result in a strong modification of the electronic current.

On the Mechanism of D-Wave High TC Superconductivity by the Interplay of Jahn-Teller Physics and Mott Physics

NASA Astrophysics Data System (ADS)

Ushio, H.; Matsuno, S.; Kamimura, H.

2011-01-01

In the present paper we will discuss two important roles of the interplay of Jahn-Teller physics and Mott physics. One is the small Fermi surface. The "Fermi arcs" observed in ARPES should be one of the edges of small Fermi pockets, based on the Kamimura-Suwa model (K-S model). This prediction is consistent with ARPES results by Tanaka et al. Another is the mechanism of superconductivity in cuprates. This can be explained by the interplay of strong electron-phonon interactions and local AF order. It is shown that the characteristic phase difference of wave functions between up- and down-spin carriers in the presence of the local AF order leads to the superconducting gap of dx2-y2 symmetry even in the phonon-involved mechanism.

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

NASA Astrophysics Data System (ADS)

Debehets, J.; Homm, P.; Menghini, M.; Chambers, S. A.; Marchiori, C.; Heyns, M.; Locquet, J. P.; Seo, J. W.

2018-05-01

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-level pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.

Gamma rays from dark matter subhalos revisited: Refining the predictions and constraints

DOE PAGES

Hooper, Dan; Witte, Samuel J.

2017-04-11

Utilizing data from the ELVIS and Via Lactea-II simulations, we characterize the local dark matter subhalo population, and use this information to refine the predictions for the gamma-ray fluxes arising from annihilating dark matter in this class of objects. We find that the shapes of nearby subhalos are significantly altered by tidal effects, and are generally not well described by NFW density profiles, instead prefering power-law profiles with an exponential cutoff. From the subhalo candidates detected by the Fermi Gamma-Ray Space Telescope, we place limits on the dark matter annihilation cross section that are only modestly weaker than those basedmore » on observations of dwarf galaxies. Furthermore, we also calculate the fraction of observable subhalos that are predicted to be spatially extended at a level potentially discernible to Fermi.« less

Gamma rays from dark matter subhalos revisited: refining the predictions and constraints

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

Hooper, Dan; Witte, Samuel J., E-mail: dhooper@fnal.gov, E-mail: switte@physics.ucla.edu

2017-04-01

Utilizing data from the ELVIS and Via Lactea-II simulations, we characterize the local dark matter subhalo population, and use this information to refine the predictions for the gamma-ray fluxes arising from annihilating dark matter in this class of objects. We find that the shapes of nearby subhalos are significantly altered by tidal effects, and are generally not well described by NFW density profiles, instead prefering power-law profiles with an exponential cutoff. From the subhalo candidates detected by the Fermi Gamma-Ray Space Telescope, we place limits on the dark matter annihilation cross section that are only modestly weaker than those basedmore » on observations of dwarf galaxies. We also calculate the fraction of observable subhalos that are predicted to be spatially extended at a level potentially discernible to Fermi.« less

Gamma rays from dark matter subhalos revisited: Refining the predictions and constraints

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

Hooper, Dan; Witte, Samuel J.

Utilizing data from the ELVIS and Via Lactea-II simulations, we characterize the local dark matter subhalo population, and use this information to refine the predictions for the gamma-ray fluxes arising from annihilating dark matter in this class of objects. We find that the shapes of nearby subhalos are significantly altered by tidal effects, and are generally not well described by NFW density profiles, instead prefering power-law profiles with an exponential cutoff. From the subhalo candidates detected by the Fermi Gamma-Ray Space Telescope, we place limits on the dark matter annihilation cross section that are only modestly weaker than those basedmore » on observations of dwarf galaxies. Furthermore, we also calculate the fraction of observable subhalos that are predicted to be spatially extended at a level potentially discernible to Fermi.« less

Thermoelectric Properties in Fermi Level Tuned Topological Materials (Bi1-xSnx)2Te3

NASA Astrophysics Data System (ADS)

Lin, Chan-Chieh; Shon, Won Hyuk; Rathnam, Lydia; Rhyee, Jong-Soo

2018-03-01

We investigated the thermoelectric properties of Sn-doped (Bi1-xSnx)2Te3 (x = 0, 0.1, 0.3, 0.5, and 0.7%) compounds, which is known as topological insulators. Fermi level tuning by Sn-doping can be justified by the n- to p-type transition with increasing Sn-doping concentration, as confirmed by Seebeck coefficient and Hall coefficient. Near x = 0.3 and 0.5%, the Fermi level resides inside the bulk band gap, resulting in a low Seebeck coefficient and increase of electrical resistivity. The magnetoconductivity with applying magnetic field showed weak antilocalization (WAL) effect for pristine Bi2Te3 while Sn-doped compounds do not follow the WAL behavior of magneto-conductivity, implying that the topological surface Dirac band contribution in magneto-conductivity is suppressed with decreasing the Fermi level by Sn-doping. This research can be applied to the topological composite of p-type/n-type topological materials by Fermi level tuning via Sn-doping in Bi2Te3 compounds.

The Interplanetary Network Supplement to the Fermi GBM Catalog - An AO-2 and AO-3 Guest Investigator Project

NASA Technical Reports Server (NTRS)

Hurley, K.; Briggs, M.; Connaughton, V.; Meegan, C.; von Kienlin, A.; Rau, A.; Zhang, X.; Golenetskii, S.; Aptekar, R.; Mazets, E.;

Contactless electroreflectance study of the Fermi level pinning on GaSb surface in n-type and p-type GaSb Van Hoof structures

NASA Astrophysics Data System (ADS)

Kudrawiec, R.; Nair, H. P.; Latkowska, M.; Misiewicz, J.; Bank, S. R.; Walukiewicz, W.

2012-12-01

Contactless electroreflectance (CER) has been applied to study the Fermi-level position on GaSb surface in n-type and p-type GaSb Van Hoof structures. CER resonances, followed by strong Franz-Keldysh oscillation of various periods, were clearly observed for two series of structures. This period was much wider (i.e., the built-in electric field was much larger) for n-type structures, indicating that the GaSb surface Fermi level pinning position is closer to the valence-band than the conduction-band. From analysis of the built-in electric fields in undoped GaSb layers, it was concluded that on GaSb surface the Fermi-level is located ˜0.2 eV above the valence band.

Electronic structure of PrBa2Cu3O7: A local-spin-density approximation with on-site Coulomb interaction

NASA Astrophysics Data System (ADS)

Biagini, M.; Calandra, C.; Ossicini, Stefano

1995-10-01

Electronic structure calculations based on the local-spin-density approximation (LSDA) fail to reproduce the antiferromagnetic ground state of PrBa2Cu3O7 (PBCO). We have performed linear muffin-tin orbital-atomic sphere approximation calculations, based on the local-spin-density approximation with on-site Coulomb correlation applied to Cu(1) and Cu(2) 3d states. We have found that inclusion of the on-site Coulomb interaction modifies qualitatively the electronic structure of PBCO with respect to the LSDA results, and gives Cu spin moments in good agreement with the experimental values. The Cu(2) upper Hubbard band lies about 1 eV above the Fermi energy, indicating a CuII oxidation state. On the other hand, the Cu(1) upper Hubbard band is located across the Fermi level, which implies an intermediate oxidation state for the Cu(1) ion, between CuI and CuII. The metallic character of the CuO chains is preserved, in agreement with optical reflectivity [K. Takenaka et al., Phys. Rev. B 46, 5833 (1992)] and positron annihilation experiments [L. Hoffmann et al., Phys. Rev. Lett. 71, 4047 (1993)]. These results support the view of an extrinsic origin of the insulating character of PrBa2Cu3O7.

Unified mechanism of the surface Fermi level pinning in III-As nanowires.

PubMed

Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Cirlin, George E; Reznik, Rodion R; Smirnov, Alexander N; Kirilenko, Demid A; Davydov, Valery Yu; Berkovits, Vladimir L

2018-08-03

Fermi level pinning at the oxidized (110) surfaces of III-As nanowires (GaAs, InAs, InGaAs, AlGaAs) is studied. Using scanning gradient Kelvin probe microscopy, we show that the Fermi level at oxidized cleavage surfaces of ternary Al x Ga 1-x As (0 ≤ x ≤ 0.45) and Ga x In 1-x As (0 ≤ x ≤ 1) alloys is pinned at the same position of 4.8 ± 0.1 eV with regard to the vacuum level. The finding implies a unified mechanism of the Fermi level pinning for such surfaces. Further investigation, performed by Raman scattering and photoluminescence spectroscopy, shows that photooxidation of the Al x Ga 1-x As and Ga x In 1-x As nanowires leads to the accumulation of an excess of arsenic on their crystal surfaces which is accompanied by a strong decrease of the band-edge photoluminescence intensity. We conclude that the surface excess arsenic in crystalline or amorphous forms is responsible for the Fermi level pinning at oxidized (110) surfaces of III-As nanowires.

75 FR 24755 - DTE ENERGY; Enrico Fermi Atomic Power Plant Unit 1; Exemption From Certain Low-Level Waste...

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2010-05-05

... NUCLEAR REGULATORY COMMISSION [Docket No. 50-16; NRC-2009-0073] DTE ENERGY; Enrico Fermi Atomic... License No. DPR-9 issued for Enrico Fermi Atomic Power Plant, Unit 1 (Fermi-1), located in Monroe County... undue hazard to life or property. There are no provisions in the Atomic Energy Act (or in any other...

Observation of the Leggett-Rice Effect in a Unitary Fermi Gas

NASA Astrophysics Data System (ADS)

Trotzky, S.; Beattie, S.; Luciuk, C.; Smale, S.; Bardon, A. B.; Enss, T.; Taylor, E.; Zhang, S.; Thywissen, J. H.

2015-01-01

We observe that the diffusive spin current in a strongly interacting degenerate Fermi gas of 40K precesses about the local magnetization. As predicted by Leggett and Rice, precession is observed both in the Ramsey phase of a spin-echo sequence, and in the nonlinearity of the magnetization decay. At unitarity, we measure a Leggett-Rice parameter γ =1.08 (9 ) and a bare transverse spin diffusivity D0⊥=2.3 (4 )ℏ/m for a normal-state gas initialized with full polarization and at one-fifth of the Fermi temperature, where m is the atomic mass. One might expect γ =0 at unitarity, where two-body scattering is purely dissipative. We observe γ →0 as temperature is increased towards the Fermi temperature, consistent with calculations that show the degenerate Fermi sea restores a nonzero γ . Tuning the scattering length a , we find that a sign change in γ occurs in the range 0 <(kFa )-1≲1.3 , where kF is the Fermi momentum. We discuss how γ reveals the effective interaction strength of the gas, such that the sign change in γ indicates a switching of branch between a repulsive and an attractive Fermi gas.

Fermi wave vector for the partially spin-polarized composite-fermion Fermi sea

NASA Astrophysics Data System (ADS)

Balram, Ajit C.; Jain, J. K.

2017-12-01

The fully spin-polarized composite-fermion (CF) Fermi sea at the half-filled lowest Landau level has a Fermi wave vector kF*=√{4 π ρe } , where ρe is the density of electrons or composite fermions, supporting the notion that the interaction between composite fermions can be treated perturbatively. Away from ν =1 /2 , the area is seen to be consistent with kF*=√{4 π ρe } for ν <1 /2 but kF*=√{4 π ρh } for ν >1 /2 , where ρh is the density of holes in the lowest Landau level. This result is consistent with particle-hole symmetry in the lowest Landau level. We investigate in this article the Fermi wave vector of the spin-singlet CF Fermi sea (CFFS) at ν =1 /2 , for which particle-hole symmetry is not a consideration. Using the microscopic CF theory, we find that for the spin-singlet CFFS the Fermi wave vectors for up- and down-spin CFFSs at ν =1 /2 are consistent with kF*↑,↓=√{4 π ρe↑,↓ } , where ρe↑=ρe↓=ρe/2 , which implies that the residual interactions between composite fermions do not cause a nonperturbative correction for spin-singlet CFFS either. Our results suggest the natural conjecture that for arbitrary spin polarization the CF Fermi wave vectors are given by kF*↑=√{4 π ρe↑ } and kF*↓=√{4 π ρe↓ } .

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

NASA Astrophysics Data System (ADS)

Wang, Yi X.; Wu, Q.; Chen, Xiang R.; Geng, Hua Y.

2016-09-01

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium.

Fermi-Level Pinning of Contacted Single-Wall Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Wu, Shi-Yu; Liu, Lei; Jayanthi, Chakram; Guo, Guang-Yu

2004-03-01

Experimental evidences suggest that the Fermi-level of a contacted SWCNT with an energy gap is pinned in the vicinity of either the top of the valence band or the bottom of the conduction band, depending on the work function of the metallic leads (see, for example, E. D. Minot, Yuval Yaish,Vera Sazonova, Ji-Yong Park, Markus Brink, and Paul L. McEuen, Phys. Rev. Lett. 90, 156401 (2003)). This pinning of the Fermi-level may be attributed to the finite length of the contacted SWCNT. In this presentation, we report the result of our study of the pinning of the Fermi-level of a finite SWCNT, using the single π-orbital theory modified by the inclusion of a self-consistent scheme for the determination of charge transfer. We will also discuss the effect of the Fermi-level pinning on the transport properties of a SWCNT with a gap, either intrinsic or induced by a mechanical deformation. This work is supported by the NSF (Grant Nos: DMR-0112824 and ECS-0224114), the U.S. Department of Energy (Grant No: DE-FG02-00ER45832), and the National Science Council of Taiwan.

Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Talk: Equation of State of the Dilute Fermi Gases

NASA Astrophysics Data System (ADS)

Chang, Soon Yong

2008-04-01

In the recent years, dilute Fermi gases have played the center stage role in the many-body physics. The gas of neutral alkali atoms such as Lithium-6 and Potassium-40 can be trapped at temperatures below the Fermi degeneracy. The most relevant feature of these gases is that the interaction is tunable and strongly interacting superfluid can be artificially created. I will discuss the recent progress in understanding the ground state properties of the dilute Fermi gases at different interaction regimes. First, I will present the case of the spin symmetric systems where the Fermi gas can smoothly crossover from the BCS regime to the BEC regime. Then, I will discuss the case of the spin polarized systems, where different quantum phases can occur as a function of the polarization. In the laboratory, the trapped Fermi gas shows spatial dependence of the different quantum phases. This can be understood in the context of the local variation of the chemical potential. I will present the most accurate quantum ab initio results and the relevant experiments.

Electron and positron states in HgBa2CuO4

NASA Astrophysics Data System (ADS)

Barbiellini, B.; Jarlborg, T.

1994-08-01

Local-density-calculations of the electronic structure of HgBa2CuO4 have been performed with the self-consistent linear muffin-tin orbital method. The positron-density distribution and its sensitivity due to different potentials are calculated. The annihilation rates are computed in order to study the chemical bonding and to predict the Fermi-surface signal. Comparisons are made with previous calculations on other high-Tc copper oxides concerning the Fermi-surface properties and electron-positron overlap. We discuss the possibility of observing the Fermi surface associated with the Cu-O planes in positron-annihilation experiments.

{pi} junction and spontaneous current state in a superfluid Fermi gas

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

Kashimura, Takashi; Tsuchiya, Shunji; CREST

2011-07-15

We discuss an idea to realize a spontaneous current in a superfluid Fermi gas. When a polarized Fermi superfluid (N{sub {up_arrow}}>N{sub {down_arrow}}, where N{sub {sigma}} is the number of atoms in the hyperfine state described by pseudospin {sigma}={up_arrow},{down_arrow}) is loaded onto a ring-shaped trap with a weak potential barrier, some excess atoms ({Delta}N=N{sub {up_arrow}}-N{sub {down_arrow}}) are localized around the barrier. As shown in our previous paper [T. Kashimura, S. Tsuchiya, and Y. Ohashi, Phys. Rev. A 82, 033617 (2010)], this polarized potential barrier works as a {pi} junction in the sense that the superfluid order parameter changes its sign acrossmore » the barrier. Because of this, the phase of the superfluid order parameter outside the junction is shown to be twisted by {pi} along the ring, which naturally leads to a circulating supercurrent. While the ordinary supercurrent state is obtained as a metastable state, this spontaneous current state is shown to be more stable than the case with no current. Our results indicate that localized excess atoms would be useful for the manipulation of the superfluid order parameter in cold Fermi gases.« less

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.

Collective modes of a two-dimensional Fermi gas at finite temperature

NASA Astrophysics Data System (ADS)

Mulkerin, Brendan C.; Liu, Xia-Ji; Hu, Hui

2018-05-01

We examine the breathing mode of a strongly interacting two-dimensional Fermi gas and the role of temperature on the anomalous breaking of scale invariance. By calculating the equation of state with different many-body T -matrix theories and the virial expansion, we obtain a hydrodynamic equation of the harmonically trapped Fermi gas (with trapping frequency ω0) through the local density approximation. By solving the hydrodynamic equations, we determine the breathing mode frequencies as a function of interaction strength and temperature. We find that the breathing mode anomaly depends sensitively on both interaction strength and temperature. In particular, in the strongly interacting regime, we predict a significant downshift of the breathing mode frequency, below the scale invariant value of 2 ω0 , for temperatures of the order of the Fermi temperature.

The novel metallic states of the cuprates: Topological Fermi liquids and strange metals

NASA Astrophysics Data System (ADS)

Sachdev, Subir; Chowdhury, Debanjan

2016-12-01

We review ideas on the nature of the metallic states of the hole-doped cuprate high temperature superconductors, with an emphasis on the connections between the Luttinger theorem for the size of the Fermi surface, topological quantum field theories (TQFTs), and critical theories involving changes in the size of the Fermi surface. We begin with the derivation of the Luttinger theorem for a Fermi liquid, using momentum balance during a process of flux insertion in a lattice electronic model with toroidal boundary conditions. We then review the TQFT of the ℤ spin liquid, and demonstrate its compatibility with the toroidal momentum balance argument. This discussion leads naturally to a simple construction of "topological" Fermi liquid states: the fractionalized Fermi liquid (FL*) and the algebraic charge liquid (ACL). We present arguments for a description of the pseudogap metal of the cuprates using ℤ-FL* or ℤ-ACL states with Ising-nematic order. These pseudogap metal states are also described as Higgs phases of a SU(2) gauge theory. The Higgs field represents local antiferromagnetism, but the Higgs-condensed phase does not have long-range antiferromagnetic order: the magnitude of the Higgs field determines the pseudogap, the reconstruction of the Fermi surface, and the Ising-nematic order. Finally, we discuss the route to the large Fermi surface Fermi liquid via the critical point where the Higgs condensate and Ising nematic order vanish, and the application of Higgs criticality to the strange metal.

Fermi level pinning at epitaxial Si on GaAs(100) interfaces

NASA Astrophysics Data System (ADS)

Silberman, J. A.; de Lyon, T. J.; Woodall, J. M.

1991-12-01

GaAs Schottky barrier contacts and metal-insulator-semiconductor structures that include thin epitaxial Si interfacial layers operate in a manner consistent with an unpinned Fermi level at the GaAs interface. These findings raise the question of whether this effect is an intrinsic property of the epitaxial GaAs(100)-Si interface. We have used x-ray photoemission spectroscopy to monitor the Fermi level position during in situ growth of thin epitaxial Si layers. In particular, films formed on heavily doped n- and p-type substrates were compared so as to use the large depletion layer fields available with high impurity concentration as a field-effect probe of the interface state density. The results demonstrate that epitaxial bonding at the interface alone is insufficient to eliminate Fermi level pinning, indicating that other mechanisms affect the interfacial charge balance in the devices that utilize Si interlayers.

Fermi level pinning at the Ge(001) surface—A case for non-standard explanation

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

Wojtaszek, Mateusz; Zuzak, Rafal; Godlewski, Szymon

2015-11-14

To explore the origin of the Fermi level pinning in germanium, we investigate the Ge(001) and Ge(001):H surfaces. The absence of relevant surface states in the case of Ge(001):H should unpin the surface Fermi level. This is not observed. For samples with donors as majority dopants, the surface Fermi level appears close to the top of the valence band regardless of the surface structure. Surprisingly, for the passivated surface, it is located below the top of the valence band allowing scanning tunneling microscopy imaging within the band gap. We argue that the well known electronic mechanism behind band bending doesmore » not apply and a more complicated scenario involving ionic degrees of freedom is therefore necessary. Experimental techniques involve four point probe electric current measurements, scanning tunneling microscopy, and spectroscopy.« less

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

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

Debehets, J.; Homm, P.; Menghini, M.

In this study, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH 4) 2S-solutions in an inert atmosphere (N 2-gas). Although the (NH 4) 2S-cleaning in N 2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH 4) 2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.« less

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

DOE PAGES

Debehets, J.; Homm, P.; Menghini, M.; ...

2018-01-12

In this study, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH 4) 2S-solutions in an inert atmosphere (N 2-gas). Although the (NH 4) 2S-cleaning in N 2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH 4) 2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.« less

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings

NASA Astrophysics Data System (ADS)

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-01

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter rS is increased, we observe—at a fixed spin magnetic moment—the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing rS. We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical rSc at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing rS the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid.

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings.

PubMed

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-24

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter r(S) is increased, we observe-at a fixed spin magnetic moment-the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing r(S). We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical r(S)(c) at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing r(S) the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid. © 2011 IOP Publishing Ltd

Mixed Monolayers of Spiropyrans Maximize Tunneling Conductance Switching by Photoisomerization at the Molecule–Electrode Interface in EGaIn Junctions

PubMed Central

2016-01-01

This paper describes the photoinduced switching of conductance in tunneling junctions comprising self-assembled monolayers of a spiropyran moiety using eutectic Ga–In top contacts. Despite separation of the spiropyran unit from the electrode by a long alkyl ester chain, we observe an increase in the current density J of a factor of 35 at 1 V when the closed form is irradiated with UV light to induce the ring-opening reaction, one of the highest switching ratios reported for junctions incorporating self-assembled monolayers. The magnitude of switching of hexanethiol mixed monolayers was higher than that of pure spiropyran monolayers. The first switching event recovers 100% of the initial value of J and in the mixed-monolayers subsequent dampening is not the result of degradation of the monolayer. The observation of increased conductivity is supported by zero-bias DFT calculations showing a change in the localization of the density of states near the Fermi level as well as by simulated transmission spectra revealing positive resonances that broaden and shift toward the Fermi level in the open form. PMID:27602432

Quasiparticle density of states, localization, and distributed disorder in the cuprate superconductors

NASA Astrophysics Data System (ADS)

Sulangi, Miguel Antonio; Zaanen, Jan

2018-04-01

We explore the effects of various kinds of random disorder on the quasiparticle density of states of two-dimensional d -wave superconductors using an exact real-space method, incorporating realistic details known about the cuprates. Random on-site energy and pointlike unitary impurity models are found to give rise to a vanishing DOS at the Fermi energy for narrow distributions and low concentrations, respectively, and lead to a finite, but suppressed, DOS at unrealistically large levels of disorder. Smooth disorder arising from impurities located away from the copper-oxide planes meanwhile gives rise to a finite DOS at realistic impurity concentrations. For the case of smooth disorder whose average potential is zero, a resonance is found at zero energy for the quasiparticle DOS at large impurity concentrations. We discuss the implications of these results on the computed low-temperature specific heat, the behavior of which we find is strongly affected by the amount of disorder present in the system. We also compute the localization length as a function of disorder strength for various types of disorder and find that intermediate- and high-energy states are quasiextended for low disorder, and that states near the Fermi energy are strongly localized and have a localization length that exhibits an unusual dependence on the amount of disorder. We comment on the origin of disorder in the cuprates and provide constraints on these based on known results from scanning tunneling spectroscopy and specific heat experiments.

Strong Rashba effect in the localized impurity states of halogen-doped monolayer PtSe2

NASA Astrophysics Data System (ADS)

Absor, Moh. Adhib Ulil; Santoso, Iman; Harsojo, Abraha, Kamsul; Kotaka, Hiroki; Ishii, Fumiyuki; Saito, Mineo

2018-05-01

The recent epitaxial growth of the 1 T phase of the PtSe2 monolayer (ML) has opened the possibility for novel applications, in particular for a spintronics device. However, in contrast to the 2 H phase of transition-metal dichalcogenides (TMDs), the absence of spin splitting in the PtSe2 ML may limit the functionality for spintronics application. Through fully relativistic density-functional theory calculations, we show that large spin splitting can be induced in the PtSe2 ML by introducing a substitutional halogen impurity. Depending on the atomic number Z of the halogen dopants, we observe an enhancement of the spin splitting in the localized impurity states (LIS), which is due to the increased contribution of the p -d orbital coupling. More importantly, we identify very large Rashba splitting in the LIS near the Fermi level around the Γ point characterized by hexagonal warping of the Fermi surface. We show that the Rashba splitting can be controlled by adjusting the doping concentration. Therefore, this work provides a possible way to induce significant Rashba splitting in the two-dimensional TMDs, which is useful for spintronic devices operating at room temperature.

Nickel: The time-reversal symmetry conserving partner of iron on a chalcogenide topological insulator

NASA Astrophysics Data System (ADS)

Vondráček, M.; Cornils, L.; Minár, J.; Warmuth, J.; Michiardi, M.; Piamonteze, C.; Barreto, L.; Miwa, J. A.; Bianchi, M.; Hofmann, Ph.; Zhou, L.; Kamlapure, A.; Khajetoorians, A. A.; Wiesendanger, R.; Mi, J.-L.; Iversen, B.-B.; Mankovsky, S.; Borek, St.; Ebert, H.; Schüler, M.; Wehling, T.; Wiebe, J.; Honolka, J.

2016-10-01

We report on the quenching of single Ni adatom moments on Te-terminated Bi2Te2Se and Bi2Te3 topological insulator surfaces. The effect is noted as a missing x-ray magnetic circular dichroism for resonant L3 ,2 transitions into partially filled Ni 3 d states of theory-derived occupancy nd=9.2 . On the basis of a comparative study of Ni and Fe using scanning tunneling microscopy and ab initio calculations, we are able to relate the element specific moment formation to a local Stoner criterion. Our theory shows that while Fe adatoms form large spin moments of ms=2.54 μB with out-of-plane anisotropy due to a sufficiently large density of states at the Fermi energy, Ni remains well below an effective Stoner threshold for local moment formation. With the Fermi level remaining in the bulk band gap after adatom deposition, nonmagnetic Ni and preferentially out-of-plane oriented magnetic Fe with similar structural properties on Bi2Te2Se surfaces constitute a perfect platform to study the off-on effects of time-reversal symmetry breaking on topological surface states.

Many-body exciton states in self-assembled quantum dots coupled to a Fermi sea

NASA Astrophysics Data System (ADS)

Koenraad, P. M.; Kleemans, N. A. J. M.; van Bree, J.; Govorov, A. O.; Hamhuis, G. J.; Notzel, R.; Silov, A. Yu.

2010-03-01

Using voltage dependent photoluminescence spectroscopy we have studied the coupling between QD states and the continuum of states of a Fermi sea of electrons in the close proximity of a self-assembled InAs quantum dot embedded in GaAs. This coupling gives rise to new optical transitions, manifesting the formation of many-body exciton states. The lines in the photoluminescence spectra can be well explained within the Anderson and Mahan exciton models. The presence of Mahan excitons originates from the Coulomb interaction between electrons in the Fermi sea and the hole(s) in the QD whereas a the second type of many-body exciton is due to a hybridized exciton originating from the tunnel interaction between the continuum of states in the Fermi sea and the localized state in the QD. Our study demonstrates the possibility to investigate a variety of many-body states in QDs coupled to a Fermi sea and opens the way to investigate optically the Kondo effect and related spin phenomena in these systems.

How a Small Quantum Bath Can Thermalize Long Localized Chains

NASA Astrophysics Data System (ADS)

Luitz, David J.; Huveneers, François; De Roeck, Wojciech

2017-10-01

We investigate the stability of the many-body localized phase for a system in contact with a single ergodic grain modeling a Griffiths region with low disorder. Our numerical analysis provides evidence that even a small ergodic grain consisting of only three qubits can delocalize a localized chain as soon as the localization length exceeds a critical value separating localized and extended regimes of the whole system. We present a simple theory, consistent with De Roeck and Huveneers's arguments in [Phys. Rev. B 95, 155129 (2017), 10.1103/PhysRevB.95.155129] that assumes a system to be locally ergodic unless the local relaxation time determined by Fermi's golden rule is larger than the inverse level spacing. This theory predicts a critical value for the localization length that is perfectly consistent with our numerical calculations. We analyze in detail the behavior of local operators inside and outside the ergodic grain and find excellent agreement of numerics and theory.

Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations.

PubMed

Tristant, Damien; Zubair, Ahmed; Puech, Pascal; Neumayer, Frédéric; Moyano, Sébastien; Headrick, Robert J; Tsentalovich, Dmitri E; Young, Colin C; Gerber, Iann C; Pasquali, Matteo; Kono, Junichiro; Leotin, Jean

2016-12-01

Highly aligned, packed, and doped carbon nanotube (CNT) fibers with electrical conductivities approaching that of copper have recently become available. These fibers are promising for high-power electrical applications that require light-weight, high current-carrying capacity cables. However, a microscopic understanding of how doping affects the electrical conductance of such CNT fibers in a quantitative manner has been lacking. Here, we performed Raman spectroscopy measurements combined with first-principles calculations to determine the position of the average Fermi energy and to obtain the temperature of chlorosulfonic-acid-doped double-wall CNT fibers under high current. Due to the unique way in which double-wall CNT Raman spectra depend on doping, it is possible to use Raman data to determine the doping level quantitatively. The correspondence between the Fermi level shift and the carbon charge transfer is derived from a tight-binding model and validated by several calculations. For the doped fiber, we were able to associate an average Fermi energy shift of ∼-0.7 eV with a conductance increase by a factor of ∼5. Furthermore, since current induces heating, local temperature determination is possible. Through the Stokes-to-anti-Stokes intensity ratio of the G-band peaks, we estimated a temperature rise at the fiber surface of ∼135 K at a current density of 2.27 × 10 8 A m -2 identical to that from the G-band shift, suggesting that thermalization between CNTs is well achieved.

Stabilization of Fermi level via electronic excitation in Sn doped CdO thin films

NASA Astrophysics Data System (ADS)

Das, Arkaprava; Singh, Fouran

2018-04-01

Pure and Sn doped CdO sol-gel derived thin films were deposited on corning glass substrate and further irradiated by swift heavy ion (SHI) (Ag and O) with fluence upto 3×1013 ions/cm2. The observed tensile stress from X-ray diffraction pattern at higher fluence for Ag ions can be corroborated to the imbrications of cylindrical tracks due to multiple impacts. The anomalous band gap enhancement after irradiation may be attributed to the consolidated effect of Burstein-Moss shift (BMS) and impurity induced virtual gap states (ViGs). At higher excitation density as Fermi stabilization level (EFS) tends to coincide with charge neutrality level (CNL), band gap enhancement saturates as further creation of additional defects inside the lattice becomes unsustainable. Raman spectroscopy divulges an intensity enhancement of 478 cm-1 LO phonon mode with Sn doping and irradiation induces further asymmetric peak broadening due to damage and disordering inside the lattice. However for 3% Sn doped thin film irradiated with Ag ions having 3×1013 fluence shows a drastic change in structural properties and reduction in band gap which might be attributed to the generation of localized energy levels between conduction and valance band due to high density of defects.

New Results from Fermi-LAT and Their Implications for the Nature of Dark Matter and the Origin of Cosmic Rays

NASA Technical Reports Server (NTRS)

Moiseev, Alexander

2009-01-01

The measured spectrum is compatible with a power law within our current systematic errors. The spectral index (-3.04) is harder than expected from previous experiments and simple theoretical considerations. "Pre-Fermi" diffusive model requires a harder electron injection spectrum (by 0.12) to fit the Fermi data, but inconsistent with positron excess reported by Pamela if it extends to higher energy. Additional component of electron flux from local source(s) may solve the problem; its origin, astrophysical or exotic, is still unclear. Valuable contribution to the calculation of IC component of diffuse gamma radiation.

Identifying Unidentified Fermi-LAT Objects (UFOs) at High-Latitude

NASA Astrophysics Data System (ADS)

Cheung, Chi Teddy

2009-09-01

We propose a Chandra study of 8 high Galactic latitude gamma-ray sources in the Fermi-LAT bright source list. These sources are currently unidentified, i.e., they are not clearly associated with established classes of gamma-ray emitters like blazars and pulsars. The proposed observations will determine the basic properties (fluxes, positions, hardness ratio/spectra) of all X-ray sources down to a 0.3-10 keV flux limit of 1.5e-14 erg/cm2/s within the Fermi-LAT localization circles. This will enable further follow-up at other wavelengths, with the ultimate goal to reveal the nature of these enigmatic gamma-ray sources.

Fast probe of local electronic states in nanostructures utilizing a single-lead quantum dot

PubMed Central

Otsuka, Tomohiro; Amaha, Shinichi; Nakajima, Takashi; Delbecq, Matthieu R.; Yoneda, Jun; Takeda, Kenta; Sugawara, Retsu; Allison, Giles; Ludwig, Arne; Wieck, Andreas D.; Tarucha, Seigo

2015-01-01

Transport measurements are powerful tools to probe electronic properties of solid-state materials. To access properties of local electronic states in nanostructures, such as local density of states, electronic distribution and so on, micro-probes utilizing artificial nanostructures have been invented to perform measurements in addition to those with conventional macroscopic electronic reservoirs. Here we demonstrate a new kind of micro-probe: a fast single-lead quantum dot probe, which utilizes a quantum dot coupled only to the target structure through a tunneling barrier and fast charge readout by RF reflectometry. The probe can directly access the local electronic states with wide bandwidth. The probe can also access more electronic states, not just those around the Fermi level, and the operations are robust against bias voltages and temperatures. PMID:26416582

Electronic structure and magneto-optical effects in CeSb

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

Liechtenstein, A.I.; Antropov, V.P.; Harmon, B.N.

1994-04-15

The electronic structure and magneto-optical spectra of CeSb have been calculated using the self-consistent local-density approximation with explicit on-site Coulomb parameters for the correlated [ital f] state of cerium. The essential electronic structure of cerium antimonide consists of one occupied [ital f] band, predominantly with orbital [ital m]=[minus]3 character and spin [sigma]=1 located 2 eV below the Fermi level and interacting with broad Sb [ital p] bands crossing [ital E][sub [ital F

Fermi and Swift as supernova alarms: Alert, localization, and diagnosis of future Galactic Type Ia explosions

NASA Astrophysics Data System (ADS)

Wang, Xilu; Fields, Brian D.; Lien, Amy Y.

2017-01-01

A Galactic SNIa event could go entirely unnoticed due to the large optical and near-IR extinction in the Milky Way plane, low radio and X-ray luminosities, and a weak neutrino signal. But the recent SN2014J confirms that Type Ia supernovae emit nuclear γ- ray lines, from the 56Ni → 56Co → 56Fe radioactive decay. The energy released in these decays powers the SNIa UVOIR light curve at times after ~1 week, leading to an exponential decline. Importantly for Swift and Fermi, these decays are accompanied by γ-ray line emission, with distinct series of lines for both the 56Ni and 56Co decays, spanning 158 keV to 2.6 MeV. These lines are squarely within the Fermi/GBM energy range, and the 56Ni 158 keV line is detectable by Swift/BAT. The Galaxy is optically thin to γ-rays, so the supernova line flux will suffer negligible extinction. Both GBM and BAT have continuous and nearly all-sky coverage. Thus GBM and BAT are ideal Galactic SNIa monitors and early warning systems. We will illustrate expected GBM and BAT light curves and spectra, based on our model for SNIa γ-ray emission and transfer. We show that the supernova signal emerges as distinct from the GBM background within days after the explosion in the SN2014J shell model. Therefore, if a Galactic SNIa were to explode, there are two possibilities of confirming and sounding the alert: 1) Swift/BAT discovers the SNIa first and localizes it within arcminutes; 2) Fermi/GBM finds the SNIa first and localizes it to within ~1 degree, using the Earth occultation technique, followed up by BAT to localize it within arcminutes. After the alert of either BAT or GBM, Swift localizes it to take spectra in optical, UV, soft and hard X-rays simultaneously with both XRT and UVOT instruments.

A Proposal to Localize Fermi GBM GRBs Through Coordinated Scanning of the GBM Error Circle via Optical Telescopes

NASA Technical Reports Server (NTRS)

Ukwatta, T. N.; Linnemann, J. T.; Tollefson, K.; Abeysekara, A. U.; Bhat, P. N.; Sonbas, E.; Gehrels, N.

2011-01-01

We investigate the feasibility of implementing a system that will coordinate ground-based optical telescopes to cover the Fermi GBM Error Circle (EC). The aim of the system is to localize GBM detected GRBs and facilitate multi-wavelength follow-up from space and ground. This system will optimize the observing locations in the GBM EC based on individual telescope location, Field of View (FoV) and sensitivity. The proposed system will coordinate GBM EC scanning by professional as well as amateur astronomers around the world. The results of a Monte Carlo simulation to investigate the feasibility of the project are presented.

Conformal Fermi Coordinates

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

Dai, Liang; Pajer, Enrico; Schmidt, Fabian, E-mail: ldai@ias.edu, E-mail: Enrico.pajer@gmail.com, E-mail: fabians@mpa-garching.mpg.de

Fermi Normal Coordinates (FNC) are a useful frame for isolating the locally observable, physical effects of a long-wavelength spacetime perturbation. Their cosmological application, however, is hampered by the fact that they are only valid on scales much smaller than the horizon. We introduce a generalization that we call Conformal Fermi Coordinates (CFC). CFC preserve all the advantages of FNC, but in addition are valid outside the horizon. They allow us to calculate the coupling of long- and short-wavelength modes on all scales larger than the sound horizon of the cosmological fluid, starting from the epoch of inflation until today, bymore » removing the complications of the second order Einstein equations to a large extent, and eliminating all gauge ambiguities. As an application, we present a calculation of the effect of long-wavelength tensor modes on small scale density fluctuations. We recover previous results, but clarify the physical content of the individual contributions in terms of locally measurable effects and ''projection'' terms.« less

The Anderson localization problem, the Fermi-Pasta-Ulam paradox and the generalized diffusion approach

NASA Astrophysics Data System (ADS)

Kuzovkov, V. N.

2011-12-01

The goal of this paper is twofold. First, based on the interpretation of a quantum tight-binding model in terms of a classical Hamiltonian map, we consider the Anderson localization (AL) problem as the Fermi-Pasta-Ulam (FPU) effect in a modified dynamical system containing both stable and unstable (inverted) modes. Delocalized states in the AL are analogous to the stable quasi-periodic motion in FPU, whereas localized states are analogous to thermalization, respectively. The second aim is to use the classical Hamilton map for a simplified derivation of exact equations for the localization operator H(z). The latter was presented earlier (Kuzovkov et al 2002 J. Phys.: Condens. Matter 14 13777) treating the AL as a generalized diffusion in a dynamical system. We demonstrate that counter-intuitive results of our studies of the AL are similar to the FPU counter-intuitivity.

Distinct nature of orbital-selective Mott phases dominated by low-energy local spin fluctuations

NASA Astrophysics Data System (ADS)

Song, Ze-Yi; Jiang, Xiu-Cai; Lin, Hai-Qing; Zhang, Yu-Zhong

2017-12-01

Quantum orbital-selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of itinerant electrons and localized spins, dependent on whether the Hund's coupling is full or of Ising type. The critical values and the nature of the OSM transitions are efficiently determined by entanglement entropy. We reveal that vanishing of the Kondo energy scale evidenced by absence of local spin fluctuations at low frequency in local dynamical spin susceptibility is responsible for the appearance of non-Fermi-liquid OSM phase in Ising Hund's coupling case. We argue that this scenario can also be applied to account for emergent quantum non-Fermi liquid in the one-band Hubbard model when short-range antiferromagnetic order is considered.

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr

NASA Astrophysics Data System (ADS)

Kao, Der-you; Withanage, Kushantha; Hahn, Torsten; Batool, Javaria; Kortus, Jens; Jackson, Koblar

2017-10-01

In the Fermi-Löwdin orbital method for implementing self-interaction corrections (FLO-SIC) in density functional theory (DFT), the local orbitals used to make the corrections are generated in a unitary-invariant scheme via the choice of the Fermi orbital descriptors (FODs). These are M positions in 3-d space (for an M-electron system) that can be loosely thought of as classical electron positions. The orbitals that minimize the DFT energy including the SIC are obtained by finding optimal positions for the FODs. In this paper, we present optimized FODs for the atoms from Li-Kr obtained using an unbiased search method and self-consistent FLO-SIC calculations. The FOD arrangements display a clear shell structure that reflects the principal quantum numbers of the orbitals. We describe trends in the FOD arrangements as a function of atomic number. FLO-SIC total energies for the atoms are presented and are shown to be in close agreement with the results of previous SIC calculations that imposed explicit constraints to determine the optimal local orbitals, suggesting that FLO-SIC yields the same solutions for atoms as these computationally demanding earlier methods, without invoking the constraints.

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

PubMed Central

Wang, Yi X.; Wu, Q.; Chen, Xiang R.; Geng, Hua Y.

2016-01-01

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium. PMID:27581551

Universality class of non-Fermi-liquid behavior in mixed-valence systems

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

1996-01-01

A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper oxides. Using the Abelian bosonization technique and canonical transformations, an effective Hamiltonian is derived in the strong-coupling limit, which is essentially analogous to the Toulouse limit of the ordinary Kondo problem. In this limit, the effective Hamiltonian can be exactly solved, with a mixed-valence quantum critical point separating two different Fermi-liquid phases, i.e., the Kondo phase and the empty orbital phase. In the mixed-valence quantum critical regime, the local moment is only partially quenched and x-ray edge singularities are generated. Around the quantum critical point, a type of non-Fermi-liquid behavior is predicted with an extra specific heat Cimp~T1/4 and a singular spin susceptibility χimp~T-3/4. At the same time, the effective Hamiltonian under single occupancy is transformed into a resonant-level model, from which the correct Kondo physical properties (specific heat, spin susceptibility, and an enhanced Wilson ratio) are easily rederived. Finally, a brief discussion is given to relate these theoretical results to observations in UPdxCu5-x (x=1,1.5) alloys, which show single-impurity critical behavior consistent with our predictions.

Spectroscopic views of high-Tc superconductors

NASA Astrophysics Data System (ADS)

Wendin, Göran

1989-01-01

Recent progress in the fields of photoelectron spectroscopy, electron energy loss spectroscopy, inverse photoemission, and infrared- and optical reflectivity applied to high-Tc superconductors is analyzed in terms of correlation effects, transport properties and Fermi liquid behaviour. For the CuO2 based materials, a picture emerges of localized holes in copper 3d levels and itinerant holes in oxygen 2p-like bands. A Fermi liquid picture and a superconducting gap is indicated by angle-resolved photo-emission, infrared absorption, and NMR. A Fermi surface is indicated by positron annihilation. Infrared absorption reveals strongly frequency and temperature dependent scattering and polaronic behaviour for frequencies below 0.1 eV. Infrared absorption indicates a maximum superconducting gap of 2Δ/kBTc = 8 and suggests that ordinary samples may show a range of gaps 2 < 2Δ/kBTc < 8 resulting in commonly measured average values of 2Δ/kBTc = 5. An interesting possibility in YBaCuO, suggested by infrared reflectivity and photoconductivity measurements, is that polarons in the CuO2 planes with 0.13 eV excitation energy mediate an attractive interaction between quasi-holes in O 2p-derived conduction bands. The polarons will involve important lattice distortions even if, as is frequently assumed, magnetic polaron effects may be the essential thing.

Interaction of sodium atoms with stacking faults in silicon with different Fermi levels

NASA Astrophysics Data System (ADS)

Ohno, Yutaka; Morito, Haruhiko; Kutsukake, Kentaro; Yonenaga, Ichiro; Yokoi, Tatsuya; Nakamura, Atsutomo; Matsunaga, Katsuyuki

2018-06-01

Variation in the formation energy of stacking faults (SFs) with the contamination of Na atoms was examined in Si crystals with different Fermi levels. Na atoms agglomerated at SFs under an electronic interaction, reducing the SF formation energy. The energy decreased with the decrease of the Fermi level: it was reduced by more than 10 mJ/m2 in p-type Si, whereas it was barely reduced in n-type Si. Owing to the energy reduction, Na atoms agglomerating at SFs in p-type Si are stable compared with those in n-type Si, and this hypothesis was supported by ab initio calculations.

Tuning bad metal and non-Fermi liquid behavior in a Mott material: Rare-earth nickelate thin films

PubMed Central

Mikheev, Evgeny; Hauser, Adam J.; Himmetoglu, Burak; Moreno, Nelson E.; Janotti, Anderson; Van de Walle, Chris G.; Stemmer, Susanne

2015-01-01

Resistances that exceed the Mott-Ioffe-Regel limit (known as bad metal behavior) and non-Fermi liquid behavior are ubiquitous features of the normal state of many strongly correlated materials. We establish the conditions that lead to bad metal and non-Fermi liquid phases in NdNiO3, which exhibits a prototype bandwidth-controlled metal-insulator transition. We show that resistance saturation is determined by the magnitude of Ni eg orbital splitting, which can be tuned by strain in epitaxial films, causing the appearance of bad metal behavior under certain conditions. The results shed light on the nature of a crossover to a non-Fermi liquid metal phase and provide a predictive criterion for Anderson localization. They elucidate a seemingly complex phase behavior as a function of film strain and confinement and provide guidelines for orbital engineering and novel devices. PMID:26601140

Validating simple dynamical simulations of the unitary Fermi gas

NASA Astrophysics Data System (ADS)

Forbes, Michael McNeil; Sharma, Rishi

2014-10-01

We present a comparison between simulated dynamics of the unitary fermion gas using the superfluid local density approximation (SLDA) and a simplified bosonic model, the extended Thomas-Fermi (ETF) with a unitary equation of state. Small-amplitude fluctuations have similar dynamics in both theories for frequencies far below the pair-breaking threshold and wave vectors much smaller than the Fermi momentum. The low-frequency linear responses in both match well for surprisingly large wave vectors, even up to the Fermi momentum. For nonlinear dynamics such as vortex generation, the ETF provides a semiquantitative description of SLDA dynamics as long as the fluctuations do not have significant power near the pair-breaking threshold; otherwise the dynamics of the ETF cannot be trusted. Nonlinearities in the ETF tend to generate high-frequency fluctuations, and with no normal component to remove this energy from the superfluid, features such as vortex lattices cannot relax and crystallize as they do in the SLDA.

Correlation of Device Performance and Fermi Level Shift in the Emitting Layer of Organic Light-Emitting Diodes with Amine-Based Electron Injection Layers.

PubMed

Stolz, Sebastian; Lemmer, Uli; Hernandez-Sosa, Gerardo; Mankel, Eric

2018-03-14

We investigate three amine-based polymers, polyethylenimine and two amino-functionalized polyfluorenes, as electron injection layers (EILs) in organic light-emitting diodes (OLEDs) and find correlations between the molecular structure of the polymers, the electronic alignment at the emitter/EIL interface, and the resulting device performance. X-ray photoelectron spectroscopy measurements of the emitter/EIL interface indicate that all three EIL polymers induce an upward shift of the Fermi level in the emitting layer close to the interface similar to n-type doping. The absolute value of this Fermi level shift, which can be explained by an electron transfer from the EIL polymers into the emitting layer, correlates with the number of nitrogen-containing groups in the side chains of the polymers. Whereas polyethylenimine (PEI) and one of the investigated polyfluorenes (PFCON-C) have six such groups per monomer unit, the second investigated polyfluorene (PFN) only possesses two. Consequently, we measure Fermi level shifts of 0.5-0.7 eV for PEI and PFCON-C and only 0.2 eV for PFN. As a result of these Fermi level shifts, the energetic barrier for electron injection is significantly lowered and OLEDs which comprise PEI or PFCON-C as an EIL exhibit a more than twofold higher luminous efficacy than OLEDs with PFN.

Mechanism of charge transfer and its impacts on Fermi-level pinning for gas molecules adsorbed on monolayer WS2.

PubMed

Zhou, Changjie; Yang, Weihuang; Zhu, Huili

2015-06-07

Density functional theory calculations were performed to assess changes in the geometric and electronic structures of monolayer WS2 upon adsorption of various gas molecules (H2, O2, H2O, NH3, NO, NO2, and CO). The most stable configuration of the adsorbed molecules, the adsorption energy, and the degree of charge transfer between adsorbate and substrate were determined. All evaluated molecules were physisorbed on monolayer WS2 with a low degree of charge transfer and accept charge from the monolayer, except for NH3, which is a charge donor. Band structure calculations showed that the valence and conduction bands of monolayer WS2 are not significantly altered upon adsorption of H2, H2O, NH3, and CO, whereas the lowest unoccupied molecular orbitals of O2, NO, and NO2 are pinned around the Fermi-level when these molecules are adsorbed on monolayer WS2. The phenomenon of Fermi-level pinning was discussed in light of the traditional and orbital mixing charge transfer theories. The impacts of the charge transfer mechanism on Fermi-level pinning were confirmed for the gas molecules adsorbed on monolayer WS2. The proposed mechanism governing Fermi-level pinning is applicable to the systems of adsorbates on recently developed two-dimensional materials, such as graphene and transition metal dichalcogenides.

Electronic structure study of wide band gap magnetic semiconductor (La0.6Pr0.4)0.65Ca0.35MnO3 nanocrystals in paramagnetic and ferromagnetic phases

NASA Astrophysics Data System (ADS)

Dwivedi, G. D.; Joshi, Amish G.; Kumar, Shiv; Chou, H.; Yang, K. S.; Jhong, D. J.; Chan, W. L.; Ghosh, A. K.; Chatterjee, Sandip

2016-04-01

X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La0.6Pr0.4)0.65Ca0.35MnO3 near Fermi-level. XMCD results indicate that Mn3+ and Mn4+ spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La0.6Pr0.4)0.65Ca0.35MnO3 system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below TC. The valence band UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.

Superfluid-ferromagnet-superfluid junction and the {pi} phase in a superfluid Fermi gas

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

Kashimura, Takashi; Tsuchiya, Shunji; CREST

2010-09-15

We investigate the possibility of a superfluid-ferromagnet-superfluid (SFS) junction in a superfluid Fermi gas. To examine this possibility in a simple manner, we consider an attractive Hubbard model at T=0 within the mean-field theory. When a potential barrier is embedded in a superfluid Fermi gas with population imbalance (N{sub {up_arrow}}>N{sub {down_arrow}}, where N{sub {sigma}} is the number of atoms with pseudospin {sigma}= {up_arrow}, {down_arrow}), this barrier is shown to be magnetized in the sense that excess {up_arrow}-spin atoms are localized around it. The resulting superfluid Fermi gas is spatially divided into two by this ferromagnet, so that one obtains amore » junction similar to the superconductor-ferromagnet-superconductor junction discussed in superconductivity. Indeed, we show that the so-called {pi} phase, which is a typical phenomenon in the SFS junction, is realized, where the superfluid order parameter changes its sign across the junction. Our results would be useful for the study of magnetic effects on fermion superfluidity using an ultracold Fermi gas.« less

Momentum-resolved radio-frequency spectroscopy of a spin-orbit-coupled atomic Fermi gas near a Feshbach resonance in harmonic traps

NASA Astrophysics Data System (ADS)

Peng, Shi-Guo; Liu, Xia-Ji; Hu, Hui; Jiang, Kaijun

2012-12-01

We theoretically investigate the momentum-resolved radio-frequency spectroscopy of a harmonically trapped atomic Fermi gas near a Feshbach resonance in the presence of equal Rashba and Dresselhaus spin-orbit coupling. The system is qualitatively modeled as an ideal gas mixture of atoms and molecules, in which the properties of molecules, such as the wave function, binding energy, and effective mass, are determined from the two-particle solution of two interacting atoms. We calculate separately the radio-frequency response from atoms and molecules at finite temperatures by using the standard Fermi golden rule and take into account the effect of harmonic traps within local density approximation. The total radio-frequency spectroscopy is discussed as functions of temperature and spin-orbit coupling strength. Our results give a qualitative picture of radio-frequency spectroscopy of a resonantly interacting spin-orbit-coupled Fermi gas and can be directly tested in atomic Fermi gases of 40K atoms at Shanxi University and 6Li atoms at the Massachusetts Institute of Technology.

The Fermi Gamma-ray Burst Monitor (GBM) Terrestrial Gamma-ray Flash (TGF) Catalog

NASA Astrophysics Data System (ADS)

Briggs, M. S.; Roberts, O.; Fitzpatrick, G.; Stanbro, M.; Cramer, E.; Mailyan, B. G.; McBreen, S.; Connaughton, V.; Grove, J. E.; Chekhtman, A.; Holzworth, R.

2017-12-01

The revised Second Fermi GBM TGF catalog includes data on 4144 TGFs detected by the Fermi Gamma-ray Burst Monitor through 2016 July 31. The catalog includes 686 bright TGFs there were detected in orbit and 4135 TGFs that were discovered by ground analysis of GBM data (the two samples overlap). Thirty of the events may have been detected as electrons and positrons rather than gamma-rays: Terrestrial Electron Beams (TEBs). We also provide results from correlating the GBM TGFs with VLF radio detections of the World Wide Lightning Location Network (WWLLN). TGFs with WWLLN associations have their localization uncertainties improved from 800 to 10 km, making it possible to identify specific thunderstorms responsible for the TGFs and opening up new types of scientific investigations. There are 1544 TGFs with WWLLN associations; maps are provided for these and the other TGFs of the catalog. The data tables of the catalog are available for use by the scientific community at the Fermi Science Support Center, at https://fermi.gsfc.nasa.gov/ssc/data/access/gbm/tgf/.

Collapse and revival of the Fermi sea in a Bose-Fermi mixture

NASA Astrophysics Data System (ADS)

Iyer, Deepak; Will, Sebastian; Rigol, Marcos

2014-05-01

The collapse and revival of quantum fields is one of the most pristine forms of coherent quantum dynamics far from equilibrium. Until now, it has only been observed in the dynamical evolution of bosonic systems. We report on the first observation of the boson mediated collapse and revival of the Fermi sea in a Bose-Fermi mixture. Specifically, we present a simple model which captures the experimental observations shown in the talk titled Observation of Collapse and Revival Dynamics in the Fermionic Component of a Lattice Bose-Fermi Mixture by Sebastian Will. Our theoretical analysis shows why the results are robust to the presence of harmonic traps during the loading or the time evolution phase. It also makes apparent that the fermionic dynamics is independent of whether the bosonic component consists of a coherent state or localized Fock states with random occupation numbers. Because of the robustness of the experimental results, we argue that this kind of collapse and revival experiment can be used to accurately characterize interactions between bosons and fermions in a lattice.

Phenomenology of small violations of Fermi and Bose statistics

NASA Astrophysics Data System (ADS)

Greenberg, O. W.; Mohapatra, Rabindra N.

1989-04-01

In a recent paper, we proposed a ``paronic'' field-theory framework for possible small deviations from the Pauli exclusion principle. This theory cannot be represented in a positive-metric (Hilbert) space. Nonetheless, the issue of possible small violations of the exclusion principle can be addressed in the framework of quantum mechanics, without being connected with a local quantum field theory. In this paper, we discuss the phenomenology of small violations of both Fermi and Bose statistics. We consider the implications of such violations in atomic, nuclear, particle, and condensed-matter physics and in astrophysics and cosmology. We also discuss experiments that can detect small violations of Fermi and Bose statistics or place stringent bounds on their validity.

Formation of copper precipitates in silicon

NASA Astrophysics Data System (ADS)

Flink, Christoph; Feick, Henning; McHugo, Scott A.; Mohammed, Amna; Seifert, Winfried; Hieslmair, Henry; Heiser, Thomas; Istratov, Andrei A.; Weber, Eicke R.

1999-12-01

The formation of copper precipitates in silicon was studied after high-temperature intentional contamination of p- and n-type FZ and Cz-grown silicon and quench to room temperature. With the Transient Ion Drift (TID) technique on p-type silicon a critical Fermi level position at EC-0.2 eV was found. Only if the Fermi level position, which is determined by the concentrations of the acceptors and the copper donors, surpasses this critical value precipitation takes place. If the Fermi level is below this level the supersaturated interstitial copper diffuses out. An electrostatic precipitation model is introduced that correlates the observed precipitation behavior with the electrical activity of the copper precipitates as detected with Deep Level Transient Spectroscopy (DLTS) on n-type and with Minority Carrier Transient Spectroscopy (MCTS) on p-type silicon.

Strong Fermi-Level Pinning at Metal/n-Si(001) Interface Ensured by Forming an Intact Schottky Contact with a Graphene Insertion Layer.

PubMed

Yoon, Hoon Hahn; Jung, Sungchul; Choi, Gahyun; Kim, Junhyung; Jeon, Youngeun; Kim, Yong Soo; Jeong, Hu Young; Kim, Kwanpyo; Kwon, Soon-Yong; Park, Kibog

2017-01-11

We report the systematic experimental studies demonstrating that a graphene layer inserted at metal/n-Si(001) interface is efficient to explore interface Fermi-level pinning effect. It is confirmed that an inserted graphene layer prevents atomic interdiffusion to form an atomically abrupt Schottky contact. The Schottky barriers of metal/graphene/n-Si(001) junctions show a very weak dependence on metal work-function, implying that the metal Fermi-level is almost completely pinned at charge neutrality level close to the valence band edge of Si. The atomically impermeable and electronically transparent properties of graphene can be used generally to form an intact Schottky contact for all semiconductors.

Extending the Fermi-LAT data processing pipeline to the grid

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

Zimmer, S.; Arrabito, L.; Glanzman, T.

2015-05-12

The Data Handling Pipeline ("Pipeline") has been developed for the Fermi Gamma-Ray Space Telescope (Fermi) Large Area Telescope (LAT) which launched in June 2008. Since then it has been in use to completely automate the production of data quality monitoring quantities, reconstruction and routine analysis of all data received from the satellite and to deliver science products to the collaboration and the Fermi Science Support Center. Aside from the reconstruction of raw data from the satellite (Level 1), data reprocessing and various event-level analyses are also reasonably heavy loads on the pipeline and computing resources. These other loads, unlike Levelmore » 1, can run continuously for weeks or months at a time. Additionally, it receives heavy use in performing production Monte Carlo tasks.« less

Landau parameters for energy density functionals generated by local finite-range pseudopotentials

NASA Astrophysics Data System (ADS)

Idini, A.; Bennaceur, K.; Dobaczewski, J.

2017-06-01

In Landau theory of Fermi liquids, the particle-hole interaction near the Fermi energy in different spin-isospin channels is probed in terms of an expansion over the Legendre polynomials. This provides a useful and efficient way to constrain properties of nuclear energy density functionals in symmetric nuclear matter and finite nuclei. In this study, we present general expressions for Landau parameters corresponding to a two-body central local regularized pseudopotential. We also show results obtained for two recently adjusted NLO and N2LO parametrizations. Such pseudopotentials will be used to determine mean-field and beyond-mean-field properties of paired nuclei across the entire nuclear chart.

Microscopic theoretical study of frequency dependent dielectric constant of heavy fermion systems

NASA Astrophysics Data System (ADS)

Shadangi, Keshab Chandra; Rout, G. C.

2017-05-01

The dielectric polarization and the dielectric constant plays a vital role in the deciding the properties of the Heavy Fermion Systems. In the present communication we consider the periodic Anderson's Model which consists of conduction electron kinetic energy, localized f-electron kinetic energy and the hybridization between the conduction and localized electrons, besides the Coulomb correlation energy. We calculate dielectric polarization which involves two particle Green's functions which are calculated by using Zubarev's Green's function technique. Using the equations of motion of the fermion electron operators. Finally, the temperature and frequency dependent dielectric constant is calculated from the dielectric polarization function. The charge susceptibility and dielectric constant are computed numerically for different physical parameters like the position (Ef) of the f-electron level with respect to fermi level, the strength of the hybridization (V) between the conduction and localized f-electrons, Coulomb correlation potential temperature and optical phonon wave vector (q). The results will be discussed in a reference to the experimental observations of the dielectric constants.

Stabilization of Ag nanostructures by tuning their Fermi levels

NASA Astrophysics Data System (ADS)

Tani, Tadaaki; Kan, Ryota; Yamano, Yuka; Uchida, Takayuki

2018-05-01

The oxidation of Ag nanostructures has been studied as a key step for their degradation under the guiding principle in the previous paper that they are stable when their Fermi level is lower than those of their surroundings. The drop of the Fermi level of a thin Ag layer was caused by the formation of self-assembled monolayers (SAMs) of certain organic compounds including those of photographic interest and a monolayer of AgI, and attributed to the formation of dielectric layers, whose positive charges were closer to the Ag layer than negative charges. A consideration is given on further examinations needed to realize the above guiding principle in individual devices.

SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

2016-08-01

SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

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

NASA Astrophysics Data System (ADS)

Yazdani, Ahmad; Hamreh, Sajad

2018-03-01

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

Giant interfacial perpendicular magnetic anisotropy in Fe/CuIn 1 -xGaxSe2 beyond Fe/MgO

NASA Astrophysics Data System (ADS)

Masuda, Keisuke; Kasai, Shinya; Miura, Yoshio; Hono, Kazuhiro

2017-11-01

We study interfacial magnetocrystalline anisotropies in various Fe/semiconductor heterostructures by means of first-principles calculations. We find that many of those systems show perpendicular magnetic anisotropy (PMA) with a positive value of the interfacial anisotropy constant Ki. In particular, the Fe/CuInSe 2 interface has a large Ki of ˜2.3 mJ /m2 , which is about 1.6 times larger than that of Fe/MgO known as a typical system with relatively large PMA. We also find that the values of Ki in almost all the systems studied in this work follow the well-known Bruno's relation, which indicates that minority-spin states around the Fermi level provide dominant contributions to the interfacial magnetocrystalline anisotropies. Detailed analyses of the local density of states and wave-vector-resolved anisotropy energy clarify that the large Ki in Fe/CuInSe 2 is attributed to the preferable 3 d -orbital configurations around the Fermi level in the minority-spin states of the interfacial Fe atoms. Moreover, we have shown that the locations of interfacial Se atoms are the key for such orbital configurations of the interfacial Fe atoms.

Magnetic-field-induced mixed-level Kondo effect in two-level systems

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

Wong, Arturo; Ngo, Anh T.; Ulloa, Sergio E.

2016-10-17

We consider a two-orbital impurity system with intra-and interlevel Coulomb repulsion that is coupled to a single conduction channel. This situation can generically occur in multilevel quantum dots or in systems of coupled quantum dots. For finite energy spacing between spin-degenerate orbitals, an in-plane magnetic field drives the system from a local-singlet ground state to a "mixed-level" Kondo regime, where the Zeeman-split levels are degenerate for opposite-spin states. We use the numerical renormalization group approach to fully characterize this mixed-level Kondo state and discuss its properties in terms of the applied Zeeman field, temperature, and system parameters. Under suitable conditions,more » the total spectral function is shown to develop a Fermi-level resonance, so that the linear conductance of the system peaks at a finite Zeeman field while it decreases as a function of temperature. These features, as well as the local moment and entropy contribution of the impurity system, are commensurate with Kondo physics, which can be studied in suitably tuned quantum dot systems.« less

A broadband metamaterial absorber based on multi-layer graphene in the terahertz region

NASA Astrophysics Data System (ADS)

Fu, Pan; Liu, Fei; Ren, Guang Jun; Su, Fei; Li, Dong; Yao, Jian Quan

2018-06-01

A broadband metamaterial absorber, composed of the periodic graphene pattern on SiO2 dielectric with the double layer graphene films inserted in it and all of them backed by metal plan, is proposed and investigated. The simulation results reveal that the wide absorption band can be flexibly tuned between the low-frequency band and the high-frequency band by adjusting graphene's Fermi level. The absorption can achieve 90% in 5.50-7.10 THz, with Fermi level of graphene is 0.3 eV, while in 6.98-9.10 THz with Fermi level 0.6 eV. Furthermore, the proposed structure can be switched from reflection (>81%) to absorption (>90%) over the whole operation band, when the Fermi level of graphene varies from 0 to 0.6 eV. Besides, the proposed absorber is insensitive to the polarization and can work over a wide range of incident angle. Compared with the previous broadband absorber, our graphene based wideband terahertz absorber can enable a wide application of high performance terahertz devices, including sensors, imaging devices and electro-optic switches.

Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces

NASA Astrophysics Data System (ADS)

Segev, D.; Van de Walle, C. G.

2006-10-01

Using band structure and total energy methods, we study the atomic and electronic structures of the polar (+c and - c plane) and nonpolar (a and m plane) surfaces of GaN and InN. We identify two distinct microscopic origins for Fermi-level pinning on GaN and InN, depending on surface stoichiometry and surface polarity. At moderate Ga/N ratios unoccupied gallium dangling bonds pin the Fermi level on n-type GaN at 0.5 0.7 eV below the conduction-band minimum. Under highly Ga-rich conditions metallic Ga adlayers lead to Fermi-level pinning at 1.8 eV above the valence-band maximum. We also explain the source of the intrinsic electron accumulation that has been universally observed on polar InN surfaces. It is caused by In-In bonds leading to occupied surface states above the conduction-band minimum. We predict that such a charge accumulation will be absent on the nonpolar surfaces of InN, when prepared under specific conditions.

GaAsSb bandgap, surface fermi level, and surface state density studied by photoreflectance modulation spectroscopy

NASA Astrophysics Data System (ADS)

Hwang, J. S.; Tsai, J. T.; Su, I. C.; Lin, H. C.; Lu, Y. T.; Chiu, P. C.; Chyi, J. I.

2012-05-01

The bandgap, surface Fermi level, and surface state density of a series of GaAs1-xSbx surface intrinsic-n+ structures with GaAs as substrate are determined for various Sb mole fractions x by the photoreflectance modulation spectroscopy. The dependence of the bandgap on the mole composition x is in good agreement with previous measurements as well as predictions calculated using the dielectric model of Van Vechten and Bergstresser in Phys. Rev. B 1, 3551 (1970). For a particular composition x, the surface Fermi level is always strongly pinned within the bandgap of GaAs1-xSbx and we find its variation with composition x is well described by a function EF = 0.70 - 0.192 x for 0 ≦ x ≦ 0.35, a result which is notably different from that reported by Chouaib et al. [Appl. Phys. Lett. 93, 041913 (2008)]. Our results suggest that the surface Fermi level is pinned at the midgap of GaAs and near the valence band of the GaSb.

Fermi arc mediated entropy transport in topological semimetals

NASA Astrophysics Data System (ADS)

McCormick, Timothy M.; Watzman, Sarah J.; Heremans, Joseph P.; Trivedi, Nandini

2018-05-01

The low-energy excitations of topological Weyl semimetals are composed of linearly dispersing Weyl fermions that act as monopoles of Berry curvature in the bulk momentum space. Furthermore, on the surface there exist topologically protected Fermi arcs at the projections of these Weyl points. We propose a pathway for entropy transport involving Fermi arcs on one surface connecting to Fermi arcs on the other surface via the bulk Weyl monopoles. We present results for the temperature and magnetic field dependence of the magnetothermal conductance of this conveyor belt channel. The circulating currents result in a net entropy transport without any net charge transport. We provide results for the Fermi arc mediated magnetothermal conductivity in the low-field semiclassical limit as well as in the high-field ultraquantum limit, where only chiral Landau levels are involved. Our work provides a proposed signature of Fermi arc mediated magnetothermal transport and sets the stage for utilizing and manipulating the topological Fermi arcs in thermal applications.

Electronic fingerprints of DNA bases on graphene.

PubMed

Ahmed, Towfiq; Kilina, Svetlana; Das, Tanmoy; Haraldsen, Jason T; Rehr, John J; Balatsky, Alexander V

2012-02-08

We calculate the electronic local density of states (LDOS) of DNA nucleotide bases (A,C,G,T), deposited on graphene. We observe significant base-dependent features in the LDOS in an energy range within a few electronvolts of the Fermi level. These features can serve as electronic fingerprints for the identification of individual bases in scanning tunneling spectroscopy (STS) experiments that perform image and site dependent spectroscopy on biomolecules. Thus the fingerprints of DNA-graphene hybrid structures may provide an alternative route to DNA sequencing using STS. © 2012 American Chemical Society

Visualizing buried silicon atoms at the Cd-Si(111)-7 ×7 interface with localized electrons

NASA Astrophysics Data System (ADS)

Tao, Min-Long; Xiao, Hua-Fang; Sun, Kai; Tu, Yu-Bing; Yuan, Hong-Kuan; Xiong, Zu-Hong; Wang, Jun-Zhong; Xue, Qi-Kun

2017-09-01

We report the atomic-scale imaging of the buried Cd-Si(111)-7 ×7 interface with a low temperature scanning tunneling microscopy (STM). The Cd(0001) films grown on Si(111)-7 ×7 reveal the electronic growth mode, and manifest a series of quantum-well states. In the low-bias STM images, not only the 7 ×7 reconstruction but also individual Si adatoms buried by thick Cd islands are clearly visible. The two successive layers of Cd islands exhibit the distinct contrasts due to the quantum size effect. Moreover, we found a small gap appeared at Fermi level owing to the Anderson localization induced by interface scattering. The perfect transparency of Cd films can be attributed to the anisotropic electron motion, i.e., lateral electron localization and transverse motion like free-electron.

Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

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

Hahn, T., E-mail: torsten.hahn@physik.tu-freiberg.de; Liebing, S.; Kortus, J.

2015-12-14

The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbitalmore » positions in structurally similar molecules appear to be transferable.« less

The Advanced Gamma-ray Imaging System (AGIS): Extragalactic Science

NASA Astrophysics Data System (ADS)

Coppi, Paolo S.; Extragalactic Science Working Group; AGIS Collaboration

2010-03-01

The Advanced Gamma-ray Imaging System (AGIS), a proposed next-generation array of Cherenkov telescopes, will provide an unprecedented view of the high energy universe. We discuss how AGIS, with its larger effective area, improved angular resolution, lower threshold, and an order of magnitude increase in sensitivity, impacts the extragalactic science possible in the very high energy domain. Likely source classes detectable by AGIS include AGN, GRBs, clusters, star-forming galaxies, and possibly the cascade radiation surrounding powerful cosmic accelerators. AGIS should see many of the sources discovered by Fermi. With its better sensitivity and angular resolution, AGIS then becomes a key instrument for identifying and characterizing Fermi survey sources, the majority of which will have limited Fermi photon statistics and localizations.

Magnetic field effects on the local electronic structure near a single impurity in Graphene

NASA Astrophysics Data System (ADS)

Yang, Ling; Zhu, Jian-Xin; Tsai, Shan-Wen

2011-03-01

Impurities in graphene can have a significant effect on the local electronic structure of graphene when the Fermi level is near the Dirac point. We study the problem of an isolated impurity in a single layer graphene in the presence of a perpendicular magnetic field. We use a linearization approximation for the energy dispersion and employ a T-matrix formalism to calculate the Green's function. We investigate the effect of an external magnetic field on the Friedel oscillations and impurity-induced resonant states. Different types of impurities, such as vacancies, substitutional impurities, and adatoms, are also considered. LY and SWT acknowledge financial support from NSF(DMR-0847801)and from the UC Lab Fees Research Program.

Uniaxial ferromagnetism of local uranium moments in hexagonal UBeGe

NASA Astrophysics Data System (ADS)

Gumeniuk, Roman; Yaresko, Alexander N.; Schnelle, Walter; Nicklas, Michael; Kvashnina, Kristina O.; Hennig, Christoph; Grin, Yuri; Leithe-Jasper, Andreas

2018-05-01

The new intermetallic uranium beryllium germanide UBeGe and its thorium analogon ThBeGe crystallize with the hexagonal ZrBeSi type of structure. Studies of magnetic, thermal, and transport properties were performed on polycrystalline samples between 1.8 and 750K. UBeGe is a uniaxial ferromagnet and there are indications for two magnetic transitions at TC(1 )≈160 K and TC(2 )≈150 K . The high paramagnetic effective moment μeff≈3.1 μB , x-ray absorption near-edge spectroscopy (XANES, 17-300 K), as well as theoretical DFT calculations indicate localized U 5 f2 states in UBeGe. ThBeGe is a diamagnetic metallic material with low density of states at the Fermi level.

Local antiferromagnetic exchange and collaborative Fermi surface as key ingredients of high temperature superconductors

PubMed Central

Hu, Jiangping; Ding, Hong

2012-01-01

Cuprates, ferropnictides and ferrochalcogenides are three classes of unconventional high temperature superconductors, who share similar phase diagrams in which superconductivity develops after a magnetic order is suppressed, suggesting a strong interplay between superconductivity and magnetism, although the exact picture of this interplay remains elusive. Here we show that there is a direct bridge connecting antiferromagnetic exchange interactions determined in the parent compounds of these materials to the superconducting gap functions observed in the corresponding superconducting materials: in all high temperature superconductors, the Fermi surface topology matches the form factor of the pairing symmetry favored by local magnetic exchange interactions. We suggest that this match offers a principle guide to search for new high temperature superconductors. PMID:22536479

Extracting the temperature of hot carriers in time- and angle-resolved photoemission.

PubMed

Ulstrup, Søren; Johannsen, Jens Christian; Grioni, Marco; Hofmann, Philip

2014-01-01

The interaction of light with a material's electronic system creates an out-of-equilibrium (non-thermal) distribution of optically excited electrons. Non-equilibrium dynamics relaxes this distribution on an ultrafast timescale to a hot Fermi-Dirac distribution with a well-defined temperature. The advent of time- and angle-resolved photoemission spectroscopy (TR-ARPES) experiments has made it possible to track the decay of the temperature of the excited hot electrons in selected states in the Brillouin zone, and to reveal their cooling in unprecedented detail in a variety of emerging materials. It is, however, not a straightforward task to determine the temperature with high accuracy. This is mainly attributable to an a priori unknown position of the Fermi level and the fact that the shape of the Fermi edge can be severely perturbed when the state in question is crossing the Fermi energy. Here, we introduce a method that circumvents these difficulties and accurately extracts both the temperature and the position of the Fermi level for a hot carrier distribution by tracking the occupation statistics of the carriers measured in a TR-ARPES experiment.

Anomalous Nernst and thermal Hall effects in tilted Weyl semimetals

NASA Astrophysics Data System (ADS)

Ferreiros, Yago; Zyuzin, A. A.; Bardarson, Jens H.

2017-09-01

We study the anomalous Nernst and thermal Hall effects in a linearized low-energy model of a tilted Weyl semimetal, with two Weyl nodes separated in momentum space. For inversion symmetric tilt, we give analytic expressions in two opposite limits: For a small tilt, corresponding to a type-I Weyl semimetal, the Nernst conductivity is finite and independent of the Fermi level; for a large tilt, corresponding to a type-II Weyl semimetal, it acquires a contribution depending logarithmically on the Fermi energy. This result is in a sharp contrast to the nontilted case, where the Nernst response is known to be zero in the linear model. The thermal Hall conductivity similarly acquires Fermi surface contributions, which add to the Fermi level-independent, zero-tilt result, and is suppressed as one over the tilt parameter at half filling in the type-II phase. In the case of inversion-breaking tilt, with the tilting vector of equal modulus in the two Weyl cones, all Fermi surface contributions to both anomalous responses cancel out, resulting in zero Nernst conductivity. We discuss two possible experimental setups, representing open and closed thermoelectric circuits.

Light Emission by Nonequilibrium Bodies: Local Kirchhoff Law

NASA Astrophysics Data System (ADS)

Greffet, Jean-Jacques; Bouchon, Patrick; Brucoli, Giovanni; Marquier, François

2018-04-01

The goal of this paper is to introduce a local form of Kirchhoff law to model light emission by nonequilibrium bodies. While absorption by a finite-size body is usually described using the absorption cross section, we introduce a local absorption rate per unit volume and also a local thermal emission rate per unit volume. Their equality is a local form of Kirchhoff law. We revisit the derivation of this equality and extend it to situations with subsystems in local thermodynamic equilibrium but not in equilibrium between them, such as hot electrons in a metal or electrons with different Fermi levels in the conduction band and in the valence band of a semiconductor. This form of Kirchhoff law can be used to model (i) thermal emission by nonisothermal finite-size bodies, (ii) thermal emission by bodies with carriers at different temperatures, and (iii) spontaneous emission by semiconductors under optical (photoluminescence) or electrical pumping (electroluminescence). Finally, we show that the reciprocity relation connecting light-emitting diodes and photovoltaic cells derived by Rau is a particular case of the local Kirchhoff law.

Relativistic Thomas-Fermi treatment of compressed atoms and compressed nuclear matter cores of stellar dimensions

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

Rotondo, M.; Rueda, Jorge A.; Xue, S.-S.

The Feynman-Metropolis-Teller treatment of compressed atoms is extended to the relativistic regimes. Each atomic configuration is confined by a Wigner-Seitz cell and is characterized by a positive electron Fermi energy. The nonrelativistic treatment assumes a pointlike nucleus and infinite values of the electron Fermi energy can be attained. In the relativistic treatment there exists a limiting configuration, reached when the Wigner-Seitz cell radius equals the radius of the nucleus, with a maximum value of the electron Fermi energy (E{sub e}{sup F}){sub max}, here expressed analytically in the ultrarelativistic approximation. The corrections given by the relativistic Thomas-Fermi-Dirac exchange term are alsomore » evaluated and shown to be generally small and negligible in the relativistic high-density regime. The dependence of the relativistic electron Fermi energies by compression for selected nuclei are compared and contrasted to the nonrelativistic ones and to the ones obtained in the uniform approximation. The relativistic Feynman-Metropolis-Teller approach here presented overcomes some difficulties in the Salpeter approximation generally adopted for compressed matter in physics and astrophysics. The treatment is then extrapolated to compressed nuclear matter cores of stellar dimensions with A{approx_equal}(m{sub Planck}/m{sub n}){sup 3}{approx}10{sup 57} or M{sub core}{approx}M{sub {circle_dot}}. A new family of equilibrium configurations exists for selected values of the electron Fermi energy varying in the range 0

Electronic structure study of wide band gap magnetic semiconductor (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} nanocrystals in paramagnetic and ferromagnetic phases

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

Dwivedi, G. D.; Chou, H.; Yang, K. S.

2016-04-25

X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} near Fermi-level. XMCD results indicate that Mn{sup 3+} and Mn{sup 4+} spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below T{sub C}. The valence bandmore » UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.« less

Electron storage in single wall carbon nanotubes. Fermi level equilibration in semiconductor-SWCNT suspensions.

PubMed

Kongkanand, Anusorn; Kamat, Prashant V

2007-08-01

The use of single wall carbon nanotubes (SWCNTs) as conduits for transporting electrons in a photoelectrochemical solar cell and electronic devices requires better understanding of their electron-accepting properties. When in contact with photoirradiated TiO(2) nanoparticles, SWCNTs accept and store electrons. The Fermi level equilibration with photoirradiated TiO(2) particles indicates storage of up to 1 electron per 32 carbon atoms in the SWCNT. The stored electrons are readily discharged on demand upon addition of electron acceptors such as thiazine and oxazine dyes (reduction potential less negative than that of the SWCNT conduction band) to the TiO(2)-SWCNT suspension. The stepwise electron transfer from photoirradiated TiO(2) nanoparticles --> SWCNT --> redox couple has enabled us to probe the electron equilibration process and determine the apparent Fermi level of the TiO(2)-SWCNT system. A positive shift in apparent Fermi level (20-30 mV) indicates the ability of SWCNTs to undergo charge equilibration with photoirradiated TiO(2) particles. The dependence of discharge capacity on the reduction potential of the dye redox couple is compared for TiO(2) and TiO(2)-SWCNT systems under equilibration conditions.

Defect quasi Fermi level control-based CN reduction in GaN: Evidence for the role of minority carriers

NASA Astrophysics Data System (ADS)

Reddy, Pramod; Kaess, Felix; Tweedie, James; Kirste, Ronny; Mita, Seiji; Collazo, Ramon; Sitar, Zlatko

2017-10-01

Compensating point defect reduction in wide bandgap semiconductors is possible by above bandgap illumination based defect quasi Fermi level (dQFL) control. The point defect control technique employs excess minority carriers that influence the dQFL of the compensator, increase the corresponding defect formation energy, and consequently are responsible for point defect reduction. Previous studies on various defects in GaN and AlGaN have shown good agreement with the theoretical model, but no direct evidence for the role of minority carriers was provided. In this work, we provide direct evidence for the role of minority carriers in reducing point defects by studying the predicted increase in work done against defect (CN-1) formation with the decrease in the Fermi level (free carrier concentration) in Si doped GaN at a constant illumination intensity. Comparative defect photoluminescence measurements on illuminated and dark regions of GaN show an excellent quantitative agreement with the theory by exhibiting a greater reduction in yellow luminescence attributed to CN-1 at lower doping, thereby providing conclusive evidence for the role of the minority carriers in Fermi level control-based point defect reduction.

Conjugate-gradient optimization method for orbital-free density functional calculations.

PubMed

Jiang, Hong; Yang, Weitao

2004-08-01

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.

A tool to estimate the Fermi Large Area Telescope background for short-duration observations

DOE PAGES

Vasileiou, Vlasios

2013-07-25

Here, the proper estimation of the background is a crucial component of data analyses in astrophysics, such as source detection, temporal studies, spectroscopy, and localization. For the case of the Large Area Telescope (LAT) on board the Fermi spacecraft, approaches to estimate the background for short (≲1000 s duration) observations fail if they ignore the strong dependence of the LAT background on the continuously changing observational conditions. We present a (to be) publicly available background-estimation tool created and used by the LAT Collaboration in several analyses of Gamma Ray Bursts. This tool can accurately estimate the expected LAT background formore » any observational conditions, including, for example, observations with rapid variations of the Fermi spacecraft’s orientation occurring during automatic repointings.« less

Electronic structure Fermi liquid theory of high Tc superconductors: Comparison of predictions with experiments

NASA Technical Reports Server (NTRS)

Yu, Jaejun; Freeman, A. J.

1991-01-01

Predictions of local density functional (LDF) calculations of the electronic structure and transport properties of high T(sub c) superconductors are presented. As evidenced by the excellent agreement with both photoemission and positron annihilation experiments, a Fermi liquid nature of the 'normal' state of the high T(sub c) superconductors become clear for the metallic phase of these oxides. In addition, LDF predictions on the normal state transport properties are qualitatively in agreement with experiments on single crystals. It is emphasized that the signs of the Hall coefficients for the high T(sub c) superconductors are not consistent with the types of dopants (e.g., electron-doped or hole-doped) but are determined by the topology of the Fermi surfaces obtained from the LDF calculations.

Spin-imbalance in a 2D Fermi-Hubbard system

NASA Astrophysics Data System (ADS)

Brown, Peter T.; Mitra, Debayan; Guardado-Sanchez, Elmer; Schauß, Peter; Kondov, Stanimir S.; Khatami, Ehsan; Paiva, Thereza; Trivedi, Nandini; Huse, David A.; Bakr, Waseem S.

2017-09-01

The interplay of strong interactions and magnetic fields gives rise to unusual forms of superconductivity and magnetism in quantum many-body systems. Here, we present an experimental study of the two-dimensional Fermi-Hubbard model—a paradigm for strongly correlated fermions on a lattice—in the presence of a Zeeman field and varying doping. Using site-resolved measurements, we revealed anisotropic antiferromagnetic correlations, a precursor to long-range canted order. We observed nonmonotonic behavior of the local polarization with doping for strong interactions, which we attribute to the evolution from an antiferromagnetic insulator to a metallic phase. Our results pave the way to experimentally mapping the low-temperature phase diagram of the Fermi-Hubbard model as a function of both doping and spin polarization, for which many open questions remain.

Searching for high-energy gamma-ray counterparts to gravitational-wave sources with Fermi-LAT: A needle in a haystack

DOE PAGES

Vianello, G.; Omodei, N.; Chiang, J.; ...

2017-05-20

At least a fraction of gravitational-wave (GW) progenitors are expected to emit an electromagnetic (EM) signal in the form of a short gamma-ray burst (sGRB). Discovering such a transient EM counterpart is challenging because the LIGO/VIRGO localization region is much larger (several hundreds of square degrees) than the field of view of X-ray, optical, and radio telescopes. The Fermi Large Area Telescope (LAT) has a wide field of view (~2.4 sr) and detects ~2–3 sGRBs per year above 100 MeV. It can detect them not only during the short prompt phase, but also during their long-lasting high-energy afterglow phase. If other wide-field, high-energy instruments such as Fermi-GBM, Swift-BAT, or INTEGRAL-ISGRI cannot detect or localize with enough precision an EM counterpart during the prompt phase, the LAT can potentially pinpoint it withmore » $$\\lesssim 10$$ arcmin accuracy during the afterglow phase. This routinely happens with gamma-ray bursts. Moreover, the LAT will cover the entire localization region within hours of any triggers during normal operations, allowing the γ-ray flux of any EM counterpart to be measured or constrained. As a result, we illustrate two new ad hoc methods to search for EM counterparts with the LAT and their application to the GW candidate LVT151012.« less

Searching for high-energy gamma-ray counterparts to gravitational-wave sources with Fermi-LAT: A needle in a haystack

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

Vianello, G.; Omodei, N.; Chiang, J.

At least a fraction of gravitational-wave (GW) progenitors are expected to emit an electromagnetic (EM) signal in the form of a short gamma-ray burst (sGRB). Discovering such a transient EM counterpart is challenging because the LIGO/VIRGO localization region is much larger (several hundreds of square degrees) than the field of view of X-ray, optical, and radio telescopes. The Fermi Large Area Telescope (LAT) has a wide field of view (~2.4 sr) and detects ~2–3 sGRBs per year above 100 MeV. It can detect them not only during the short prompt phase, but also during their long-lasting high-energy afterglow phase. If other wide-field, high-energy instruments such as Fermi-GBM, Swift-BAT, or INTEGRAL-ISGRI cannot detect or localize with enough precision an EM counterpart during the prompt phase, the LAT can potentially pinpoint it withmore » $$\\lesssim 10$$ arcmin accuracy during the afterglow phase. This routinely happens with gamma-ray bursts. Moreover, the LAT will cover the entire localization region within hours of any triggers during normal operations, allowing the γ-ray flux of any EM counterpart to be measured or constrained. As a result, we illustrate two new ad hoc methods to search for EM counterparts with the LAT and their application to the GW candidate LVT151012.« less

Origin of the non-monotonic variance of Tc in the 1111 iron based superconductors with isovalent doping

PubMed Central

Usui, Hidetomo; Suzuki, Katsuhiro; Kuroki, Kazuhiko

2015-01-01

Motivated by recent experimental investigations of the isovalent doping iron-based superconductors LaFe(AsxP1-x)O1-yFy and NdFe(AsxP1-x)O1-yFy, we theoretically study the correlation between the local lattice structure, the Fermi surface, the spin fluctuation-mediated superconductivity, and the composition ratio. In the phosphides, the dXZ and dYZ orbitals barely hybridize around the Γ point to give rise to two intersecting ellipse shape Fermi surfaces. As the arsenic content increases and the Fe-As-Fe bond angle is reduced, the hybridization increases, so that the two bands are mixed to result in concentric inner and outer Fermi surfaces, and the orbital character gradually changes to dxz and dyz, where x–y axes are rotated by 45 degrees from X–Y. This makes the orbital matching between the electron and hole Fermi surfaces better and enhances the spin fluctuation within the dxz/yz orbitals. On the other hand, the hybridization splits the two bands, resulting in a more dispersive inner band. Hence, there is a trade-off between the density of states and the orbital matching, thereby locally maximizing the dxz/yz spin fluctuation and superconductivity in the intermediate regime of As/P ratio. The consistency with the experiment strongly indicate the importance of the spin fluctuation played in this series of superconductors. PMID:26073071

Graphene in ohmic contact for both n-GaN and p-GaN

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

Zhong, Haijian; Liu, Zhenghui; Shi, Lin

The wrinkles of single layer graphene contacted with either n-GaN or p-GaN were found both forming ohmic contacts investigated by conductive atomic force microscopy. The local I–V results show that some of the graphene wrinkles act as high-conductive channels and exhibiting ohmic behaviors compared with the flat regions with Schottky characteristics. We have studied the effects of the graphene wrinkles using density-functional-theory calculations. It is found that the standing and folded wrinkles with zigzag or armchair directions have a tendency to decrease or increase the local work function, respectively, pushing the local Fermi level towards n- or p-type GaN andmore » thus improving the transport properties. These results can benefit recent topical researches and applications for graphene as electrode material integrated in various semiconductor devices.« less

Generating Localized Nonlinear Excitations in the Fermi-Pasta-Ulam-Tsingou chains

NASA Astrophysics Data System (ADS)

Westley, Alexandra; Sen, Surajit

Here, we will discuss properties of energy trapping in the decorated Fermi-Pasta-Ulam-Tsingou (FPUT) mass-spring chains with quadratic and quartic coupling terms. It is well-known that the FPUT system admits highly localized nonlinear excitations (LNE) which are stable for long periods of time. We seek to generate these LNEs at will by creating regions in the chain of stiffer or softer springs, or by placing mass impurities throughout. We will show that NLEs tend to coalesce in regions of stiff springs from random perturbations throughout the system. These locations may serve as extremely powerful energy traps or heat sinks in certain materials. Furthermore, we will demonstrate that this process occurs by means of trapping solitary (or anti-solitary) waves into tight spaces.

Thermodynamics of GaN(s)-NH3(v)+N2(v)+H2(v) system - Electronic aspects of the processes at GaN(0001) surface

NASA Astrophysics Data System (ADS)

Kempisty, Pawel; Strak, Pawel; Sakowski, Konrad; Krukowski, Stanislaw

2017-08-01

Comprehensive analysis of GaN(0001) surface in equilibrium with ammonia/hydrogen mixture was undertaken using results of ab initio calculations. Adsorption energies of the species derived from ammonia and molecular hydrogen and their stable sites were obtained. It was shown that the adsorption process type and energy depend on the position of Fermi level at the surface. Hydrogen decomposes into two separate H atoms, always adsorbed in the positions on top of the surface Ga atoms (On-top). Ammonia adsorption at GaN(0001) surface proceeds molecularly to ammonia in the On-top position or dissociatively into NH2 radicals in bridge (NH2-bridge) or On-top positions or into NH radicals in H3 (NH-H3) site. Presence of these species affects Fermi level pinning at the surface due to creation of new surface states. The Fermi level pinning in function of the surface attached species concentration was determined using extended electron counting rule (EECR). Results of ab initio calculations fully proved validity of the EECR predictions. Thermodynamic analysis of the surface in equilibrium with molecular hydrogen and ammonia vapor mixture is made giving the range of ammonia and hydrogen pressures, corresponding to Fermi level pinned at Ga-broken bond state for NH-H3&H and NH3&H and NH2-bridge&H coverage and at VBM for NH3 & H coverage. As the region of Fermi level pinned at Ga broken bond state corresponds to very low pressures, at pressures close to normal, GaN(0001) surface is almost totally covered by H, NH3 and NH2 located in On-top positions. It is also shown however that dominant portion of the hydrogen and ammonia pressures corresponds to Fermi level not pinned. Among them are these corresponding to MOVPE and HVPE growth conditions in which the surface is almost fully covered by NH3, NH2 and H species in On-top positions.

Modified Bose-Einstein and Fermi-Dirac statistics if excitations are localized on an intermediate length scale: applications to non-Debye specific heat.

PubMed

Chamberlin, Ralph V; Davis, Bryce F

2013-10-01

Disordered systems show deviations from the standard Debye theory of specific heat at low temperatures. These deviations are often attributed to two-level systems of uncertain origin. We find that a source of excess specific heat comes from correlations between quanta of energy if excitations are localized on an intermediate length scale. We use simulations of a simplified Creutz model for a system of Ising-like spins coupled to a thermal bath of Einstein-like oscillators. One feature of this model is that energy is quantized in both the system and its bath, ensuring conservation of energy at every step. Another feature is that the exact entropies of both the system and its bath are known at every step, so that their temperatures can be determined independently. We find that there is a mismatch in canonical temperature between the system and its bath. In addition to the usual finite-size effects in the Bose-Einstein and Fermi-Dirac distributions, if excitations in the heat bath are localized on an intermediate length scale, this mismatch is independent of system size up to at least 10(6) particles. We use a model for correlations between quanta of energy to adjust the statistical distributions and yield a thermodynamically consistent temperature. The model includes a chemical potential for units of energy, as is often used for other types of particles that are quantized and conserved. Experimental evidence for this model comes from its ability to characterize the excess specific heat of imperfect crystals at low temperatures.

Band gap modulation in magnetically doped low-defect thin films of (Bi1-xSbx)2 Te3 with minimized bulk carrier concentration

NASA Astrophysics Data System (ADS)

Maximenko, Yulia; Scipioni, Kane; Wang, Zhenyu; Katmis, Ferhat; Steiner, Charles; Weis, Adam; van Harlingen, Dale; Madhavan, Vidya

Topological insulators Bi2Te3 and Sb2Te3 are promising materials for electronics, but both are naturally prone to vacancies and anti-site defects that move the Fermi energy onto the bulk bands. Fabricating (Bi1-xSbx)2 Te3 (BST) with the tuned x minimizes point defects and unmasks topological surface states by reducing bulk carriers. BST thin films have shown topological surface states and quantum anomalous Hall effect. However, different studies reported variable Sb:Bi ratios used to grow an undoped BST film. Here, we develop a reliable way to grow defect-free subnanometer-flat BST thin films having the Fermi energy tuned to the Dirac point. High-resolution scanning tunneling microscopy (STM) and Landau level spectroscopy prove the importance of crystallinity and surface roughness-not only Sb:Bi ratio-for the final bulk carrier concentration. The BST thin films were doped with Cr and studied with STM with atomic resolution. Counterintuitively, Cr density is anticorrelated with the local band gap due to Cr's antiferromagnetic order. We analyze the correlations and report the relevant band gap values. Predictably, high external magnetic field compromises antiferromagnetic order, and the local band gap increases. US DOE DE-SC0014335; Moore Found. GBMF4860; F. Seitz MRL.

Calculation of the Schottky barrier and current–voltage characteristics of metal–alloy structures based on silicon carbide

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

Altuhov, V. I., E-mail: altukhovv@mail.ru; Kasyanenko, I. S.; Sankin, A. V.

2016-09-15

A simple but nonlinear model of the defect density at a metal–semiconductor interface, when a Schottky barrier is formed by surface defects states localized at the interface, is developed. It is shown that taking the nonlinear dependence of the Fermi level on the defect density into account leads to a Schottky barrier increase by 15–25%. The calculated barrier heights are used to analyze the current–voltage characteristics of n-M/p-(SiC){sub 1–x}(AlN){sub x} structures. The results of calculations are compared to experimental data.

Utilization of the Boltzmann tail of TED for the calculation of the ``absolute'' work function and local field strength in FEM

NASA Astrophysics Data System (ADS)

Wysocki, J. K.

1984-02-01

The idea of Young and Clark of independent evaluation of the work function φ and electric field strength F in FEM [R.D. Young and H.E. Clark, Phys. Rev. Letters 17 (1966) 351] has been extended to the energy region above the Fermi level. The estimation of slowly varying elliptic functions, necessary to compute φ and F, using only experimental data is presented. Calculations for the W(111) plane using the field electron energy distribution and the integral field-emission current dependence on retarding voltage have been performed.

Modulational estimate for the maximal Lyapunov exponent in Fermi-Pasta-Ulam chains

NASA Astrophysics Data System (ADS)

Dauxois, Thierry; Ruffo, Stefano; Torcini, Alessandro

1997-12-01

In the framework of the Fermi-Pasta-Ulam (FPU) model, we show a simple method to give an accurate analytical estimation of the maximal Lyapunov exponent at high energy density. The method is based on the computation of the mean value of the modulational instability growth rates associated to unstable modes. Moreover, we show that the strong stochasticity threshold found in the β-FPU system is closely related to a transition in tangent space, the Lyapunov eigenvector being more localized in space at high energy.

Suppression of the "Quasiclassical" proximity gap in correlated-metal--superconductor structures.

PubMed

Nikolić, Branislav K; Freericks, J K; Miller, P

2002-02-18

We study the energy and spatial dependence of the local density of states in a superconductor--correlated-metal--superconductor Josephson junction, where the correlated metal is a non-Fermi liquid (described by the Falicov-Kimball model). Many-body correlations are treated with dynamical mean-field theory, extended to inhomogeneous systems. While quasiclassical theories predict a minigap in the spectrum of a disordered Fermi liquid which is proximity-coupled within a mesoscopic junction, we find that increasing electron correlations destroy any minigap that might be opened in the absence of many-body correlations.

Splitting Fermi Surfaces and Heavy Electronic States in Non-Centrosymmetric U3Ni3Sn4

NASA Astrophysics Data System (ADS)

Maurya, Arvind; Harima, Hisatomo; Nakamura, Ai; Shimizu, Yusei; Homma, Yoshiya; Li, DeXin; Honda, Fuminori; Sato, Yoshiki J.; Aoki, Dai

2018-04-01

We report the single-crystal growth of the non-centrosymmetric paramagnet U3Ni3Sn4 by the Bridgman method and the Fermi surface properties detected by de Haas-van Alphen (dHvA) experiments. We have also investigated single-crystal U3Ni3Sn4 by single-crystal X-ray diffraction, magnetization, electrical resistivity, and heat capacity measurements. The angular dependence of the dHvA frequencies reveals many closed Fermi surfaces, which are nearly spherical in topology. The experimental results are in good agreement with local density approximation (LDA) band structure calculations based on the 5f-itinerant model. The band structure calculation predicts many Fermi surfaces, mostly with spherical shape, derived from 12 bands crossing the Fermi energy. To our knowledge, the splitting of Fermi surfaces due to the non-centrosymmetric crystal in 5f-electron systems is experimentally detected for the first time. The temperature dependence of the dHvA amplitude reveals a large cyclotron effective mass of up to 35 m0, indicating the heavy electronic state of U3Ni3Sn4 due to the proximity of the quantum critical point. From the field dependence of the dHvA amplitude, a mean free path of conduction electrons of up to 1950 Å is detected, reflecting the good quality of the grown crystal. The small splitting energy related to the antisymmetric spin-orbit interaction is most likely due to the large cyclotron effective mass.

DO THE FERMI GAMMA-RAY BURST MONITOR AND SWIFT BURST ALERT TELESCOPE SEE THE SAME SHORT GAMMA-RAY BURSTS?

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

Burns, Eric; Briggs, Michael S.; Connaughton, Valerie

2016-02-20

Compact binary system mergers are expected to generate gravitational radiation detectable by ground-based interferometers. A subset of these, the merger of a neutron star with another neutron star or a black hole, are also the most popular model for the production of short gamma-ray bursts (GRBs). The Swift Burst Alert Telescope (BAT) and the Fermi Gamma-ray Burst Monitor (GBM) trigger on short GRBs (SGRBs) at rates that reflect their relative sky exposures, with the BAT detecting 10 per year compared to about 45 for GBM. We examine the SGRB populations detected by Swift BAT and Fermi GBM. We find thatmore » the Swift BAT triggers on weaker SGRBs than Fermi GBM, providing they occur close to the center of the BAT field of view, and that the Fermi GBM SGRB detection threshold remains flatter across its field of view. Overall, these effects combine to give the instruments the same average sensitivity, and account for the SGRBs that trigger one instrument but not the other. We do not find any evidence that the BAT and GBM are detecting significantly different populations of SGRBs. Both instruments can detect untriggered SGRBs using ground searches seeded with time and position. The detection of SGRBs below the on-board triggering sensitivities of Swift BAT and Fermi GBM increases the possibility of detecting and localizing the electromagnetic counterparts of gravitational wave (GW) events seen by the new generation of GW detectors.« less

Correlation-Induced Self-Doping in the Iron-Pnictide Superconductor Ba2Ti2Fe2As4O

NASA Astrophysics Data System (ADS)

Ma, J.-Z.; van Roekeghem, A.; Richard, P.; Liu, Z.-H.; Miao, H.; Zeng, L.-K.; Xu, N.; Shi, M.; Cao, C.; He, J.-B.; Chen, G.-F.; Sun, Y.-L.; Cao, G.-H.; Wang, S.-C.; Biermann, S.; Qian, T.; Ding, H.

2014-12-01

The electronic structure of the iron-based superconductor Ba2Ti2Fe2As4O (Tconset=23.5 K ) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field theory calculations. The electronic states near the Fermi level are dominated by both the Fe 3 d and Ti 3 d orbitals, indicating that the spacer layers separating different FeAs layers are also metallic. By counting the enclosed volumes of the Fermi surface sheets, we observe a large self-doping effect; i.e., 0.25 electrons per unit cell are transferred from the FeAs layer to the Ti2As2O layer, leaving the FeAs layer in a hole-doped state. This exotic behavior is successfully reproduced by our dynamical mean field calculations, in which the self-doping effect is attributed to the electronic correlations in the 3 d shells. Our work provides an alternative route of effective doping without element substitution for iron-based superconductors.

Exotic ferromagnetism in the two-dimensional quantum material C3N

NASA Astrophysics Data System (ADS)

Huang, Wen-Cheng; Li, Wei; Liu, Xiaosong

2018-04-01

The search for and study of exotic quantum states in novel low-dimensional quantum materials have triggered extensive research in recent years. Here, we systematically study the electronic and magnetic structures in the newly discovered two-dimensional quantum material C3N within the framework of density functional theory. The calculations demonstrate that C3N is an indirect-band semiconductor with an energy gap of 0.38 eV, which is in good agreement with experimental observations. Interestingly, we find van Hove singularities located at energies near the Fermi level, which is half that of graphene. Thus, the Fermi energy easily approaches that of the singularities, driving the system to ferromagnetism, under charge carrier injection, such as electric field gating or hydrogen doping. These findings not only demonstrate that the emergence of magnetism stems from the itinerant electron mechanism rather than the effects of local magnetic impurities, but also open a new avenue to designing field-effect transistor devices for possible realization of an insulator-ferromagnet transition by tuning an external electric field.

Optical conductivity of an interacting Weyl liquid in the collisionless regime

NASA Astrophysics Data System (ADS)

Roy, Bitan; Juričić, Vladimir

2017-10-01

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

NMR study of B-2p Fermi-level density of states in the transition metal diborides

NASA Astrophysics Data System (ADS)

Lue, C. S.; Lai, W. J.

2005-04-01

We present a systematic study of the AlB2-type transition metal diborides by measuring the 11B NMR spin-lattice relaxation rate on TiB2, VB2, ZrB2, NbB2, HfB2, as well as TaB2. For all studied materials, the observed relaxation at B nuclei is mainly due to the p-electrons. The comparison with theoretical calculations allows the experimental determination of the partial B-2p Fermi-level density of states (DOS). In addition, the extracted B-2p Fermi-level DOS values in TiB2, ZrB2, and HfB are consistently smaller than in VB2, NbB2, and TaB2. We connect this trend to the rigid-band scenario raised by band structure calculations.

Fermi Level Control of Point Defects During Growth of Mg-Doped GaN

NASA Astrophysics Data System (ADS)

Bryan, Zachary; Hoffmann, Marc; Tweedie, James; Kirste, Ronny; Callsen, Gordon; Bryan, Isaac; Rice, Anthony; Bobea, Milena; Mita, Seiji; Xie, Jinqiao; Sitar, Zlatko; Collazo, Ramón

2013-05-01

In this study, Fermi level control of point defects during metalorganic chemical vapor deposition (MOCVD) of Mg-doped GaN has been demonstrated by above-bandgap illumination. Resistivity and photoluminescence (PL) measurements are used to investigate the Mg dopant activation of samples with Mg concentration of 2 × 1019 cm-3 grown with and without exposure to ultraviolet (UV) illumination. Samples grown under UV illumination have five orders of magnitude lower resistivity values compared with typical unannealed GaN:Mg samples. The PL spectra of samples grown with UV exposure are similar to the spectra of those grown without UV exposure that were subsequently annealed, indicating a different incorporation of compensating defects during growth. Based on PL and resistivity measurements we show that Fermi level control of point defects during growth of III-nitrides is feasible.

Polaron-to-Polaron Transitions in the Radio-Frequency Spectrum of a Quasi-Two-Dimensional Fermi Gas

NASA Astrophysics Data System (ADS)

Zhang, Y.; Ong, W.; Arakelyan, I.; Thomas, J. E.

2012-06-01

We measure radio-frequency spectra for a two-component mixture of a Li6 atomic Fermi gas in a quasi-two-dimensional regime with the Fermi energy comparable to the energy level spacing in the tightly confining potential. Near the Feshbach resonance, we find that the observed resonances do not correspond to transitions between confinement-induced dimers. The spectral shifts can be fit by assuming transitions between noninteracting polaron states in two dimensions.

Cloud services for the Fermilab scientific stakeholders

DOE PAGES

Timm, S.; Garzoglio, G.; Mhashilkar, P.; ...

2015-12-23

As part of the Fermilab/KISTI cooperative research project, Fermilab has successfully run an experimental simulation workflow at scale on a federation of Amazon Web Services (AWS), FermiCloud, and local FermiGrid resources. We used the CernVM-FS (CVMFS) file system to deliver the application software. We established Squid caching servers in AWS as well, using the Shoal system to let each individual virtual machine find the closest squid server. We also developed an automatic virtual machine conversion system so that we could transition virtual machines made on FermiCloud to Amazon Web Services. We used this system to successfully run a cosmic raymore » simulation of the NOvA detector at Fermilab, making use of both AWS spot pricing and network bandwidth discounts to minimize the cost. On FermiCloud we also were able to run the workflow at the scale of 1000 virtual machines, using a private network routable inside of Fermilab. As a result, we present in detail the technological improvements that were used to make this work a reality.« less

Cloud services for the Fermilab scientific stakeholders

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

Timm, S.; Garzoglio, G.; Mhashilkar, P.

As part of the Fermilab/KISTI cooperative research project, Fermilab has successfully run an experimental simulation workflow at scale on a federation of Amazon Web Services (AWS), FermiCloud, and local FermiGrid resources. We used the CernVM-FS (CVMFS) file system to deliver the application software. We established Squid caching servers in AWS as well, using the Shoal system to let each individual virtual machine find the closest squid server. We also developed an automatic virtual machine conversion system so that we could transition virtual machines made on FermiCloud to Amazon Web Services. We used this system to successfully run a cosmic raymore » simulation of the NOvA detector at Fermilab, making use of both AWS spot pricing and network bandwidth discounts to minimize the cost. On FermiCloud we also were able to run the workflow at the scale of 1000 virtual machines, using a private network routable inside of Fermilab. As a result, we present in detail the technological improvements that were used to make this work a reality.« less

The first γ-ray detection of the narrow-line Seyfert 1 FBQS J1644+2619

DOE PAGES

D'Ammando, F.; Orienti, M.; Larsson, J.; ...

2015-07-06

Here, we report the discovery of γ-ray emission from the narrow-line Seyfert 1 (NLSy1) galaxy FBQS J1644+2619 by the Large Area Telescope on board the Fermi satellite. The Third Fermi LAT Source catalogue reports an unidentified γ-ray source, detected over the first four years of Fermi operation, 0.°23 from the radio position of the NLSy1. Analysing 76 months of γ-ray data (2008 August 4–2014 December 31) we are able to better constrain the localization of the γ-ray source. The new position of the γ- ray source is 0.°05 from FBQS J1644+2619, suggesting a spatial association with the NLSy1. This ismore » the sixth NLSy1 detected at high significance by Fermi-LAT so far. Notably, a significant increase of activity was observed in γ-rays from FBQS J1644+2619 during 2012 July–October, and an increase of activity in V -band was detected by the Catalina Real-Time Sky Survey in the same period.« less

Fermi Surface of Sr_{2}RuO_{4}: Spin-Orbit and Anisotropic Coulomb Interaction Effects.

PubMed

Zhang, Guoren; Gorelov, Evgeny; Sarvestani, Esmaeel; Pavarini, Eva

2016-03-11

The topology of the Fermi surface of Sr_{2}RuO_{4} is well described by local-density approximation calculations with spin-orbit interaction, but the relative size of its different sheets is not. By accounting for many-body effects via dynamical mean-field theory, we show that the standard isotropic Coulomb interaction alone worsens or does not correct this discrepancy. In order to reproduce experiments, it is essential to account for the Coulomb anisotropy. The latter is small but has strong effects; it competes with the Coulomb-enhanced spin-orbit coupling and the isotropic Coulomb term in determining the Fermi surface shape. Its effects are likely sizable in other correlated multiorbital systems. In addition, we find that the low-energy self-energy matrix-responsible for the reshaping of the Fermi surface-sizably differs from the static Hartree-Fock limit. Finally, we find a strong spin-orbital entanglement; this supports the view that the conventional description of Cooper pairs via factorized spin and orbital part might not apply to Sr_{2}RuO_{4}.

The first γ-ray detection of the narrow-line Seyfert 1 FBQS J1644+2619

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Orienti, M.; Larsson, J.; Giroletti, M.

2015-09-01

We report the discovery of γ-ray emission from the narrow-line Seyfert 1 (NLSy1) galaxy FBQS J1644+2619 by the Large Area Telescope on board the Fermi satellite. The Third Fermi LAT Source catalogue reports an unidentified γ-ray source, detected over the first four years of Fermi operation, 0.23° from the radio position of the NLSy1. Analysing 76 months of γ-ray data (2008 August 4-2014 December 31) we are able to better constrain the localization of the γ-ray source. The new position of the γ-ray source is 0.05° from FBQS J1644+2619, suggesting a spatial association with the NLSy1. This is the sixth NLSy1 detected at high significance by Fermi-LAT so far. Notably, a significant increase of activity was observed in γ-rays from FBQS J1644+2619 during 2012 July-October, and an increase of activity in the V band was detected by the Catalina Real-Time Sky Survey in the same period.

Magnetotransport properties of MoP 2

DOE PAGES

Wang, Aifeng; Graf, D.; Stein, Aaron; ...

2017-11-02

We report magnetotransport and de Haas–van Alphen (dHvA) effect studies on MoP 2 single crystals, predicted to be a type- II Weyl semimetal with four pairs of robust Weyl points located below the Fermi level and long Fermi arcs. The temperature dependence of resistivity shows a peak before saturation, which does not move with magnetic field. Large nonsaturating magnetoresistance (MR) was observed, and the field dependence of MR exhibits a crossover from semiclassical weak-field B 2 dependence to the high-field linear-field dependence, indicating the presence of Dirac linear energy dispersion. In addition, a systematic violation of Kohler's rule was observed,more » consistent with multiband electronic transport. Strong spin-orbit coupling splitting has an effect on dHvA measurements whereas the angular-dependent dHvA orbit frequencies agree well with the calculated Fermi surface. The cyclotron effective mass ~1.6m e indicates the bands might be trivial, possibly since the Weyl points are located below the Fermi level.« less

Composite Fermi surface in the half-filled Landau level with anisotropic electron mass

NASA Astrophysics Data System (ADS)

Ippoliti, Matteo; Geraedts, Scott; Bhatt, Ravindra

We study the problem of interacting electrons in the lowest Landau level at half filling in the quantum Hall regime, when the electron dispersion is given by an anisotropic mass tensor. Based on experimental observations and theoretical arguments, the ground state of the system is expected to consist of composite Fermions filling an elliptical Fermi sea, with the anisotropy of the ellipse determined by the competing effects of the isotropic Coulomb interaction and anisotropic electron mass tensor. We test this idea quantitatively by using a numerical density matrix renormalization group method for quantum Hall systems on an infinitely long cylinder. Singularities in the structure factor allow us to map the Fermi surface of the composite Fermions. We compute the composite Fermi surface anisotropy for several values of the electron mass anisotropy which allow us to deduce the functional dependence of the former on the latter. This research was supported by Department of Energy Office of Basic Energy Sciences through Grant No. DE-SC0002140.

Solid State Research, 1977:2

DTIC Science & Technology

1977-05-15

February through 15 May 1977 PUBLISHED REPORTS Journal Articles JA No. 4621 Minority Carriers in Graphite and the H- Point Magnetoreflec- tion... point , the light at the output face must emerge from the coupled guide. In principle, both switch states can be achieved us- ing the A/3...Fermi level moves downward with increasing proton dose until it becomes pinned at a position designated as the high-dose Fermi level. At this point

Small systems of Duffing oscillators and the Fermi-Pasta-Ulam-Tsingou system An examination of the possible reasons for the unusual stability of localized nonlinear excitations in these systems

NASA Astrophysics Data System (ADS)

Kashyap, Rahul; Westley, Alexandra; Sen, Surajit

The Duffing oscillator, a nonlinear oscillator with a potential energy with both quadratic and cubic terms, is known to show highly chaotic solutions in certain regions of its parameter space. Here, we examine the behaviors of small chains of harmonically and anharmonically coupled Duffing oscillators and show that these chains exhibit localized nonlinear excitations (LNEs) similar to the ones seen in the Fermi-Pasta-Ulam-Tsingou (FPUT) system. These LNEs demonstrate properties such as long-time energy localization, high periodicity, and slow energy leaking which rapidly accelerates upon frequency matching with the adjacent particles all of which have been observed in the FPUT system. Furthermore, by examining bifurcation diagrams, we will show that many qualitative properties of this system during the transition from weakly to strongly nonlinear behavior depend directly upon the frequencies associated with the individual Duffing oscillators.

Electrical properties of metal/Al2O3/In0.53Ga0.47As capacitors grown on InP

NASA Astrophysics Data System (ADS)

Ferrandis, Philippe; Billaud, Mathilde; Duvernay, Julien; Martin, Mickael; Arnoult, Alexandre; Grampeix, Helen; Cassé, Mikael; Boutry, Hervé; Baron, Thierry; Vinet, Maud; Reimbold, Gilles

2018-04-01

To overcome the Fermi-level pinning in III-V metal-oxide-semiconductor capacitors, attention is usually focused on the choice of dielectric and surface chemical treatments prior to oxide deposition. In this work, we examined the influence of the III-V material surface cleaning and the semiconductor growth technique on the electrical properties of metal/Al2O3/In0.53Ga0.47As capacitors grown on InP(100) substrates. By means of the capacitance-voltage measurements, we demonstrated that samples do not have the same total oxide charge density depending on the cleaning solution used [(NH4)2S or NH4OH] prior to oxide deposition. The determination of the interface trap density revealed that a Fermi-level pinning occurs for samples grown by metalorganic chemical vapor deposition but not for similar samples grown by molecular beam epitaxy. Deep level transient spectroscopy analysis explained the Fermi-level pinning by an additional signal for samples grown by metalorganic chemical vapor deposition, attributed to the tunneling effect of carriers trapped in oxide toward interface states. This work emphasizes that the choice of appropriate oxide and cleaning treatment is not enough to prevent a Fermi-level pinning in III-V metal-oxide-semiconductor capacitors. The semiconductor growth technique needs to be taken into account because it impacts the trapping properties of the oxide.

Fermi Blobs and the Symplectic Camel: A Geometric Picture of Quantum States

NASA Astrophysics Data System (ADS)

Gossona, Maurice A. De

We have explained in previous work the correspondence between the standard squeezed coherent states of quantum mechanics, and quantum blobs, which are the smallest phase space units compatible with the uncertainty principle of quantum mechanics and having the symplectic group as a group of symmetries. In this work, we discuss the relation between quantum blobs and a certain level set (which we call "Fermi blob") introduced by Enrico Fermi in 1930. Fermi blobs allows us to extend our previous results not only to the excited states of the generalized harmonic oscillator in n dimensions, but also to arbitrary quadratic Hamiltonians. As is the case for quantum blobs, we can evaluate Fermi blobs using a topological notion, related to the uncertainty principle, the symplectic capacity of a phase space set. The definition of this notion is made possible by Gromov's symplectic non-squeezing theorem, nicknamed the "principle of the symplectic camel".

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

DOE PAGES

Liu, Zhen-Fei; Egger, David A.; Refaely-Abramson, Sivan; ...

2017-02-21

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. Here, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by constructionmore » captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. This approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.« less

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

NASA Astrophysics Data System (ADS)

Liu, Zhen-Fei; Egger, David A.; Refaely-Abramson, Sivan; Kronik, Leeor; Neaton, Jeffrey B.

2017-03-01

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. In this work, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by construction captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. Our approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.

Bell pair creation in current of Kondo-correlated dot

NASA Astrophysics Data System (ADS)

Sakano, Rui; Oguri, Akira; Nishikawa, Yunori; Abe, Eisuke

Recently, local-Fermi-liquid properties in non-linear currents and shot noises through the Kondo dot have been investigated both theoretically and experimentally. We suggest a new entangled-electron-pair generator utilizing mechanism of quasiparticle-pair creation which has been observed as enhancement of shot noise in the quantum dot. Using the renormalized perturbation theory for an orbital-degenerate impurity Anderson model and the full counting statistics, we calculate the Clauser-Horne-Shimony-Holt type Bell's correlator for currents through correlated two different channels of a Kondo correlated dot. It is shown that residual exchange-interactions of the local-Fermi-liquid create spin-entangled quasiparticle-pairs in nonlinear current and this results in violation of the Bell's inequality. This work was partially supported by JSPS KAKENHI Grant Numbers JP26220711, JP26400319, JP15K05181 and JP16K17723.

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.

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides.

PubMed

Charnukha, A; Evtushinsky, D V; Matt, C E; Xu, N; Shi, M; Büchner, B; Zhigadlo, N D; Batlogg, B; Borisenko, S V

2015-12-18

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides

NASA Astrophysics Data System (ADS)

Charnukha, A.; Evtushinsky, D. V.; Matt, C. E.; Xu, N.; Shi, M.; Büchner, B.; Zhigadlo, N. D.; Batlogg, B.; Borisenko, S. V.

2015-12-01

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

Correlation between the Knight shift of chemisorbed CO and the Fermi level local density of states at clean platinum catalyst surfaces

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

Tong, Y.Y.; Rice, C.; Godbout, N.

1999-04-07

Due to its fundamental importance in heterogeneous catalysis, as well as in electrocatalysis, the chemisorption and reaction of CO on transition metal surfaces has been an important focus of modern surface science. Here, the NMR spectroscopy of {sup 13}CO adsorbed onto transition metal surfaces has been shown to be a very powerful probe of molecular structure and dynamics of CO itself, as well as a probe of the electronic properties of the transition metal surfaces onto which it is adsorbed. The authors have investigated the {sup 195}Pt and {sup 13}C nuclear magnetic resonance (NMR) spectroscopy of clean-surface platinum catalysts andmore » of CO chemisorbed onto Pt catalysts surfaces. They use Knight shift, relaxation, and J-coupling data to deduce information about the Fermi level local density of states (E{sub f}-LDOS) at catalyst surfaces. There is a linear correlation between the Knight shifts of chemisorbed CO and the clean surface E{sub f}-LDOS of platinum onto which the CO is bound, as determined by {sup 13}C and {sup 195}Pt NMR. The correlation amounts to {approximately} 12 ppm/Ry{sup {minus}1} {center_dot} atom{sup {minus}1}, the same as that which can be deduced for CO on palladium, as well as from the electrode potential dependence of {sup 13}C Knight shifts and infrared vibrational frequencies, {nu}{sub CO}, and the relationship between {nu}{sub CO} and the E{sub f}-LDOS at clean platinum surfaces. The ability to now directly relate meal and adsorbate electronic properties opens up new avenues for investigating metal-ligand interactions in heterogeneous catalysis and electrocatalysis.« less

Effect of strong disorder on three-dimensional chiral topological insulators: Phase diagrams, maps of the bulk invariant, and existence of topological extended bulk states

NASA Astrophysics Data System (ADS)

Song, Juntao; Fine, Carolyn; Prodan, Emil

2014-11-01

The effect of strong disorder on chiral-symmetric three-dimensional lattice models is investigated via analytical and numerical methods. The phase diagrams of the models are computed using the noncommutative winding number, as functions of disorder strength and model's parameters. The localized/delocalized characteristic of the quantum states is probed with level statistics analysis. Our study reconfirms the accurate quantization of the noncommutative winding number in the presence of strong disorder, and its effectiveness as a numerical tool. Extended bulk states are detected above and below the Fermi level, which are observed to undergo the so-called "levitation and pair annihilation" process when the system is driven through a topological transition. This suggests that the bulk invariant is carried by these extended states, in stark contrast with the one-dimensional case where the extended states are completely absent and the bulk invariant is carried by the localized states.

Graphene patterns supported terahertz tunable plasmon induced transparency.

PubMed

He, Xiaoyong; Liu, Feng; Lin, Fangting; Shi, Wangzhou

2018-04-16

The tunable plasmonic induced transparency has been theoretically investigated based on graphene patterns/SiO 2 /Si/polymer multilayer structure in the terahertz regime, including the effects of graphene Fermi level, structural parameters and operation frequency. The results manifest that obvious Fano peak can be observed and efficiently modulated because of the strong coupling between incident light and graphene pattern structures. As Fermi level increases, the peak amplitude of Fano resonance increases, and the resonant peak position shifts to high frequency. The amplitude modulation depth of Fano curves is about 40% on condition that the Fermi level changes in the scope of 0.2-1.0 eV. With the distance between cut wire and double semi-circular patterns increases, the peak amplitude and figure of merit increases. The results are very helpful to develop novel graphene plasmonic devices (e.g. sensors, modulators, and antenna) and find potential applications in the fields of biomedical sensing and wireless communications.

Investigation of electronic structure and chemical bonding of intermetallic Pd2HfIn: An ab-initio study

NASA Astrophysics Data System (ADS)

Bano, Amreen; Gaur, N. K.

2018-05-01

Ab-initio calculations are carried out to study the electronic and chemical bonding properties of Intermetallic full Heusler compound Pd2HfIn which crystallizes in F-43m structure. All calculations are performed by using density functional theory (DFT) based code Quantum Espresso. Generalized gradient approximations (GGA) of Perdew- Burke- Ernzerhof (PBE) have been adopted for exchange-correlation potential. Calculated electronic band structure reveals the metallic character of the compound. From partial density of states (PDoS), we found the presence of relatively high intensity electronic states of 4d-Pd atom at Fermi level. We have found a pseudo-gap just abouve the Fermi level and N(E) at Fermi level is observed to be 0.8 states/eV, these finding indicates the existence of superconducting character in Pd2HfIn.

Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

PubMed Central

Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

2016-01-01

The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

Width-Dependent Band Gap in Armchair Graphene Nanoribbons Reveals Fermi Level Pinning on Au(111)

PubMed Central

2017-01-01

We report the energy level alignment evolution of valence and conduction bands of armchair-oriented graphene nanoribbons (aGNR) as their band gap shrinks with increasing width. We use 4,4″-dibromo-para-terphenyl as the molecular precursor on Au(111) to form extended poly-para-phenylene nanowires, which can subsequently be fused sideways to form atomically precise aGNRs of varying widths. We measure the frontier bands by means of scanning tunneling spectroscopy, corroborating that the nanoribbon’s band gap is inversely proportional to their width. Interestingly, valence bands are found to show Fermi level pinning as the band gap decreases below a threshold value around 1.7 eV. Such behavior is of critical importance to understand the properties of potential contacts in GNR-based devices. Our measurements further reveal a particularly interesting system for studying Fermi level pinning by modifying an adsorbate’s band gap while maintaining an almost unchanged interface chemistry defined by substrate and adsorbate. PMID:29049879

Fermi Surface Properties, Metamagnetic Transition and Quantum Phase Transition of CeRu2Si2 and Its Alloys Probed by the dHvA Effect

NASA Astrophysics Data System (ADS)

Aoki, Haruyoshi; Kimura, Noriaki; Terashima, Taichi

2014-07-01

This article describes the Fermi surface properties of CeRu2Si2 and its alloy systems CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 studied by the de Haas-van Alphen (dHvA) effect. We pay particular attention to how the Fermi surface properties and the f electron state change with magnetic properties, in particular how they change associated with metamagnetic transition and quantum phase transition. After summarizing the important physical properties of CeRu2Si2, we present the magnetic phase diagrams of CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 as a function of temperature, magnetic field and concentration x. From the characteristic features of the magnetic phase diagram, we argue that the ferromagnetic interaction in addition to the antiferromagnetic interaction and the Kondo effect is responsible for the magnetic properties and that the metamagnetic transitions in these systems are relevant to the ferromagnetic interaction. We summarize the Fermi surface properties of CeRu2Si2 in fields below the metamagnetic transition where the f electron state is now well understood theoretically as well as experimentally. We present experimental results in fields above the metamagnetic transitions in CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 as well as CeRu2Si2 to show that the Fermi surface properties above the metamagnetic transitions are significantly different from those below in many important aspects. We argue that the Fermi surface properties above the metamagnetic transitions are not appropriately described in terms of either itinerant or localized f electron. The experimental results in fields below the metamagnetic transitions in CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 are presented to discuss the f electron state in the ground state. The Fermi surface properties of dilute Kondo alloys of CexLa1-xRu2Si2 have been revealed as a function of Ce concentration and temperature. We show that the f electron state can be regarded as itinerant in the ground state together with the definition of the term "itinerant" in this case. The Fermi surface properties are measured also in high concentration alloys of CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 as a function of x. With the help of the angle resolved photoemission spectroscopy studies, we show that the f electron nature does not change at the quantum phase transition between the paramagnetic and antiferromagnetic phases. However, the picture for the f electron state may be ambiguous and depend on which property one considers in the magnetic states of these systems. The ambiguity and confusion of the f electron state may come from the inherent dual nature of the f electron and we would like to point out that it is sometimes misleading and may not be fruitful to discriminate the f electron state either as itinerant or localized without any clear definition for the terms "itinerant" and "localized".

Non-Fermi-liquid superconductivity: Eliashberg approach versus the renormalization group

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

Wang, Huajia; Raghu, Srinivas; Torroba, Gonzalo

Here, we address the problem of superconductivity for non-Fermi liquids using two commonly adopted, yet apparently distinct, methods: (1) the renormalization group (RG) and (2) Eliashberg theory. The extent to which both methods yield consistent solutions for the low-energy behavior of quantum metals has remained unclear. We show that the perturbative RG beta function for the 4-Fermi coupling can be explicitly derived from the linearized Eliashberg equations, under the assumption that quantum corrections are approximately local across energy scales. We apply our analysis to the test case of phonon-mediated superconductivity and show the consistency of both the Eliashberg and RGmore » treatments. We next study superconductivity near a class of quantum critical points and find a transition between superconductivity and a “naked” metallic quantum critical point with finite, critical BCS couplings. We speculate on the applications of our theory to the phenomenology of unconventional metals.« less

Non-Fermi-liquid superconductivity: Eliashberg approach versus the renormalization group

DOE PAGES

Wang, Huajia; Raghu, Srinivas; Torroba, Gonzalo

2017-04-15

Here, we address the problem of superconductivity for non-Fermi liquids using two commonly adopted, yet apparently distinct, methods: (1) the renormalization group (RG) and (2) Eliashberg theory. The extent to which both methods yield consistent solutions for the low-energy behavior of quantum metals has remained unclear. We show that the perturbative RG beta function for the 4-Fermi coupling can be explicitly derived from the linearized Eliashberg equations, under the assumption that quantum corrections are approximately local across energy scales. We apply our analysis to the test case of phonon-mediated superconductivity and show the consistency of both the Eliashberg and RGmore » treatments. We next study superconductivity near a class of quantum critical points and find a transition between superconductivity and a “naked” metallic quantum critical point with finite, critical BCS couplings. We speculate on the applications of our theory to the phenomenology of unconventional metals.« less

Fermi (Formerly GLAST) at Six Months

NASA Technical Reports Server (NTRS)

Ritz, Steven M.

2009-01-01

The Fermi Gamma-ray Space Telescope, formerly called GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to more than 300 GeV, with supporting measurements for gamma-ray bursts from 8 keV to 30 MeV. In addition to breakthrough capabilities in energy coverage and localization, the very large field of view enables observations of 20% of the sky at any instant, and the entire sky on a timescale of a few hours. With its recent launch on 11 June 2008, Fermi now opens a new and important window on a wide variety of phenomena, including pulsars, black holes and active galactic nuclei, gamma-ray bursts, the origin of cosmic rays and supernova remnants, and searches for hypothetical new phenomena such as supersymmetric dark matter annihilations. In addition to early results and the science opportunities, this talk includes a description of the instruments and the mission status and plans.

Fermi (nee GLAST) at Six Months

NASA Technical Reports Server (NTRS)

Ritz, Steve

2009-01-01

The Fermi Gamma-ray Space Telescope, formerly called GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to >300 GeV, with supporting measurements for gamma-ray bursts from 8 keV to 30 MeV. In addition to breakthrough capabilities in energy coverage and localization, the very large field of view enables observations of 20% of the sky at any instant, and the entire sky on a timescale of a few hours. With its recent launch on 11 June 2008, Fermi now opens a new and important window on a wide variety of phenomena, including pulsars, black holes and active galactic nuclei, gamma-ray bursts, the origin of cosmic rays and supernova remnants, and searches for hypothetical new phenomena such as supersymmetric dark matter annihilations. In addition to early results and the science opportunities, this talk includes a description of the instruments and the mission status and plans.

Superconductivity in YTE2Ge2 compounds (TE = d-electron transition metal)

NASA Astrophysics Data System (ADS)

Chajewski, G.; Samsel-Czekała, M.; Hackemer, A.; Wiśniewski, P.; Pikul, A. P.; Kaczorowski, D.

2018-05-01

Polycrystalline samples of YTE2Ge2 with TE = Co, Ni, Ru, Rh, Pd and Pt were synthesized and characterized by means of X-ray powder diffraction and low-temperature electrical resistivity and specific heat measurements, supplemented by fully relativistic full-potential local-orbital band structure calculations. We confirm that most of the compounds studied crystallize in a body-centered tetragonal ThCr2S2 -type structure (space group I 4 / mmm) and have three-dimensional Fermi surfaces, while only one of them (YPt2Ge2) forms with a primitive tetragonal CaBe2Ge2 -type unit cell (space group P 4 / nmm) and possesses quasi-two-dimensional Fermi surface sheets with some nesting. Physical properties data show conventional superconductivity in the phases with TE = Co, Pd and Pt, i.e. independently of the structure type (and hence the dimensionality of the Fermi surface).

Positron-annihilation study of the electronic structure of URu2Si2

NASA Astrophysics Data System (ADS)

Rozing, G. J.; Mijnarends, P. E.; Menovsky, A. A.; de Chtel, P. F.

1991-04-01

Measurements of the two-dimensional angular correlation of annihilation radiation (2D-ACAR) were performed on oriented single crystals of URu2Si2. The spectra, obtained with integration along four different symmetry directions, display anisotropic structure in fair agreement with a previous calculation of the two-photon momentum distribution. In particular, the contribution of the f-ligand hybridized electron states is clearly observed and reasonably well described by the band calculation. The 2D-ACAR distribution remains unchanged as the temperature is increased from 6 K in the Fermi-liquid state to 72 K, which is just above the coherence temperature. The inhomogeneity of the positron density in the unit cell complicates the Lock-Crisp-West (LCW) analysis of the experiments in terms of Fermi-surface features. Nevertheless, the disagreement between theory and experiment after LCW folding indicates that the Fermi surface as predicted by local-density-approximation band theory does not apply.

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

PubMed

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

2014-07-11

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

The effects of deep-level defects on the electrical properties of Cd0.9Zn0.1Te crystals

NASA Astrophysics Data System (ADS)

Wang, Pengfei; Nan, Ruihua; Jian, Zengyun

2017-06-01

The deep-level defects of CdZnTe (CZT) crystals grown by the modified vertical Bridgman (MVB) method act as trapping centers or recombination centers in the band gap, which have significant effects on its electrical properties. The resistivity and electron mobility-lifetime product of high resistivity Cd0.9Zn0.1Te wafer marked CZT1 and low resistivity Cd0.9Zn0.1Te wafer marked CZT2 were tested respectively. Their deep-level defects were identified by thermally stimulated current (TSC) spectroscopy and thermoelectric effect spectroscopy (TEES) respectively. Then the trap-related parameters were characterized by the simultaneous multiple peak analysis (SIMPA) method. The deep donor level ({E}{{DD}}) dominating dark current was calculated by the relationship between dark current and temperature. The Fermi-level was characterized by current-voltage measurements of temperature dependence. The width of the band gap was characterized by ultraviolet-visible-infrared transmittance spectroscopy. The results show the traps concentration and capture cross section of CZT1 are lower than CZT2, so its electron mobility-lifetime product is greater than CZT2. The Fermi-level of CZT1 is closer to the middle gap than CZT2. The degree of Fermi-level pinned by {E}{{DD}} of CZT1 is larger than CZT2. It can be concluded that the resistivity of CZT crystals increases as the degree of Fermi-level pinned near the middle gap by the deep donor level enlarges. Project supported by the National Natural Science Foundation of China (No. 51502234) and the Scientific Research Plan Projects of Shaanxi Provincial Department of Education of China (No. 15JS040).

How the charge-neutrality level of interface states controls energy level alignment in cathode contacts of organic bulk-heterojunction solar cells.

PubMed

Guerrero, Antonio; Marchesi, Luís F; Boix, Pablo P; Ruiz-Raga, Sonia; Ripolles-Sanchis, Teresa; Garcia-Belmonte, Germà; Bisquert, Juan

2012-04-24

Electronic equilibration at the metal-organic interface, leading to equalization of the Fermi levels, is a key process in organic optoelectronic devices. How the energy levels are set across the interface determines carrier extraction at the contact and also limits the achievable open-circuit voltage under illumination. Here, we report an extensive investigation of the cathode energy equilibration of organic bulk-heterojunction solar cells. We show that the potential to balance the mismatch between the cathode metal and the organic layer Fermi levels is divided into two contributions: spatially extended band bending in the organic bulk and voltage drop at the interface dipole layer caused by a net charge transfer. We scan the operation of the cathode under a varied set of conditions, using metals of different work functions in the range of ∼2 eV, different fullerene acceptors, and several cathode interlayers. The measurements allow us to locate the charge-neutrality level within the interface density of sates and calculate the corresponding dipole layer strength. The dipole layer withstands a large part of the total Fermi level mismatch when the polymer:fullerene blend ratio approaches ∼1:1, producing the practical alignment between the metal Fermi level and the charge-neutrality level. Origin of the interface states is linked with fullerene reduced molecules covering the metal contact. The dipole contribution, and consequently the band bending, is highly sensitive to the nature and amount of fullerene molecules forming the interface density of states. Our analysis provides a detailed picture of the evolution of the potentials in the bulk and the interface of the solar cell when forward voltage is applied or when photogeneration takes place.

Level density inputs in nuclear reaction codes and the role of the spin cutoff parameter

DOE PAGES

Voinov, A. V.; Grimes, S. M.; Brune, C. R.; ...

2014-09-03

Here, the proton spectrum from the 57Fe(α,p) reaction has been measured and analyzed with the Hauser-Feshbach model of nuclear reactions. Different input level density models have been tested. It was found that the best description is achieved with either Fermi-gas or constant temperature model functions obtained by fitting them to neutron resonance spacing and to discrete levels and using the spin cutoff parameter with much weaker excitation energy dependence than it is predicted by the Fermi-gas model.

PbSnTe:In compound: Electron capture levels, galvanomagnetic properties, and THz sensitivity

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

Ishchenko, D. V., E-mail: miracle4348@gmail.com; Klimov, A. E.; Shumsky, V. N.

A model of the Pb{sub 1–x}Sn{sub x}Te:In compound, based on concepts of the theory of disordered systems is considered. The temperature dependences of the Fermi-level position and carrier concentration are calculated depending on the indium doping level and are compared with experimental data. The transient current–voltage characteristics are calculated in the mode of injection from the contact and current limitation by space charge at various voltage-variation rates. The data obtained are compared with the experiments. It is demonstrated that the shape of the characteristics is controlled by the parameters of electron capture at localized states. Photocurrent relaxation in a magneticmore » field is studied, and the mechanism of such relaxation is discussed under the assumption of the magnetic freezing of carriers.« less

Ground-state properties of trapped Bose-Fermi mixtures: Role of exchange correlation

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

Albus, Alexander P.; Wilkens, Martin; Illuminati, Fabrizio

2003-06-01

We introduce density-functional theory for inhomogeneous Bose-Fermi mixtures, derive the associated Kohn-Sham equations, and determine the exchange-correlation energy in local-density approximation. We solve numerically the Kohn-Sham system, and determine the boson and fermion density distributions and the ground-state energy of a trapped, dilute mixture beyond mean-field approximation. The importance of the corrections due to exchange correlation is discussed by a comparison with current experiments; in particular, we investigate the effect of the repulsive potential-energy contribution due to exchange correlation on the stability of the mixture against collapse.

Non-Fermi Liquid Behavior in the Single-Impurity Mixed Valence Problem

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

An effective Hamiltonian of the Anderson single-impurity model with finite-range Coulomb interactions is derived near a particular limit, which is analogous to the Toulouse limit of the ordinary Kondo problem, and the physical properties around the mixed valence quantum critical point are calculated. At this quantum critical point, the local moment is only partially quenched and X-ray edge singularities are exhibited. Around this point, a new type of non-Fermi liquid behavior is predicted with an extra specific heat Cimp ~ T1/4 + AT ln T and spin-susceptibility χimp ~T-3/4 + B ln T.

First and second sound in a strongly interacting Fermi gas

NASA Astrophysics Data System (ADS)

Taylor, E.; Hu, H.; Liu, X.-J.; Pitaevskii, L. P.; Griffin, A.; Stringari, S.

2009-11-01

Using a variational approach, we solve the equations of two-fluid hydrodynamics for a uniform and trapped Fermi gas at unitarity. In the uniform case, we find that the first and second sound modes are remarkably similar to those in superfluid helium, a consequence of strong interactions. In the presence of harmonic trapping, first and second sound become degenerate at certain temperatures. At these points, second sound hybridizes with first sound and is strongly coupled with density fluctuations, giving a promising way of observing second sound. We also discuss the possibility of exciting second sound by generating local heat perturbations.

Reference Frames in Relativistic Space-Time

NASA Astrophysics Data System (ADS)

Soffel, M.; Herold, H.; Ruder, H.; Schneider, M.

Three fundamental concepts of reference frames in relativistic space-time are confronted: 1. the gravitation compass, 2. the stellar compass and 3. the inertial compass. It is argued that under certain conditions asymptotically fixed (stellar) reference frames can be introduced with the same rigour as local Fermi frames, thereby eliminating one possible psychological reason why the importance of Fermi frames frequently has been overestimated in the past. As applications of these three concepts the authors discuss: 1. a relativistic definition of the geoid, 2. a relativistic astrometric problem and 3. the post-Newtonian theory of a laser gyroscope fixed to the Earth's surface.

Low-momentum dynamic structure factor of a strongly interacting Fermi gas at finite temperature: A two-fluid hydrodynamic description

NASA Astrophysics Data System (ADS)

Hu, Hui; Zou, Peng; Liu, Xia-Ji

2018-02-01

We provide a description of the dynamic structure factor of a homogeneous unitary Fermi gas at low momentum and low frequency, based on the dissipative two-fluid hydrodynamic theory. The viscous relaxation time is estimated and is used to determine the regime where the hydrodynamic theory is applicable and to understand the nature of sound waves in the density response near the superfluid phase transition. By collecting the best knowledge on the shear viscosity and thermal conductivity known so far, we calculate the various diffusion coefficients and obtain the damping width of the (first and second) sounds. We find that the damping width of the first sound is greatly enhanced across the superfluid transition and very close to the transition the second sound might be resolved in the density response for the transferred momentum up to half of Fermi momentum. Our work is motivated by the recent measurement of the local dynamic structure factor at low momentum at Swinburne University of Technology and the ongoing experiment on sound attenuation of a homogeneous unitary Fermi gas at Massachusetts Institute of Technology. We discuss how the measurement of the velocity and damping width of the sound modes in low-momentum dynamic structure factor may lead to an improved determination of the universal superfluid density, shear viscosity, and thermal conductivity of a unitary Fermi gas.

Adsorption and Dissociation of Water on the (0001) Surface of DHCP Americium

NASA Astrophysics Data System (ADS)

Dholabhai, Pratik; Ray, Asok

2009-03-01

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal closed packed americium. Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated configuration exhibits the strongest binding with the surface followed by partially dissociated species, with all molecular H2O configurations showing weak physisorption. The change in work functions and net magnetic moments before and after adsorption will be presented for all the cases studied. The adsorbate-substrate interactions will be elaborated using the difference charge density distributions and the local density of states. The effects of adsorption on Am 5f electron localization-delocalization in the vicinity of the Fermi level will be discussed.

High Dielectrics on High Carrier Mobility InGaAs Compound Semiconductors and GaN - Growth, Interfacial Structural Studies, and Surface Fermi Level Unpinning

DTIC Science & Technology

2010-02-19

UHV- deposited Al2O3(3nm)/ Ga2O3 (Gd2O3)(8.5nm) on n- and p-In0.2Ga0.8As/GaAs. The results exhibit very high-quality interface and free-moving Fermi...κ Ga2O3 (Gd2O3) [GGO] and Gd2O3 on InGaAs, without an interfacial layer. InxGa1−xAs MOSFETs have been successfully demonstrated with excellent device... Ga2O3 (Gd2O3)/In0.2Ga0.8As and high temperature (850°C) stability Scaling high κ oxides to nanometer range as well as unpinning surface Fermi level

First Principles Study of Band Structure and Band Gap Engineering in Graphene for Device Applications

DTIC Science & Technology

2015-03-20

In the bandstructure of graphene which is dominated by Dirac description, valence and conduction bands cross the Fermi level at a single point (K...of energy bands and appearance of Dirac cones near the ‘K’ point and Fermi level the electrons behave like massless Dirac fermions. For applications...results. Introduction Graphene, the super carbon , is now accepted as wonder material with new physics and it has caused major

Ab initio study of gold-doped zigzag graphene nanoribbons

NASA Astrophysics Data System (ADS)

Srivastava, Pankaj; Dhar, Subhra; Jaiswal, Neeraj K.

2014-12-01

The electronic transport properties of zigzag graphene nanoribbons (ZGNRs) through covalent functionalization of gold (Au) atoms is investigated by using non-equilibrium Green's function combined with density functional theory. It is revealed that the electronic properties of Au-doped ZGNRs vary significantly due to spin and its non-inclusion. We find that the DOS profiles of Au-adsorbed ZGNR due to spin reveal very less number of states available for conduction, whereas non-inclusion of spin results in higher DOS across the Fermi level. Edge Au-doped ribbons exhibit stable structure and are energetically more favorable than the center Au-doped ZGNRs. Though the chemical interaction at the ZGNR-Au interface modifies the Fermi level, Au-adsorbed ZGNR reveals semimetallic properties. A prominent qualitative change of the I-V curve from linear to nonlinear is observed as the Au atom shifts from center toward the edges of the ribbon. Number of peaks present near the Fermi level ensures conductance channels available for charge transport in case of Au-center-substituted ZGNR. We predict semimetallic nature of the Au-adsorbed ZGNR with a high DOS peak distributed over a narrow energy region at the Fermi level and fewer conductance channels. Our calculations for the magnetic properties predict that Au functionalization leads to semiconducting nature with different band gaps for spin up and spin down. The outcomes are compared with the experimental and theoretical results available for other materials.

Cross-Sectional Transport Imaging in a Multijunction Solar Cell

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

Haegel, Nancy M.; Ke, Chi-Wen; Taha, Hesham

2015-06-14

Combining highly localized electron-beam excitation at a point with the spatial resolution capability of optical near-field imaging, we have imaged carrier transport in a cross-sectioned multijunction (GaInP/GaInAs/Ge) solar cell. We image energy transport associated with carrier diffusion throughout the full width of the middle (GaInAs) cell and luminescent coupling from point excitation in the top cell GaInP to the middle cell. Supporting cathodoluminescence and near-field photoluminescence measurements demonstrate excitation-dependent Fermi level splitting effects that influence cross-sectioned spectroscopy results as well as transport limitations on the spatial resolution of cross-sectional measurements.

Electronic structure of Fe, Co, and Ni impurities in Pd

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

van Acker, J.F.; Weijs, P.W.J.; Fuggle, J.C.

1988-11-15

A photoemission study of the valence bands of the dilute alloys PdFe, PdCo, and PdNi is presented. We use the Cooper minimum effect to estimate the local density of states on the impurity site. The behavior of transition-metal impurities in a transition-metal matrix is shown to be very different from their behavior in s-p metals. Our conclusion is that the Fe and Co 3d states are mixed with states throughout the Pd 4d band, while the Ni contribution to the spectra is dominated by a peak of (minority) 3d states near the Fermi level.

Quantum oscillations in the type-II Dirac semi-metal candidate PtSe2

NASA Astrophysics Data System (ADS)

Yang, Hao; Schmidt, Marcus; Süss, Vicky; Chan, Mun; Balakirev, Fedor F.; McDonald, Ross D.; Parkin, Stuart S. P.; Felser, Claudia; Yan, Binghai; Moll, Philip J. W.

2018-04-01

Three-dimensional topological semi-metals carry quasiparticle states that mimic massless relativistic Dirac fermions, elusive particles that have never been observed in nature. As they appear in the solid body, they are not bound to the usual symmetries of space-time and thus new types of fermionic excitations that explicitly violate Lorentz-invariance have been proposed, the so-called type-II Dirac fermions. We investigate the electronic spectrum of the transition-metal dichalcogenide PtSe2 by means of quantum oscillation measurements in fields up to 65 T. The observed Fermi surfaces agree well with the expectations from band structure calculations, that recently predicted a type-II Dirac node to occur in this material. A hole- and an electron-like Fermi surface dominate the semi-metal at the Fermi level. The quasiparticle mass is significantly enhanced over the bare band mass value, likely by phonon renormalization. Our work is consistent with the existence of type-II Dirac nodes in PtSe2, yet the Dirac node is too far below the Fermi level to support free Dirac–fermion excitations.

Quantum Phase Transitions in the Bose Hubbard Model and in a Bose-Fermi Mixture

NASA Astrophysics Data System (ADS)

Duchon, Eric Nicholas

Ultracold atomic gases may be the ultimate quantum simulator. These isolated systems have the lowest temperatures in the observable universe, and their properties and interactions can be precisely and accurately tuned across a full spectrum of behaviors, from few-body physics to highly-correlated many-body effects. The ability to impose potentials on and tune interactions within ultracold gases to mimic complex systems mean they could become a theorist's playground. One of their great strengths, however, is also one of the largest obstacles to this dream: isolation. This thesis touches on both of these themes. First, methods to characterize phases and quantum critical points, and to construct finite temperature phase diagrams using experimentally accessible observables in the Bose Hubbard model are discussed. Then, the transition from a weakly to a strongly interacting Bose-Fermi mixture in the continuum is analyzed using zero temperature numerical techniques. Real materials can be emulated by ultracold atomic gases loaded into optical lattice potentials. We discuss the characteristics of a single boson species trapped in an optical lattice (described by the Bose Hubbard model) and the hallmarks of the quantum critical region that separates the superfluid and the Mott insulator ground states. We propose a method to map the quantum critical region using the single, experimentally accessible, local quantity R, the ratio of compressibility to local number fluctuations. The procedure to map a phase diagram with R is easily generalized to inhomogeneous systems and generic many-body Hamiltonians. We illustrate it here using quantum Monte Carlo simulations of the 2D Bose Hubbard model. Secondly, we investigate the transition from a degenerate Fermi gas weakly coupled to a Bose Einstein condensate to the strong coupling limit of composite boson-fermion molecules. We propose a variational wave function to investigate the ground state properties of such a Bose-Fermi mixture with equal population, as a function of increasing attraction between bosons and fermions. The variational wave function captures the weak and the strong coupling limits and at intermediate coupling we make two predictions using zero temperature quantum Monte Carlo methods: (I) a complete destruction of the atomic Fermi surface and emergence of a molecular Fermi sea that coexists with a remnant of the Bose-Einstein condensate, and (II) evidence for enhanced short-ranged fermion-fermion correlations mediated by bosons.

Fermi LAT Observation of Diffuse Gamma Rays Produced Through Interactions Between Local Interstellar Matter and High-Energy Cosmic Rays

DOE PAGES

Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

2009-09-08

Observations by the Large Area Telescope (LAT) on the Fermi mission of diffuse γ-rays in a mid-latitude region in the third quadrant (Galactic longitude l from 200° to 260° and latitude |b| from 22° to 60°) are reported in this paper. The region contains no known large molecular cloud and most of the atomic hydrogen is within 1 kpc of the solar system. The contributions of γ-ray point sources and inverse Compton scattering are estimated and subtracted. The residual γ-ray intensity exhibits a linear correlation with the atomic gas column density in energy from 100 MeV to 10 GeV. Themore » measured integrated γ-ray emissivity is (1.63 ± 0.05) × 10 –26 photons s –1sr –1 H-atom –1 and (0.66 ± 0.02) × 10 –26 photons s –1sr –1 H-atom –1 above 100 MeV and above 300 MeV, respectively, with an additional systematic error of ~10%. The differential emissivity from 100 MeV to 10 GeV agrees with calculations based on cosmic ray spectra consistent with those directly measured, at the 10% level. Finally, the results obtained indicate that cosmic ray nuclei spectra within 1 kpc from the solar system in regions studied are close to the local interstellar spectra inferred from direct measurements at the Earth within ~10%.« less

Fermi LAT Observation of Diffuse Gamma-Rays Produced through Interactions Between Local Interstellar Matter and High Energy Cosmic Rays

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

Abdo, A.A.; /Naval Research Lab, Wash., D.C. /Federal City Coll.; Ackermann, M.

Observations by the Large Area Telescope (LAT) on the Fermi mission of diffuse {gamma}-rays in a mid-latitude region in the third quadrant (Galactic longitude l from 200{sup o} to 260{sup o} and latitude |b| from 22{sup o} to 60{sup o}) are reported. The region contains no known large molecular cloud and most of the atomic hydrogen is within 1 kpc of the solar system. The contributions of {gamma}-ray point sources and inverse Compton scattering are estimated and subtracted. The residual {gamma}-ray intensity exhibits a linear correlation with the atomic gas column density in energy from 100 MeV to 10 GeV.more » The measured integrated {gamma}-ray emissivity is (1.63 {+-} 0.05) x 10{sup -26} photons s{sup -1}sr{sup -1} H-atom{sup -1} and (0.66 {+-} 0.02) x 10{sup -26} photons s{sup -1}sr{sup -1} H-atom{sup -1} above 100 MeV and above 300 MeV, respectively, with an additional systematic error of {approx}10%. The differential emissivity from 100 MeV to 10 GeV agrees with calculations based on cosmic ray spectra consistent with those directly measured, at the 10% level. The results obtained indicate that cosmic ray nuclei spectra within 1 kpc from the solar system in regions studied are close to the local interstellar spectra inferred from direct measurements at the Earth within {approx}10%.« less

Subgap time of flight: A spectroscopic study of deep levels in semi-insulating CdTe:Cl

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

Pousset, J.; Farella, I.; Cola, A., E-mail: adriano.cola@le.imm.cnr.it

2016-03-14

We report on a study of deep levels in semi-insulating CdTe:Cl by means of a time-of-flight spectral approach. By varying the wavelength of a pulsed optical source within the CdTe energy gap, transitions to/from localized levels generate free carriers which are analysed through the induced photocurrent transients. Both acceptor-like centers, related to the A-center, and a midgap level, 0.725 eV from the valence band, have been detected. The midgap level is close to the Fermi level and is possibly a recombination center responsible for the compensation mechanism. When the irradiance is varied, either linear or quadratic dependence of the electron andmore » hole collected charge are observed, depending on the dominant optical transitions. The analysis discloses the potentiality of such a novel approach exploitable in the field of photorefractive materials as well as for deep levels spectroscopy.« less

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

Potential Engineering of Fermi-Hubbard Systems using a Quantum Gas Microscope

NASA Astrophysics Data System (ADS)

Ji, Geoffrey; Mazurenko, Anton; Chiu, Christie; Parsons, Maxwell; Kanász-Nagy, Márton; Schmidt, Richard; Grusdt, Fabian; Demler, Eugene; Greif, Daniel; Greiner, Markus

2017-04-01

Arbitrary control of optical potentials has emerged as an important tool in manipulating ultracold atomic systems, especially when combined with the single-site addressing afforded by quantum gas microscopy. Already, experiments have used digital micromirror devices (DMDs) to initialize and control ultracold atomic systems in the context of studying quantum walks, quantum thermalization, and many-body localization. Here, we report on progress in using a DMD located in the image plane of a quantum gas microscope to explore static and dynamic properties of a 2D Fermi-Hubbard system. By projecting a large, ring-shaped anti-confining potential, we demonstrate entropy redistribution and controlled doping of the system. Moreover, we use the DMD to prepare localized holes, which upon release interact with and disrupt the surrounding spin environment. These techniques pave the way for controlled investigations of dynamics in the low-temperature phases of the Hubbard model.

Specific heat and magnetic susceptibility of CeNiSn doped with Rh.

PubMed

Slebarski, A; Maple, M B; Fijałkowski, M; Goraus, J

2010-04-28

CeNiSn is known as a semimetallic system with a small pseudogap at the Fermi energy. We investigate the effect of Rh doping on the Kondo insulator CeNiSn by means of measurements of ac magnetic susceptibility and specific heat. We show that the formation of the Kondo insulator narrow gap in CeNi(1 - x)Rh(x)Sn is associated with disorder-induced f-electron localization. For doped CeNiSn with x ≤ 0.06, the electrical resistivity data follow an activation and variable range hopping behaviour at low T, consistent with weak disorder and localization, while C/T is large, which is not a common feature of Kondo insulators. For x > 0.06, the system is metallic and exhibits non-Fermi liquid behaviour with magnetic susceptibility χ ∼ T( - n) with n ∼ 0.4 and electrical resistivity ρ ∼ T.

Zero-Field Ambient-Pressure Quantum Criticality in the Stoichiometric Non-Fermi Liquid System CeRhBi

NASA Astrophysics Data System (ADS)

Anand, Vivek K.; Adroja, Devashibhai T.; Hillier, Adrian D.; Shigetoh, Keisuke; Takabatake, Toshiro; Park, Je-Geun; McEwen, Keith A.; Pixley, Jedediah H.; Si, Qimiao

2018-06-01

We present the spin dynamics study of a stoichiometric non-Fermi liquid (NFL) system CeRhBi, using low-energy inelastic neutron scattering (INS) and muon spin relaxation (μSR) measurements. It shows evidence for an energy-temperature (E/T) scaling in the INS dynamic response and a time-field (t/Hη) scaling of the μSR asymmetry function indicating a quantum critical behavior in this compound. The E/T scaling reveals a local character of quantum criticality consistent with the power-law divergence of the magnetic susceptibility, logarithmic divergence of the magnetic heat capacity and T-linear resistivity at low temperature. The occurrence of NFL behavior and local criticality over a very wide dynamical range at zero field and ambient pressure without any tuning in this stoichiometric heavy fermion compound is striking, making CeRhBi a model system amenable to in-depth studies for quantum criticality.

Electron Dispersion in Liquid Alkali and Their Alloys

NASA Astrophysics Data System (ADS)

Vora, Aditya M.

2010-07-01

Ashcroft's local empty core (EMC) model pseudopotential in the second-order perturbation theory is used to study the electron dispersion relation, the Fermi energy, and deviation in the Fermi energy from free electron value for the liquid alkali metals and their equiatomic binary alloys for the first time. In the present computation, the use of pseudo-alloy-atom model (PAA) is proposed and found successful. The influence of the six different forms of the local field correction functions proposed by Hartree (H), Vashishta-Singwi (VS), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) on the aforesaid electronic properties is examined explicitly, which reflects the varying effects of screening. The depth of the negative hump in the electron dispersion of liquid alkalis decreases in the order Li → K, except for Rb and Cs, it increases. The results of alloys are in predictive nature.

DOS cones along atomic chains

NASA Astrophysics Data System (ADS)

Kwapiński, Tomasz

2017-03-01

The electron transport properties of a linear atomic chain are studied theoretically within the tight-binding Hamiltonian and the Green’s function method. Variations of the local density of states (DOS) along the chain are investigated. They are crucial in scanning tunnelling experiments and give important insight into the electron transport mechanism and charge distribution inside chains. It is found that depending on the chain parity the local DOS at the Fermi level can form cone-like structures (DOS cones) along the chain. The general condition for the local DOS oscillations is obtained and the linear behaviour of the local density function is confirmed analytically. DOS cones are characterized by a linear decay towards the chain which is in contrast to the propagation properties of charge density waves, end states and Friedel oscillations in one-dimensional systems. We find that DOS cones can appear due to non-resonant electron transport, the spin-orbit scattering or for chains fabricated on a substrate with localized electrons. It is also shown that for imperfect chains (e.g. with a reduced coupling strength between two neighboring sites) a diamond-like structure of the local DOS along the chain appears.

Search for Extended Sources in the Galactic Plane Using Six Years of Fermi-Large Area Telescope Pass 8 Data above 10 GeV

DOE PAGES

Ackermann, M.; Ajello, M.; Baldini, L.; ...

2017-07-10

The spatial extension of a γ-ray source is an essential ingredient to determine its spectral properties, as well as its potential multiwavelength counterpart. The capability to spatially resolve γ-ray sources is greatly improved by the newly delivered Fermi-Large Area Telescope (LAT) Pass 8 event-level analysis, which provides a greater acceptance and an improved point-spread function, two crucial factors for the detection of extended sources. Here, we present a complete search for extended sources located within 7° from the Galactic plane, using 6 yr of Fermi-LAT data above 10 GeV. We find 46 extended sources and provide their morphological and spectralmore » characteristics. As a result, this constitutes the first catalog of hard Fermi-LAT extended sources, named the Fermi Galactic Extended Source Catalog, which allows a thorough study of the properties of the Galactic plane in the sub-TeV domain.« less

Search for Extended Sources in the Galactic Plane Using Six Years of Fermi -Large Area Telescope Pass 8 Data above 10 GeV

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

Ackermann, M.; Buehler, R.; Ajello, M.

The spatial extension of a γ -ray source is an essential ingredient to determine its spectral properties, as well as its potential multiwavelength counterpart. The capability to spatially resolve γ -ray sources is greatly improved by the newly delivered Fermi -Large Area Telescope (LAT) Pass 8 event-level analysis, which provides a greater acceptance and an improved point-spread function, two crucial factors for the detection of extended sources. Here, we present a complete search for extended sources located within 7° from the Galactic plane, using 6 yr of Fermi -LAT data above 10 GeV. We find 46 extended sources and providemore » their morphological and spectral characteristics. This constitutes the first catalog of hard Fermi -LAT extended sources, named the Fermi Galactic Extended Source Catalog, which allows a thorough study of the properties of the Galactic plane in the sub-TeV domain.« less

Search for Extended Sources in the Galactic Plane Using Six Years of Fermi-Large Area Telescope Pass 8 Data above 10 GeV

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

Ackermann, M.; Ajello, M.; Baldini, L.

The spatial extension of a γ-ray source is an essential ingredient to determine its spectral properties, as well as its potential multiwavelength counterpart. The capability to spatially resolve γ-ray sources is greatly improved by the newly delivered Fermi-Large Area Telescope (LAT) Pass 8 event-level analysis, which provides a greater acceptance and an improved point-spread function, two crucial factors for the detection of extended sources. Here, we present a complete search for extended sources located within 7° from the Galactic plane, using 6 yr of Fermi-LAT data above 10 GeV. We find 46 extended sources and provide their morphological and spectralmore » characteristics. As a result, this constitutes the first catalog of hard Fermi-LAT extended sources, named the Fermi Galactic Extended Source Catalog, which allows a thorough study of the properties of the Galactic plane in the sub-TeV domain.« less

Search for Extended Sources in the Galactic Plane Using Six Years of Fermi-Large Area Telescope Pass 8 Data above 10 GeV

NASA Astrophysics Data System (ADS)

Ackermann, M.; Ajello, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bellazzini, R.; Bissaldi, E.; Bloom, E. D.; Bonino, R.; Bottacini, E.; Brandt, T. J.; Bregeon, J.; Bruel, P.; Buehler, R.; Cameron, R. A.; Caragiulo, M.; Caraveo, P. A.; Castro, D.; Cavazzuti, E.; Cecchi, C.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiaro, G.; Ciprini, S.; Cohen, J. M.; Costantin, D.; Costanza, F.; Cutini, S.; D'Ammando, F.; de Palma, F.; Desiante, R.; Digel, S. W.; Di Lalla, N.; Di Mauro, M.; Di Venere, L.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Franckowiak, A.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Giglietto, N.; Giordano, F.; Giroletti, M.; Green, D.; Grenier, I. A.; Grondin, M.-H.; Guillemot, L.; Guiriec, S.; Harding, A. K.; Hays, E.; Hewitt, J. W.; Horan, D.; Hou, X.; Jóhannesson, G.; Kamae, T.; Kuss, M.; La Mura, G.; Larsson, S.; Lemoine-Goumard, M.; Li, J.; Longo, F.; Loparco, F.; Lubrano, P.; Magill, J. D.; Maldera, S.; Malyshev, D.; Manfreda, A.; Mazziotta, M. N.; Michelson, P. F.; Mitthumsiri, W.; Mizuno, T.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Negro, M.; Nuss, E.; Ohsugi, T.; Omodei, N.; Orienti, M.; Orlando, E.; Ormes, J. F.; Paliya, V. S.; Paneque, D.; Perkins, J. S.; Persic, M.; Pesce-Rollins, M.; Petrosian, V.; Piron, F.; Porter, T. A.; Principe, G.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Reimer, O.; Reposeur, T.; Sgrò, C.; Simone, D.; Siskind, E. J.; Spada, F.; Spandre, G.; Spinelli, P.; Suson, D. J.; Tak, D.; Thayer, J. B.; Thompson, D. J.; Torres, D. F.; Tosti, G.; Troja, E.; Vianello, G.; Wood, K. S.; Wood, M.

2017-07-01

The spatial extension of a γ-ray source is an essential ingredient to determine its spectral properties, as well as its potential multiwavelength counterpart. The capability to spatially resolve γ-ray sources is greatly improved by the newly delivered Fermi-Large Area Telescope (LAT) Pass 8 event-level analysis, which provides a greater acceptance and an improved point-spread function, two crucial factors for the detection of extended sources. Here, we present a complete search for extended sources located within 7° from the Galactic plane, using 6 yr of Fermi-LAT data above 10 GeV. We find 46 extended sources and provide their morphological and spectral characteristics. This constitutes the first catalog of hard Fermi-LAT extended sources, named the Fermi Galactic Extended Source Catalog, which allows a thorough study of the properties of the Galactic plane in the sub-TeV domain.

Fermi energy control of vacancy coalescence and dislocation density in melt-grown GaAs

NASA Technical Reports Server (NTRS)

Lagowski, J.; Gatos, H. C.; Lin, D. G.; Aoyama, T.

1984-01-01

A striking effect of the Fermi energy on the dislocation density in melt-grown GaAs has been discovered. Thus, a shift of the Fermi energy from 0.1 eV above to 0.2 eV below its intrinsic value (at high temperature, i.e., near 1100 K) increases the dislocation density by as much as five orders of magnitude. The Fermi energy shift was brought about by n-type and p-type doping at a level of about 10 to the 17th per cu cm (under conditions of optimum partial pressure of As, i.e., under optimum melt stoichiometry). This effect must be associated with the fact that the Fermi energy controls the charge state of vacancies (i.e., the occupancy of the associated electronic states) which in turn must control their tendency to coalesce and thus the dislocation density. It appears most likely that gallium vacancies are the critical species.

Electronic structure Fermi liquid theory of high T(sub c) superconductors: Comparison with experiments

NASA Astrophysics Data System (ADS)

Freeman, A. J.; Yu, Jaejun

1990-04-01

For years, there has been controversy on whether the normal state of the Cu-oxide superconductors is a Fermi liquid or some other exotic ground state. However, some experimentalists are clarifying the nature of the normal state of the high T(sub c) superconductors by surmounting the experimental difficulties in producing clean, well characterized surfaces so as to obtain meaningful high resolved photoemission data, which agrees with earlier positron-annihilation experiments. The experimental work on high resolution angle resolved photoemission by Campuzano et al. and positron-annihilation studies by Smedskjaer et al. has verified the calculated Fermi surfaces in YBa2Cu3O7 superconductors and has provided evidence for the validity of the energy band approach. Similar good agreement was found for Bi2Sr2CaCu2O8 by Olson et al. As a Fermi liquid (metallic) nature of the normal state of the high T(sub c) superconductors becomes evident, these experimental observations have served to confirm the predictions of the local density functional calculations and hence the energy band approach as a valid natural starting point for further studies of their superconductivity.

Electronic structure Fermi liquid theory of high T(sub c) superconductors: Comparison with experiments

NASA Technical Reports Server (NTRS)

Freeman, A. J.; Yu, Jaejun

1990-01-01

For years, there has been controversy on whether the normal state of the Cu-oxide superconductors is a Fermi liquid or some other exotic ground state. However, some experimentalists are clarifying the nature of the normal state of the high T(sub c) superconductors by surmounting the experimental difficulties in producing clean, well characterized surfaces so as to obtain meaningful high resolved photoemission data, which agrees with earlier positron-annihilation experiments. The experimental work on high resolution angle resolved photoemission by Campuzano et al. and positron-annihilation studies by Smedskjaer et al. has verified the calculated Fermi surfaces in YBa2Cu3O7 superconductors and has provided evidence for the validity of the energy band approach. Similar good agreement was found for Bi2Sr2CaCu2O8 by Olson et al. As a Fermi liquid (metallic) nature of the normal state of the high T(sub c) superconductors becomes evident, these experimental observations have served to confirm the predictions of the local density functional calculations and hence the energy band approach as a valid natural starting point for further studies of their superconductivity.

Local H i emissivity measured with FERMI-LAT and implications for Cosmic-ray spectra

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

Casandjian, Jean -Marc

Cosmic-ray (CR) electrons and nuclei interact with the Galactic interstellar gas and produce high-energy γ-rays. The γ-ray emission rate per hydrogen atom, called emissivity, provides a unique indirect probe of the CR flux. We present the measurement and the interpretation of the emissivity in the solar neighborhood for γ-ray energy from 50 MeV to 50 GeV. We analyzed a subset of 4 yr of observations from the Large Area Telescope (LAT) aboard the Fermi Gamma-ray Space Telescope ( Fermi) restricted to absolute latitudesmore » $$10^\\circ \\lt | b| \\lt 70^\\circ $$. From a fit to the LAT data including atomic, molecular, and ionized hydrogen column density templates, as well as a dust optical depth map, we derived the emissivities, the molecular hydrogen–to–CO conversion factor $${X}_{\\mathrm{CO}}=(0.902\\pm 0.007)\\times {10}^{20}$$ cm–2 (K km s–1)–1, and the dust-to-gas ratio $${X}_{\\mathrm{DUST}}=(41.4\\pm 0.3)\\times {10}^{20}$$ cm–2 mag–1. Moreover, we detected for the first time γ-ray emission from ionized hydrogen. We compared the extracted emissivities to those calculated from γ-ray production cross sections and to CR spectra measured in the heliosphere. We observed that the experimental emissivities are reproduced only if the solar modulation is accounted for. This provides a direct detection of solar modulation observed previously through the anticorrelation between CR fluxes and solar activity. Lastly, we fitted a parameterized spectral form to the heliospheric CR observations and to the Fermi-LAT emissivity and obtained compatible local interstellar spectra for proton and helium kinetic energy per nucleon between between 1 and 100 GeV and for electron–positrons between 0.1 and 100 GeV.« less

Local H i emissivity measured with FERMI-LAT and implications for Cosmic-ray spectra

DOE PAGES

Casandjian, Jean -Marc

2015-06-20

Cosmic-ray (CR) electrons and nuclei interact with the Galactic interstellar gas and produce high-energy γ-rays. The γ-ray emission rate per hydrogen atom, called emissivity, provides a unique indirect probe of the CR flux. We present the measurement and the interpretation of the emissivity in the solar neighborhood for γ-ray energy from 50 MeV to 50 GeV. We analyzed a subset of 4 yr of observations from the Large Area Telescope (LAT) aboard the Fermi Gamma-ray Space Telescope ( Fermi) restricted to absolute latitudesmore » $$10^\\circ \\lt | b| \\lt 70^\\circ $$. From a fit to the LAT data including atomic, molecular, and ionized hydrogen column density templates, as well as a dust optical depth map, we derived the emissivities, the molecular hydrogen–to–CO conversion factor $${X}_{\\mathrm{CO}}=(0.902\\pm 0.007)\\times {10}^{20}$$ cm–2 (K km s–1)–1, and the dust-to-gas ratio $${X}_{\\mathrm{DUST}}=(41.4\\pm 0.3)\\times {10}^{20}$$ cm–2 mag–1. Moreover, we detected for the first time γ-ray emission from ionized hydrogen. We compared the extracted emissivities to those calculated from γ-ray production cross sections and to CR spectra measured in the heliosphere. We observed that the experimental emissivities are reproduced only if the solar modulation is accounted for. This provides a direct detection of solar modulation observed previously through the anticorrelation between CR fluxes and solar activity. Lastly, we fitted a parameterized spectral form to the heliospheric CR observations and to the Fermi-LAT emissivity and obtained compatible local interstellar spectra for proton and helium kinetic energy per nucleon between between 1 and 100 GeV and for electron–positrons between 0.1 and 100 GeV.« less

Defects and impurities induced structural and electronic changes in pyrite CoS2: first principles studies.

PubMed

Li, Shengwen; Zhang, Yanning; Niu, Xiaobin

2018-05-03

Cobalt pyrite (CoS2) and related materials are attracting much attention due to their potential use in renewable energy applications. In this work, first-principles studies were performed to investigate the effects of various neutral defects and ion dopants on the structural, energetic, magnetic and electronic properties of the bulk CoS2. Our theoretical results show that the concentrations of single cobalt (VCo) and sulfur (VS) vacancies in CoS2 samples can be high under S-rich and S-poor conditions, respectively. Although the single vacancies induce defect states near the gap edge, they are still half-metallic. We find that the substitution of one S with the O atom does not obviously change the structural, magnetic and electronic features near the Fermi level of the system. Most transition metal impurities (MnCo, FeCo, and MoCo) and Group IV and V anion impurities (CS, SiS, NS, PS, and AsS) create impurity states that are deep and/or near the gap edge. However, NiCo and Group VII elements (FS, ClS, and BrS) cause very localized gap states close to the Fermi level in the minority spin channel, which may modify their electrochemical performances. Our extensive calculations provide instructive information for the design and optimization of CoS2-related energy materials.

Frontiers of controlling energy levels at interfaces

NASA Astrophysics Data System (ADS)

Koch, Norbert

The alignment of electron energy levels at interfaces between semiconductors, dielectrics, and electrodes determines the function and efficiency of all electronic and optoelectronic devices. Reliable guidelines for predicting the level alignment for a given material combination and methods to adjust the intrinsic energy landscape are needed to enable efficient engineering approaches. These are sufficiently understood for established electronic materials, e.g., Si, but for the increasing number of emerging materials, e.g., organic and 2D semiconductors, perovskites, this is work in progress. The intrinsic level alignment and the underlying mechanisms at interfaces between organic and inorganic semiconductors are discussed first. Next, methods to alter the level alignment are introduced, which all base on proper charge density rearrangement at a heterojunction. As interface modification agents we use molecular electron acceptors and donors, as well as molecular photochromic switches that add a dynamic aspect and allow device multifunctionality. For 2D semiconductors surface transfer doping with molecular acceptors/donors transpires as viable method to locally tune the Fermi-level position in the energy gap. The fundamental electronic properties of a prototypical 1D interface between intrinsic and p-doped 2D semiconductor regions are derived from local (scanning probe) and area-averaged (photoemission) spectroscopy experiments. Future research opportunities for attaining unsurpassed interface control through charge density management are discussed.

Electronic structure of dense Pb overlayers on Si(111) investigated using angle-resolved photoemission

NASA Astrophysics Data System (ADS)

Choi, W. H.; Koh, H.; Rotenberg, E.; Yeom, H. W.

2007-02-01

Dense Pb overlayers on Si(111) are important as the wetting layer for anomalous Pb island growth as well as for their own complex “devil’s-staircase” phases. The electronic structures of dense Pb overlayers on Si(111) were investigated in detail by angle-resolved photoemission. Among the series of ordered phases found recently above one monolayer, the low-coverage 7×3 and the high-coverage 14×3 phases are studied; they are well ordered and form reproducibly in large areas. The band dispersions and Fermi surfaces of the two-dimensional (2D) electronic states of these overlayers are mapped out. A number of metallic surface-state bands are identified for both phases with complex Fermi contours. The basic features of the observed Fermi contours can be explained by overlapping 2D free-electron-like Fermi circles. This analysis reveals that the 2D electrons near the Fermi level of the 7×3 and 14×3 phases are mainly governed by strong 1×1 and 3×3 potentials, respectively. The origins of the 2D electronic states and their apparent Fermi surface shapes are discussed based on recent structure models.

Possible origin of photoconductivity in La0.7Ca0.3MnO3

NASA Astrophysics Data System (ADS)

Sagdeo, P. R.; Choudhary, R. J.; Phase, D. M.

2010-01-01

The effect of photon energy on the density of states near Fermi level of pulsed laser deposited La0.7Ca0.3MnO3 thin film has been studied to investigate the possible origin of change in the conductivity of these manganites upon photon exposure. For this purpose the photoelectron spectroscopy measurements were carried out using CSR beamline (BL-2) on Indus-1 synchrotron radiation source. The valance band spectra were measured at room temperature with photon energy ranging from 40 to 60 eV. We could see huge change in the density of states near Fermi level and this change is observed to be highest at 56 eV which is due to the resonance between Mn 3p to Mn 3d level. Our results suggest that the probability of electron transfer from deep Mn 3p level to Mn 3d-eg level is higher than that of Mn 3d-t2g level. It appears that this transfer of electron from deep Mn level to Mn 3d-eg level not only modifies the density of state near Fermi level but also changes the mobility of electrons by modifying the electron lattice coupling due to presence of Mn+3 Jahn-Teller ion.

Element-resolved atomic structure imaging of rocksalt Ge{sub 2}Sb{sub 2}Te{sub 5} phase-change material

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

Zhang, Bin; Chen, Yongjin; Han, Xiaodong, E-mail: wzhang0@mail.xjtu.edu.cn, E-mail: ema@jhu.edu, E-mail: xdhan@bjut.edu.cn

Disorder-induced electron localization and metal-insulator transitions (MITs) have been a very active research field starting from the seminal paper by Anderson half a century ago. However, pure Anderson insulators are very difficult to identify due to ubiquitous electron-correlation effects. Recently, an MIT has been observed in electrical transport measurements on the crystalline state of phase-change GeSbTe compounds, which appears to be exclusively disorder driven. Subsequent density functional theory simulations have identified vacancy disorder to localize electrons at the Fermi level. Here, we report a direct atomic scale chemical identification experiment on the rocksalt structure obtained upon crystallization of amorphous Ge{submore » 2}Sb{sub 2}Te{sub 5}. Our results confirm the two-sublattice structure resolving the distribution of chemical species and demonstrate the existence of atomic disorder on the Ge/Sb/vacancy sublattice. Moreover, we identify a gradual vacancy ordering process upon further annealing. These findings not only provide a structural underpinning of the observed Anderson localization but also have implications for the development of novel multi-level data storage within the crystalline phases.« less

Anomalous Nernst effect in type-II Weyl semimetals

NASA Astrophysics Data System (ADS)

Saha, Subhodip; Tewari, Sumanta

2018-01-01

Topological Weyl semimetals (WSM), a new state of quantum matter with gapless nodal bulk spectrum and open Fermi arc surface states, have recently sparked enormous interest in condensed matter physics. Based on the symmetry and fermiology, it has been proposed that WSMs can be broadly classified into two types, type-I and type-II Weyl semimetals. While the undoped, conventional, type-I WSMs have point like Fermi surface and vanishing density of states (DOS) at the Fermi energy, the type-II Weyl semimetals break Lorentz symmetry explicitly and have tilted conical spectra with electron and hole pockets producing finite DOS at the Fermi level. The tilted conical spectrum and finite DOS at Fermi level in type-II WSMs have recently been shown to produce interesting effects such as a chiral anomaly induced longitudinal magnetoresistance that is strongly anisotropic in direction and a novel anomalous Hall effect. In this work, we consider the anomalous Nernst effect in type-II WSMs in the absence of an external magnetic field using the framework of semi-classical Boltzmann theory. Based on both a linearized model of time-reversal breaking WSM with a higher energy cut-off and a more realistic lattice model, we show that the anomalous Nernst response in these systems is strongly anisotropic in space, and can serve as a reliable signature of type-II Weyl semimetals in a host of magnetic systems with spontaneously broken time reversal symmetry.

Crystal growth of Dirac semimetal ZrSiS with high magnetoresistance and mobility.

PubMed

Sankar, Raman; Peramaiyan, G; Muthuselvam, I Panneer; Butler, Christopher J; Dimitri, Klauss; Neupane, Madhab; Rao, G Narsinga; Lin, M-T; Chou, F C

2017-01-18

High quality single crystal ZrSiS as a theoretically predicted Dirac semimetal has been grown successfully using a vapor phase transport method. The single crystals of tetragonal structure are easy to cleave into perfect square-shaped pieces due to the van der Waals bonding between the sulfur atoms of the quintuple layers. Physical property measurement results including resistivity, Hall coefficient (R H ), and specific heat are reported. The transport and thermodynamic properties suggest a Fermi liquid behavior with two Fermi pockets at low temperatures. At T = 3 K and magnetic field of Hǁc up to 9 Tesla, large magneto-resistance up to 8500% and 7200% for Iǁ (100) and Iǁ (110) were found. Shubnikov de Haas (SdH) oscillations were identified from the resistivity data, revealing the existence of two Fermi pockets at the Fermi level via the fast Fourier transform (FFT) analysis. The Hall coefficient (R H ) showed hole-dominated carriers with a high mobility of 3.05 × 10 4  cm 2 V -1 s -1 at 3 K. ZrSiS has been confirmed to be a Dirac semimetal by the Dirac cone mapping near the X-point via angle resolved photoemission spectroscopy (ARPES) with a Dirac nodal line near the Fermi level identified using scanning tunneling spectroscopy (STS).

Exact solution of equations for proton localization in neutron star matter

NASA Astrophysics Data System (ADS)

Kubis, Sebastian; Wójcik, Włodzimierz

2015-11-01

The rigorous treatment of proton localization phenomenon in asymmetric nuclear matter is presented. The solution of proton wave function and neutron background distribution is found by the use of the extended Thomas-Fermi approach. The minimum of energy is obtained in the Wigner-Seitz approximation of a spherically symmetric cell. The analysis of four different nuclear models suggests that the proton localization is likely to take place in the interior of a neutron star.

Thomas-Fermi approximation for a condensate with higher-order interactions

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

Thoegersen, M.; Jensen, A. S.; Zinner, N. T.

We consider the ground state of a harmonically trapped Bose-Einstein condensate within the Gross-Pitaevskii theory including the effective-range corrections for a two-body zero-range potential. The resulting nonlinear Schroedinger equation is solved analytically in the Thomas-Fermi approximation neglecting the kinetic-energy term. We present results for the chemical potential and the condensate profiles, discuss boundary conditions, and compare to the usual Thomas-Fermi approach. We discuss several ways to increase the influence of effective-range corrections in experiment with magnetically tunable interactions. The level of tuning required could be inside experimental reach in the near future.

Measuring the local mobility of graphene on semiconductors

NASA Astrophysics Data System (ADS)

Zhong, Haijian; Liu, Zhenghui; Wang, Jianfeng; Pan, Anlian; Xu, Gengzhao; Xu, Ke

2018-04-01

Mobility is an important parameter to gauge the performance of graphene devices, which is usually measured by FET or Hall methods relying on the use of insulating substrates. However, these methods are not applicable for the case of graphene on semiconductors, because some current will inevitably cross their junctions and flow through the semiconductors except directly traversing the graphene surface. Here we demonstrate a method for measuring the local mobility of graphene on gallium nitrides combining Kelvin probe force microscopy (KPFM) and conductive atomic force microscopy (C-AFM). The carrier density related to Fermi level shifts in graphene can be acquired from KPFM. The local mobility of graphene is calculated from the carrier mean free path available from the effective contact area, which can be fitted from the local I-V curves in graphene/GaN junctions by C-AFM. Our method can be used to investigate an arbitrary region in graphene and also be applied to other semiconductor substrates and do not introduce damages. These results will benefit recent topical application researches for graphene integration in various semiconductor devices.

Superfluid transition temperature in a trapped gas of Fermi atoms with a Feshbach resonance

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

Ohashi, Y.; Institute of Physics, University of Tsukuba, Ibaraki 305; Griffin, A.

2003-03-01

We investigate strong-coupling effects on the superfluid phase transition in a gas of Fermi atoms with a Feshbach resonance. The Feshbach resonance describes a composite quasiboson that can give rise to an additional pairing interaction between the Fermi atoms. This attractive interaction becomes stronger as the threshold energy 2{nu} of the Feshbach resonance two-particle bound state is lowered. In a recent paper, we showed that in the uniform Fermi gas, this tunable pairing interaction naturally leads to a crossover from a BCS state to a Bose-Einstein condensate (BEC) of the Nozieres and Schmitt-Rink kind, in which the BCS-type superfluid phasemore » transition continuously changes into the BEC type as the threshold energy is decreased. In this paper, we extend our previous work by including the effect of a harmonic trap potential, treated within the local-density approximation. We also give results for both weak and strong coupling to the Feshbach resonance. We show that the BCS-BEC crossover phenomenon strongly modifies the shape of the atomic density profile at the superfluid phase-transition temperature T{sub c}, reflecting the change of the dominant particles going from Fermi atoms to composite bosons. In the BEC regime, these composite bosons are shown to first appear well above T{sub c}. We also discuss the 'phase diagram' above T{sub c} as a function of the tunable threshold energy 2{nu}. We introduce a characteristic temperature T*(2{nu}) describing the effective crossover in the normal phase from a Fermi gas of atoms to a gas of stable molecules.« less

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

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

Debehets, J.; Homm, P.; Menghini, M.

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate detector and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-level. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs. This work has been funded by J.D.'s PhD fellowship of the Fund of Scientific Research-Flanders (FWO-V) (Dossier No. 11U4516N). P.H. acknowledges support from Becas Chile-CONICYT. This research was also supported by the FWO Odysseus Program, the Belgian Hercules Stichting with the Project No. Her/08/25 and AKUL/13/19 and the KU Leuven project GOA "Fundamental challenges in Semiconductor Research". The authors would also like to thank Bastiaan Opperdoes and Ludwig Henderix for technical support. The work was supported by the U.S. Department of Energy (USDOE), Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, and performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). Battelle operates PNNL for the USDOE under contract DE-AC05-76RL01830.« less

Study of sulfur bonding on gallium arsenide (100) surfaces using supercritical fluid extraction

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

Cabauy, P.; Darici, Y.; Furton, K.G.

1995-12-01

In the last decades Gallium Arsenide (GaAs) has been considered the semiconductor that will replace silicon because of its direct band gap and high electron mobility. Problems with GaAs Fermi level pinning has halted its widespread use in the electronics industry. The formation of oxides on GaAs results in a high density of surface states that effectively pin the surface Fermi level at the midgap. Studies on sulfur passivation have eliminated oxidation and virtually unpinned the Fermi level on the GaAs surface. This has given rise to interest in sulfur-GaAs bonds. In this presentation, we will discuss the types ofmore » sulfur bonds extracted from a sulfur passivated GaAs (100) using Supercritical Fluid (CO2) Extraction (SFE). SFE can be a valuable tool in the study of chemical speciations on semiconductor surfaces. The variables evaluated to effectively study the sulfur species from the GaAs surface include passivation techniques, supercritical fluid temperatures, densities, and extraction times.« less

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

Jin, Xinfang; White, Ralph E.; Huang, Kevin

With the assumption that the Fermi level (electrochemical potential of electrons) is uniform across the thickness of a mixed ionic and electronic conducting (MIEC) electrode, the charge-transport model in the electrode domain can be reduced to the modified Fick’s first law, which includes a thermodynamic factor A. A transient numerical solution of the Nernst-Planck theory was obtained for a symmetric cell with MIEC electrodes to illustrate the validity of the assumption of a uniform Fermi level. Subsequently, an impedance numerical solution based on the modified Fick’s first law is compared with that from the Nernst-Planck theory. The results show thatmore » Nernst-Planck charge-transport model is essentially the same as the modified Fick’s first law model as long as the MIEC electrodes have a predominant electronic conductivity. However, because of the invalidity of the uniform Fermi level assumption for aMIEC electrolyte with a predominant ionic conductivity, Nernst-Planck theory is needed to describe the charge transport behaviors.« less

Fermi Level shifting, Charge Transfer and Induced Magnetic Coupling at La0.7Ca0.3MnO3/LaNiO3 Interface

PubMed Central

Ning, Xingkun; Wang, Zhanjie; Zhang, Zhidong

2015-01-01

A large magnetic coupling has been observed at the La0.7Ca0.3MnO3/LaNiO3 (LCMO/LNO) interface. The x-ray photoelectron spectroscopy (XPS) study results show that Fermi level continuously shifted across the LCMO/LNO interface in the interface region. In addition, the charge transfer between Mn and Ni ions of the type Mn3+ − Ni3+ → Mn4+ − Ni2+ with the oxygen vacancies are observed in the interface region. The intrinsic interfacial charge transfer can give rise to itinerant electrons, which results in a “shoulder feature” observed at the low binding energy in the Mn 2p core level spectra. Meanwhile, the orbital reconstruction can be mapped according to the Fermi level position and the charge transfer mode. It can be considered that the ferromagnetic interaction between Ni2+ and Mn4+ gives rise to magnetic regions that pin the ferromagnetic LCMO and cause magnetic coupling at the LCMO/LNO interface. PMID:25676088

The LLRF System for the S-Band RF Plants of the FERMI Linac

NASA Astrophysics Data System (ADS)

Fabris, A.; Byrd, J.; D'Auria, G.; Doolittle, L.; Gelmetti, F.; Huang, G.; Jones, J.; Milloch, M.; Predonzani, M.; Ratti, A.; Rohlev, T.; Salom, A.; Serrano, C.; Stettler, M.

2016-04-01

Specifications on electron beam quality for the operation of a linac-based free-electron laser (FEL), as FERMI in Trieste (Italy), impose stringent requirements on the stability of the electromagnetic fields of the accelerating sections. These specifications can be met only with state-of-the-art low-level RF (LLRF) systems based on advanced digital technologies. Design considerations, construction, and performance results of the FERMI digital LLRF are presented in this paper. The stability requirements derived by simulations are better than 0.1% in amplitude and 0.1° S-band in phase. The system installed in the FERMI Linac S-band RF plants has met these specifications and is in operation on a 24-h basis as a user facility. Capabilities of the system allow planning for new developments that are also described here.

Hydrodynamic flows of non-Fermi liquids: Magnetotransport and bilayer drag

NASA Astrophysics Data System (ADS)

Patel, Aavishkar A.; Davison, Richard A.; Levchenko, Alex

2017-11-01

We consider a hydrodynamic description of transport for generic two-dimensional electron systems that lack Galilean invariance and do not fall into the category of Fermi liquids. We study magnetoresistance and show that it is governed only by the electronic viscosity provided that the wavelength of the underlying disorder potential is large compared to the microscopic equilibration length. We also derive the Coulomb drag transresistance for double-layer non-Fermi-liquid systems in the hydrodynamic regime. As an example, we consider frictional drag between two quantum Hall states with half-filled lowest Landau levels, each described by a Fermi surface of composite fermions coupled to a U (1 ) gauge field. We contrast our results to prior calculations of drag of Chern-Simons composite particles and place our findings in the context of available experimental data.

Fermi LAT detection of a gamma-ray flare from FSRQ S5 1044+71

NASA Astrophysics Data System (ADS)

Ojha, Roopesh; Carpenter, Bryce; Dutka, Michael

2013-04-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed increasing gamma-ray flux from a source positionally consistent with the flat spectrum radio quasar S5 1044+71 (also known as 2FGL J1048.3+7144, Nolan et al. 2012, ApJS, 199, 31). Localization analysis has ruled out the nearby source 2FGL J1049.7+7240 as a possible counterpart. S5 1044+71 has coordinates RA=10h48m27.6199s DEC=+71d43m35.938s, J2000, (Johnston et al.

Exploring the Extreme Universe with the Fermi Gamma-Ray Space Telescope

NASA Technical Reports Server (NTRS)

Thompson, D. J.

2010-01-01

Because high-energy gamma rays are produced by powerful sources, the Fermi Gamma-ray Space Telescope provides a window on extreme conditions in the Universe. Some key observations of the constantly changing gamma-ray sky include: (1) Gamma-rays from pulsars appear to come from a region well above the surface of the neutron star; (2) Multiwavelength studies of blazars show that simple models of jet emission are not always adequate to explain what is seen; (3) Gamma-ray bursts can constrain models of quantum gravity; (4) Cosmic-ray electrons at energies approaching 1 TeV suggest a local source for some of these particles.

Mahan excitons in degenerate wurtzite InN: Photoluminescence spectroscopy and reflectivity measurements

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Däubler, Jürgen; Thonke, Klaus; Sauer, Rolf; Schley, Pascal; Goldhahn, Rüdiger

2008-06-01

Unintentionally degenerately doped n -type hexagonal wurtzite InN samples were studied by using Fourier-transform photoluminescence spectroscopy and reflectivity measurements. We found in luminescence overlapping band acceptor (e,A0) transitions related to two different acceptors with a strong enhancement of their intensities close to the Fermi energy of the electrons recombining with the localized holes. Our explanation is in terms of a Fermi-edge singularity of the electrons due to strongly increased electron-hole scattering. Electron-hole pairs with such resonantly enhanced oscillator strengths have been referred to as Mahan excitons. Temperature-dependent reflectivity measurements confirm this interpretation.

Bragg spectroscopy of strongly interacting Fermi gases

NASA Astrophysics Data System (ADS)

Lingham, M. G.; Fenech, K.; Peppler, T.; Hoinka, S.; Dyke, P.; Hannaford, P.; Vale, C. J.

2016-10-01

This article provides an overview of recent developments and emerging topics in the study of two-component Fermi gases using Bragg spectroscopy. Bragg scattering is achieved by exposing a gas to two intersecting laser beams with a slight frequency difference and measuring the momentum transferred to the atoms. By varying the Bragg laser detuning, it is possible to measure either the density or spin response functions which characterize the basic excitations present in the gas. Specifically, one can measure properties such as the dynamic and static structure factors, Tan's universal contact parameter and observe signatures for the onset of pair condensation locally within a gas.

Critical behavior in trapped strongly interacting Fermi gases

NASA Astrophysics Data System (ADS)

Taylor, E.

2009-08-01

We investigate the width of the Ginzburg critical region and experimental signatures of critical behavior in strongly interacting trapped Fermi gases close to unitarity, where the s -wave scattering length diverges. Despite the fact that the width of the critical region is of the order unity, evidence of critical behavior in the bulk thermodynamics of trapped gases is strongly suppressed by their inhomogeneity. The specific heat of a harmonically confined gas, for instance, is linear in the reduced temperature t=(T-Tc)/Tc above Tc . We also discuss the prospects of observing critical behavior in the local compressibility from measurements of the density profile.

The Needle in the 100 deg2 Haystack: Uncovering Afterglows of Fermi GRBs with the Palomar Transient Factory

NASA Astrophysics Data System (ADS)

Singer, Leo P.; Kasliwal, Mansi M.; Cenko, S. Bradley; Perley, Daniel A.; Anderson, Gemma E.; Anupama, G. C.; Arcavi, Iair; Bhalerao, Varun; Bue, Brian D.; Cao, Yi; Connaughton, Valerie; Corsi, Alessandra; Cucchiara, Antonino; Fender, Rob P.; Fox, Derek B.; Gehrels, Neil; Goldstein, Adam; Gorosabel, J.; Horesh, Assaf; Hurley, Kevin; Johansson, Joel; Kann, D. A.; Kouveliotou, Chryssa; Huang, Kuiyun; Kulkarni, S. R.; Masci, Frank; Nugent, Peter; Rau, Arne; Rebbapragada, Umaa D.; Staley, Tim D.; Svinkin, Dmitry; Thöne, C. C.; de Ugarte Postigo, A.; Urata, Yuji; Weinstein, Alan

2015-06-01

The Fermi Gamma-ray Space Telescope has greatly expanded the number and energy window of observations of gamma-ray bursts (GRBs). However, the coarse localizations of tens to a hundred square degrees provided by the Fermi GRB Monitor instrument have posed a formidable obstacle to locating the bursts’ host galaxies, measuring their redshifts, and tracking their panchromatic afterglows. We have built a target-of-opportunity mode for the intermediate Palomar Transient Factory in order to perform targeted searches for Fermi afterglows. Here, we present the results of one year of this program: 8 afterglow discoveries out of 35 searches. Two of the bursts with detected afterglows (GRBs 130702A and 140606B) were at low redshift (z = 0.145 and 0.384, respectively) and had spectroscopically confirmed broad-line Type Ic supernovae. We present our broadband follow-up including spectroscopy as well as X-ray, UV, optical, millimeter, and radio observations. We study possible selection effects in the context of the total Fermi and Swift GRB samples. We identify one new outlier on the Amati relation. We find that two bursts are consistent with a mildly relativistic shock breaking out from the progenitor star rather than the ultra-relativistic internal shock mechanism that powers standard cosmological bursts. Finally, in the context of the Zwicky Transient Facility, we discuss how we will continue to expand this effort to find optical counterparts of binary neutron star mergers that may soon be detected by Advanced LIGO and Virgo.

Transport and NMR characteristics of the skutterudite-related compound Ca3Rh4Sn13

NASA Astrophysics Data System (ADS)

Tseng, C. W.; Kuo, C. N.; Li, B. S.; Wang, L. M.; Gippius, A. A.; Kuo, Y. K.; Lue, C. S.

2018-02-01

We report the electronic properties of the Yb3Rh4Sn13-type single crystalline Ca3Rh4Sn13 by means of the electrical resistivity, Hall coefficient, Seebeck coefficient, thermal conductivity, as well as 119Sn nuclear magnetic resonance (NMR) measurements. The negative sign of the Hall coefficient and Seebeck coefficient at low temperatures suggests that the n-type carriers dominate the electrical transport in Ca3Rh4Sn13, in contrast to the observations in Sr3Rh4Sn13 which has a p-type conduction. Such a finding indicates a significant difference in the electronic features between these two stannides. Furthermore, we analyzed the temperature-dependent 119Sn NMR spin-lattice relaxation rate for Ca3Rh4Sn13, (Sr0.7Ca0.3)3Rh4Sn13, and Sr3Rh4Sn13 to examine the change of the electronic Fermi-level density of states (DOS) in (Sr1-xCax)3Rh4Sn13. It indicates that the Sn 5s partial Fermi-level DOS enhances with increasing the Ca content, being consistent with the trend of the superconducting temperature. Since the total Fermi-level DOS usually obeys the same trend of the partial Fermi-level DOS, the NMR analysis provides microscopic evidence for the correlation between the electronic DOS and superconductivity of the (Sr1-xCax)3Rh4Sn13 system.

Uncovering the Key Role of the Fermi Level of the Electron Mediator in a Z-Scheme Photocatalyst by Detecting the Charge Transfer Process of WO3-metal-gC3N4 (Metal = Cu, Ag, Au).

PubMed

Li, Houfen; Yu, Hongtao; Quan, Xie; Chen, Shuo; Zhang, Yaobin

2016-01-27

Z-scheme photocatalytic system shows superiority in degradation of refractory pollutants and water splitting due to the high redox capacities caused by its unique charge transfer behaviors. As a key component of Z-scheme system, the electron mediator plays an important role in charge carrier migration. According to the energy band theory, we believe the interfacial energy band bendings facilitate the electron transfer via Z-scheme mechanism when the Fermi level of electron mediator is between the Fermi levels of Photosystem II (PS II) and Photosystem I (PS I), whereas charge transfer is inhibited in other cases as energy band barriers would form at the semiconductor-metal interfaces. Here, this inference was verified by the increased hydroxyl radical generation and improved photocurrent on WO3-Cu-gC3N4 (with the desired Fermi level structure), which were not observed on either WO3-Ag-gC3N4 or WO3-Au-gC3N4. Finally, photocatalytic degradation rate of 4-nonylphenol on WO3-Cu-gC3N4 was proved to be as high as 11.6 times than that of WO3-gC3N4, further demonstrating the necessity of a suitable electron mediator in Z-scheme system. This study provides scientific basis for rational construction of Z-scheme photocatalytic system.

Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium

NASA Astrophysics Data System (ADS)

Dholabhai, Pratik; Atta-Fynn, Raymond; Ray, Asok

2008-03-01

Oxygen molecule adsorption on (0001) surface of double hexagonal packed americium has been studied in detail within the framework of density functional theory using a full-potential all-electron linearized augmented plane wave plus local orbitals method. The most stable configuration corresponded to molecular dissociation with the oxygen atoms occupying neighboring three-fold hollow h3 sites. Chemisorption energies and adsorption geometries for the adsorbed species, and change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the oxygen molecule will be discussed. The effects of chemisorption on Am 5f electron localization-delocalization in the vicinity of the Fermi level and the reaction barrier calculation for the dissociation of oxygen molecule to the most stable h3 sites will be discussed.

Electronic and structural ground state of heavy alkali metals at high pressure

DOE PAGES

Fabbris, G.; Lim, J.; Veiga, L. S. I.; ...

2015-02-17

Here, alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We investigate the high pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with ab initio theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the oC84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of themore » valence electrons characterized by pseudo-gap formation near the Fermi level and strong spd hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.« less

Trends in magnetism of free Rh clusters via relativistic ab-initio calculations.

PubMed

Šipr, O; Ebert, H; Minár, J

2015-02-11

A fully relativistic ab-initio study on free Rh clusters of 13-135 atoms is performed to identify general trends concerning their magnetism and to check whether concepts which proved to be useful in interpreting magnetism of 3d metals are applicable to magnetism of 4d systems. We found that there is no systematic relation between local magnetic moments and coordination numbers. On the other hand, the Stoner model appears well-suited both as a criterion for the onset of magnetism and as a guide for the dependence of local magnetic moments on the site-resolved density of states at the Fermi level. Large orbital magnetic moments antiparallel to spin magnetic moments were found for some sites. The intra-atomic magnetic dipole Tz term can be quite large at certain sites but as a whole it is unlikely to affect the interpretation of x-ray magnetic circular dichroism experiments based on the sum rules.

High-energy anomalies in covalent high-Tc cuprates with large Hubbard Ud on copper

NASA Astrophysics Data System (ADS)

Barišić, O. S.; Barišić, S.

2015-03-01

A large Ud theory is constructed for the metallic state of high-Tc cuprates. The Emery three-band model, extended with Ox-Oy hopping tpp, and with Ud → ∞, is mapped on slave fermions. The Dyson time-dependent diagrammatic theory in terms of the Cu-O hopping tpd, starting from the nondegenerate unperturbed ground state, is translationally and asymptotically locally gauge invariant. The small parameter of the theory is the average hole occupation of Cu sites nd. The lowest order of the theory generates the single particle propagators of the hybridized pdp- and dpd-fermions with the exact covalent three band structure. The leading many-body effect is band narrowing, accompanied by Landau-like damping of the single particle propagation, due to incoherent local charge Cu-O fluctuations. The corresponding continuum is found below and above the Fermi level.

On the validity of the amphoteric-defect model in gallium arsenide and a criterion for Fermi-level pinning by defects

NASA Astrophysics Data System (ADS)

Chen, C.-H.; Tan, T. Y.

1995-10-01

Using the theoretically calculated point-defect total-energy values of Baraff and Schlüter in GaAs, an amphoteric-defect model has been proposed by Walukiewicz to explain a large number of experimental results. The suggested amphoteric-defect system consists of two point-defect species capable of transforming into each other: the doubly negatively charged Ga vacancy V {Ga/2-} and the triply positively charged defect complex (ASGa+ V As)3+, with AsGa being the antisite defect of an As atom occupying a Ga site and V As being an As vacancy. When present in sufficiently high concentrations, the amphoteric defect system V {Ga/2-}/(AsGa+ V As)3+ is supposed to be able to pin the GaAs Fermi level at approximately the E v +0.6 eV level position, which requires that the net free energy of the V Ga/(AsGa+ V As) defect system to be minimum at the same Fermi-level position. We have carried out a quantitative study of the net energy of this defect system in accordance with the individual point-defect total-energy results of Baraff and Schlüter, and found that the minimum net defect-system-energy position is located at about the E v +1.2 eV level position instead of the needed E v +0.6 eV position. Therefore, the validity of the amphoteric-defect model is in doubt. We have proposed a simple criterion for determining the Fermi-level pinning position in the deeper part of the GaAs band gap due to two oppositely charged point-defect species, which should be useful in the future.

The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

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

Jiang, Jun; Park, G. Barratt; Field, Robert W.

A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

DOE PAGES

Jiang, Jun; Park, G. Barratt; Field, Robert W.

2016-04-14

A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

Berry phase and anomalous transport of the composite fermions at the half-filled Landau level

NASA Astrophysics Data System (ADS)

Pan, W.; Kang, W.; Baldwin, K. W.; West, K. W.; Pfeiffer, L. N.; Tsui, D. C.

2017-12-01

The fractional quantum Hall effect (FQHE) in two-dimensional electron systems is an exotic, superfluid-like matter with an emergent topological order. From the consideration of the Aharonov-Bohm interaction between electrons and magnetic field, the ground state of a half-filled lowest Landau level is mathematically transformed to a Fermi sea of composite objects of electrons bound to two flux quanta, termed composite fermions (CFs). A strong support for the CF theories comes from experimental confirmation of the predicted Fermi surface at ν = 1/2 (where ν is the Landau level filling factor) from the detection of the Fermi wavevector in semi-classical geometrical resonance experiments. Recent developments in the theory of CFs have led to the prediction of a π Berry phase for the CF circling around the Fermi surface at half-filling. In this paper we provide experimental evidence for the detection of the Berry phase of CFs in the fractional quantum Hall effect. Our measurements of the Shubnikov-de Haas oscillations of CFs as a function carrier density at a fixed magnetic field provide strong support for the existence of a π Berry phase at ν = 1/2. We also discover that the conductivity of composite fermions at ν = 1/2 displays an anomalous linear density dependence, whose origin remains mysterious yet tantalizing.

Interpretation of diffusion coefficients in nanostructured materials from random walk numerical simulation.

PubMed

Anta, Juan A; Mora-Seró, Iván; Dittrich, Thomas; Bisquert, Juan

2008-08-14

We make use of the numerical simulation random walk (RWNS) method to compute the "jump" diffusion coefficient of electrons in nanostructured materials via mean-square displacement. First, a summary of analytical results is given that relates the diffusion coefficient obtained from RWNS to those in the multiple-trapping (MT) and hopping models. Simulations are performed in a three-dimensional lattice of trap sites with energies distributed according to an exponential distribution and with a step-function distribution centered at the Fermi level. It is observed that once the stationary state is reached, the ensemble of particles follow Fermi-Dirac statistics with a well-defined Fermi level. In this stationary situation the diffusion coefficient obeys the theoretical predictions so that RWNS effectively reproduces the MT model. Mobilities can be also computed when an electrical bias is applied and they are observed to comply with the Einstein relation when compared with steady-state diffusion coefficients. The evolution of the system towards the stationary situation is also studied. When the diffusion coefficients are monitored along simulation time a transition from anomalous to trap-limited transport is observed. The nature of this transition is discussed in terms of the evolution of electron distribution and the Fermi level. All these results will facilitate the use of RW simulation and related methods to interpret steady-state as well as transient experimental techniques.

Observation of non-Fermi liquid behavior in hole-doped Eu2Ir2O7

NASA Astrophysics Data System (ADS)

Banerjee, A.; Sannigrahi, J.; Giri, S.; Majumdar, S.

2017-12-01

The Weyl semimetallic compound Eu2Ir2O7 and its hole-doped derivatives (which are achieved by substituting trivalent Eu by divalent Sr) are investigated through transport, magnetic, and calorimetric studies. The metal-insulator transition (MIT) temperature is found to get substantially reduced with hole doping, and for 10% Sr doping the composition is metallic down to temperature as low as 5 K. These doped compositions are found to violate the Mott-Ioffe-Regel condition for minimum electrical conductivity and show a distinct signature of non-Fermi liquid behavior at low temperature. The MIT in the doped compounds does not correlate with the magnetic transition point, and Anderson-Mott-type disorder-induced localization may be attributed to the ground-state insulating phase. The observed non-Fermi liquid behavior can be understood on the basis of disorder-induced distribution of the spin-orbit-coupling parameter, which is markedly different in the case of Ir4 + and Ir5 + ions.

SENSITIVITY OF BLIND PULSAR SEARCHES WITH THE FERMI LARGE AREA TELESCOPE

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

Dormody, M.; Johnson, R. P.; Atwood, W. B.

2011-12-01

We quantitatively establish the sensitivity to the detection of young to middle-aged, isolated, gamma-ray pulsars through blind searches of Fermi Large Area Telescope (LAT) data using a Monte Carlo simulation. We detail a sensitivity study of the time-differencing blind search code used to discover gamma-ray pulsars in the first year of observations. We simulate 10,000 pulsars across a broad parameter space and distribute them across the sky. We replicate the analysis in the Fermi LAT First Source Catalog to localize the sources, and the blind search analysis to find the pulsars. We analyze the results and discuss the effect ofmore » positional error and spin frequency on gamma-ray pulsar detections. Finally, we construct a formula to determine the sensitivity of the blind search and present a sensitivity map assuming a standard set of pulsar parameters. The results of this study can be applied to population studies and are useful in characterizing unidentified LAT sources.« less

Constructing the AdS dual of a Fermi liquid: AdS black holes with Dirac hair

NASA Astrophysics Data System (ADS)

Čubrović, Mihailo; Zaanen, Jan; Schalm, Koenraad

2011-10-01

We provide evidence that the holographic dual to a strongly coupled charged Fermi liquid has a non-zero fermion density in the bulk. We show that the pole-strength of the stable quasiparticle characterizing the Fermi surface is encoded in the AdS probability density of a single normalizable fermion wavefunction in AdS. Recalling Migdal's theorem which relates the pole strength to the Fermi-Dirac characteristic discontinuity in the number density at ω F , we conclude that the AdS dual of a Fermi liquid is described by occupied on-shell fermionic modes in AdS. Encoding the occupied levels in the total spatially averaged probability density of the fermion field directly, we show that an AdS Reissner-Nordström black holein a theory with charged fermions has a critical temperature, at which the system undergoes a first-order transition to a black hole with a non-vanishing profile for the bulk fermion field. Thermodynamics and spectral analysis support that the solution with non-zero AdS fermion-profile is the preferred ground state at low temperatures.

First-principles study of electronic structure and Fermi surface in semimetallic YAs

DOE PAGES

Swatek, Przemys?aw Wojciech

2018-03-23

In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band ordermore » and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.« less

First-principles study of electronic structure and Fermi surface in semimetallic YAs

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

Swatek, Przemys?aw Wojciech

In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band ordermore » and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.« less

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

Koryazhkina, M. N., E-mail: mahavenok@mail.ru; Tikhov, S. V.; Gorshkov, O. N.

It is shown that the formation of Au nanoparticles at the insulator–silicon interface in structures with a high density of surface states results in a shift of the Fermi-level pinning energy at this interface towards the valence-band ceiling in silicon and in increasing the surface-state density at energies close to the Fermi level. In this case, a band with a peak at 0.85 eV arises on the photosensivity curves of the capacitor photovoltage, which is explained by the photoemission of electrons from the formed Au-nanoparticle electron states near the valence-band ceiling in silicon.

Scanning capacitance microscopy of ErAs nanoparticles embedded in GaAs pn junctions

NASA Astrophysics Data System (ADS)

Park, K. W.; Nair, H. P.; Crook, A. M.; Bank, S. R.; Yu, E. T.

2011-09-01

Scanning capacitance microscopy is used to characterize the electronic properties of ErAs nanoparticles embedded in GaAs pn junctions grown by molecular beam epitaxy. Voltage-dependent capacitance images reveal localized variations in subsurface electronic structure near buried ErAs nanoparticles at lateral length scales of 20-30 nm. Numerical modeling indicates that these variations arise from inhomogeneities in charge modulation due to Fermi level pinning behavior associated with the embedded ErAs nanoparticles. Statistical analysis of image data yields an average particle radius of 6-8 nm—well below the direct resolution limit in scanning capacitance microscopy but discernible via analysis of patterns in nanoscale capacitance images.

A method for atomic-level noncontact thermometry with electron energy distribution

NASA Astrophysics Data System (ADS)

Kinoshita, Ikuo; Tsukada, Chiharu; Ouchi, Kohei; Kobayashi, Eiichi; Ishii, Juntaro

2017-04-01

We devised a new method of determining the temperatures of materials with their electron-energy distributions. The Fermi-Dirac distribution convoluted with a linear combination of Gaussian and Lorentzian distributions was fitted to the photoelectron spectrum measured for the Au(110) single-crystal surface at liquid N2-cooled temperature. The fitting successfully determined the surface-local thermodynamic temperature and the energy resolution simultaneously from the photoelectron spectrum, without any preliminary results of other measurements. The determined thermodynamic temperature was 99 ± 2.1 K, which was in good agreement with the reference temperature of 98.5 ± 0.5 K measured using a silicon diode sensor attached to the sample holder.

Spin filter and molecular switch based on bowtie-shaped graphene nanoflake

NASA Astrophysics Data System (ADS)

Kang, Jun; Wu, Fengmin; Li, Jingbo

2012-11-01

The magnetic and transport properties of bowtie-shaped graphene nanoflake (BGNF) are investigated from first principles calculations. The eigen states of ferromagnetic (FM) BGNF near Fermi level are found to be delocalized over the whole flake, whereas those of antiferromagnetic (AFM) BGNF are localized in one side. The different characters result in different transport properties for FM and AFM BGNFs. FM BGNF exhibits perfect spin filtering effect and can serve as a spin filter. Moreover, the conductance of BGNF is much larger in FM state than in AFM state, thus BGNF can serve as a molecular switch. These results suggest that BGNF is a good candidate for future nanoelectronics.

Statistics of excitations in the electron glass model

NASA Astrophysics Data System (ADS)

Palassini, Matteo

2011-03-01

We study the statistics of elementary excitations in the classical electron glass model of localized electrons interacting via the unscreened Coulomb interaction in the presence of disorder. We reconsider the long-standing puzzle of the exponential suppression of the single-particle density of states near the Fermi level, by measuring accurately the density of states of charged and electron-hole pair excitations via finite temperature Monte Carlo simulation and zero-temperature relaxation. We also investigate the statistics of large charge rearrangements after a perturbation of the system, which may shed some light on the slow relaxation and glassy phenomena recently observed in a variety of Anderson insulators. In collaboration with Martin Goethe.

Optical properties of graphene nanoflakes: Shape matters.

PubMed

Mansilla Wettstein, Candela; Bonafé, Franco P; Oviedo, M Belén; Sánchez, Cristián G

2016-06-14

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.

Optical properties of graphene nanoflakes: Shape matters

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

Mansilla Wettstein, Candela; Bonafé, Franco P.; Sánchez, Cristián G., E-mail: cgsanchez@fcq.unc.edu.ar

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNFmore » size, which shows three very distinct trends for different shapes and edge geometries.« less

Investigating source confusion in PMN J1603-4904

NASA Astrophysics Data System (ADS)

Krauß, F.; Kreter, M.; Müller, C.; Markowitz, A.; Böck, M.; Burnett, T.; Dauser, T.; Kadler, M.; Kreikenbohm, A.; Ojha, R.; Wilms, J.

2018-02-01

PMN J1603-4904 is a likely member of the rare class of γ-ray emitting young radio galaxies. Only one other source, PKS 1718-649, has been confirmed so far. These objects, which may transition into larger radio galaxies, are a stepping stone to understanding AGN evolution. It is not completely clear how these young galaxies, seen edge-on, can produce high-energy γ rays. PMN J1603-4904 has been detected by TANAMI Very Long Baseline Interferometry (VLBI) observations and has been followed-up with multiwavelength observations. A Fermi Gamma-ray Space Telescope Large Area Telescope (Fermi-LAT) γ-ray source has been associated with this young galaxy in the LAT catalogs. We have obtained Chandra observations of the source to consider the possibility of source confusion due to the relatively large positional uncertainty of Fermi-LAT. The goal was to investigate the possibility of other X-ray bright sources in the vicinity of PMN J1603-4904 that could be counterparts to the γ-ray emission. With Chandra/ACIS, we find no other sources in the uncertainty ellipse of Fermi-LAT data, which includes an improved localization analysis of eight years of data. We further study the X-ray fluxes and spectra. We conclude that PMN J1603-4904 is indeed the second confirmed γ-ray bright young radio galaxy.

Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

NASA Astrophysics Data System (ADS)

Towers, J.; van Zyl, B. P.; Kirkby, W.

2015-08-01

In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

Numerical simulation of the nonlinear dynamics of harmonically driven Riesz-fractional extensions of the Fermi-Pasta-Ulam chains

NASA Astrophysics Data System (ADS)

Macías-Díaz, J. E.

2018-02-01

In this work, we introduce a spatially discrete model that is a modification of the well-known α-Fermi-Pasta-Ulam chain with damping. The system is perturbed at one end by a harmonic disturbance irradiating at a frequency in the forbidden band-gap of the classical regime, and a nonlocal coupling between the oscillators is considered using discrete Riesz fractional derivatives. We propose fully discrete expressions to approximate an energy functional of the system, and we use them to calculate the total energy of fractional chains over a relatively long period of time [Fract. Diff. Appl. 4 (2004) 153-162]. The approach is thoroughly tested in the case of local couplings against known qualitative results, including simulations of the process of nonlinear recurrence in the traditional chains of anharmonic oscillators. As an application, we provide evidence that the process of supratransmission is present in spatially discrete Fermi-Pasta-Ulam lattices with Riesz fractional derivatives in space. Moreover, we perform numerical experiments for small and large amplitudes of the harmonic disturbance. In either case, we establish the dependency of the critical amplitude at which supratransmission begins as a function of the driving frequency. Our results are in good agreement with the analytic predictions for the classical Fermi-Pasta-Ulam chain.

Unidentified Gamma-Ray Sources: Hunting Gamma-Ray Blazars

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

Massaro, F.; D'Abrusco, R.; Tosti, G.

2012-04-02

One of the main scientific objectives of the ongoing Fermi mission is unveiling the nature of the unidentified {gamma}-ray sources (UGSs). Despite the large improvements of Fermi in the localization of {gamma}-ray sources with respect to the past {gamma}-ray missions, about one third of the Fermi-detected objects are still not associated to low energy counterparts. Recently, using the Wide-field Infrared Survey Explorer (WISE) survey, we discovered that blazars, the rarest class of Active Galactic Nuclei and the largest population of {gamma}-ray sources, can be recognized and separated from other extragalactic sources on the basis of their infrared (IR) colors. Basedmore » on this result, we designed an association method for the {gamma}-ray sources to recognize if there is a blazar candidate within the positional uncertainty region of a generic {gamma}-ray source. With this new IR diagnostic tool, we searched for {gamma}-ray blazar candidates associated to the UGS sample of the second Fermi {gamma}-ray catalog (2FGL). We found that our method associates at least one {gamma}-ray blazar candidate as a counterpart each of 156 out of 313 UGSs analyzed. These new low-energy candidates have the same IR properties as the blazars associated to {gamma}-ray sources in the 2FGL catalog.« less

UNIDENTIFIED {gamma}-RAY SOURCES: HUNTING {gamma}-RAY BLAZARS

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

Massaro, F.; Ajello, M.; D'Abrusco, R.

2012-06-10

One of the main scientific objectives of the ongoing Fermi mission is unveiling the nature of unidentified {gamma}-ray sources (UGSs). Despite the major improvements of Fermi in the localization of {gamma}-ray sources with respect to the past {gamma}-ray missions, about one-third of the Fermi-detected objects are still not associated with low-energy counterparts. Recently, using the Wide-field Infrared Survey Explorer survey, we discovered that blazars, the rarest class of active galactic nuclei and the largest population of {gamma}-ray sources, can be recognized and separated from other extragalactic sources on the basis of their infrared (IR) colors. Based on this result, wemore » designed an association method for the {gamma}-ray sources to recognize if there is a blazar candidate within the positional uncertainty region of a generic {gamma}-ray source. With this new IR diagnostic tool, we searched for {gamma}-ray blazar candidates associated with the UGS sample of the second Fermi {gamma}-ray LAT catalog (2FGL). We found that our method associates at least one {gamma}-ray blazar candidate as a counterpart to each of 156 out of 313 UGSs analyzed. These new low-energy candidates have the same IR properties as the blazars associated with {gamma}-ray sources in the 2FGL catalog.« less

Three-component fermions with surface Fermi arcs in tungsten carbide

NASA Astrophysics Data System (ADS)

Ma, J.-Z.; He, J.-B.; Xu, Y.-F.; Lv, B. Q.; Chen, D.; Zhu, W.-L.; Zhang, S.; Kong, L.-Y.; Gao, X.; Rong, L.-Y.; Huang, Y.-B.; Richard, P.; Xi, C.-Y.; Choi, E. S.; Shao, Y.; Wang, Y.-L.; Gao, H.-J.; Dai, X.; Fang, C.; Weng, H.-M.; Chen, G.-F.; Qian, T.; Ding, H.

2018-04-01

Topological Dirac and Weyl semimetals not only host quasiparticles analogous to the elementary fermionic particles in high-energy physics, but also have a non-trivial band topology manifested by gapless surface states, which induce exotic surface Fermi arcs1,2. Recent advances suggest new types of topological semimetal, in which spatial symmetries protect gapless electronic excitations without high-energy analogues3-11. Here, using angle-resolved photoemission spectroscopy, we observe triply degenerate nodal points near the Fermi level of tungsten carbide with space group P 6 ¯m 2 (no. 187), in which the low-energy quasiparticles are described as three-component fermions distinct from Dirac and Weyl fermions. We further observe topological surface states, whose constant-energy contours constitute pairs of `Fermi arcs' connecting to the surface projections of the triply degenerate nodal points, proving the non-trivial topology of the newly identified semimetal state.

Absence of photoemission from the Fermi level in potassium intercalated picene and coronene films: structure, polaron, or correlation physics?

PubMed

Mahns, Benjamin; Roth, Friedrich; Knupfer, Martin

2012-04-07

The electronic structure of potassium intercalated picene and coronene films has been studied using photoemission spectroscopy. Picene has additionally been intercalated using sodium. Upon alkali metal addition core level as well as valence band photoemission data signal a filling of previously unoccupied states of the two molecular materials due to charge transfer from potassium. In contrast to the observation of superconductivity in K(x)picene and K(x)coronene (x ~ 3), none of the films studied shows emission from the Fermi level, i.e., we find no indication for a metallic ground state. Several reasons for this observation are discussed.

Perturbation theory of a superconducting 0 - π impurity quantum phase transition.

PubMed

Žonda, M; Pokorný, V; Janiš, V; Novotný, T

2015-03-06

A single-level quantum dot with Coulomb repulsion attached to two superconducting leads is studied via the perturbation expansion in the interaction strength. We use the Nambu formalism and the standard many-body diagrammatic representation of the impurity Green functions to formulate the Matsubara self-consistent perturbation expansion. We show that at zero temperature second order of the expansion in its spin-symmetric version yields a nearly perfect agreement with the numerically exact calculations for the position of the 0 - π phase boundary at which the Andreev bound states reach the Fermi energy as well as for the values of single-particle quantities in the 0-phase. We present results for phase diagrams, level occupation, induced local superconducting gap, Josephson current, and energy of the Andreev bound states with the precision surpassing any (semi)analytical approaches employed thus far.

Study of the model of hole superconductivity in multiple band cases and its application to transition metals

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

Hong, X.Q.

1992-01-01

The authors have studied a simple model consisting of a chain of atoms with two atoms per unit cell. This model develops two bands when the inter-cell and intra-cell hopping amplitudes are different. They have found that superconductivity predominantly occurs when the Fermi level is close to the top of the upper band where the wavefunction has antibonding feature both inside the unit cell and between unit cells. Superconductivity occurs only in a restricted parameter range when the Fermi level is close to the top of the lower band because of the repulsive interaction within the unit cell. They findmore » that pair expectation values that 'mix' carriers of both bands can exist when interband interactions other than V12 of Suhl et al are present. But the magnitude of the 'mixed pairs' order parameters is much smaller than that of the intra-band pairs. The V12 of Suhl et al is the most important interband interaction that gives rise to the main features of a two-band model: a single transition temperature and two different gaps. They have used the model of hole superconductivity to study the variation of T(sub c) among transition metal series--the Matthias rules. They have found that the observed T(sub c)'s are consistent with superconductivity of a metal with multiple bands at the Fermi level being caused by the single band with strongest antibonding character at the Fermi level. When the Fermi level is the lower part of a band, there is no T(sub c). As the band is gradually filled, T(sub c) rises, passes through a maximum, then drops to zero when the band is full. This characteristic feature is independent of any fine structure of the band. The position of the peak and the width of the peak are correlated. Quantitative agreement with the experimental results is obtained by choosing parameters of onsite Coulomb interaction U, modulated hopping term Delta-t, and nearest neighbor repulsion V to fit the magnitude of T(sub c) and the positions of experimental peaks.« less

Local Criticality and non-Fermi Liquid Behavior in Heavy Fermions

NASA Astrophysics Data System (ADS)

Si, Qimiao

2002-03-01

Quantum criticality provides a means to understand the apparent non-Fermi liquid phenomena in strongly correlated metals. Heavy fermion metals have emerged as a prototype system; many of them explicitly display a magnetic QCP. Experiments have shown that the quantum critical behavior is much richer than expected. One surprise came from neutron scattering, which found that the spin dynamics is anomalous not only near the antiferromagnetic wavevectors but also essentially everywhere in the Brillouin zone. In this talk, I will review the experiments and describe our theoretical work on the subject [1,2,3]. The notion of "local criticality" will be introduced and will be argued to apply to the heavy fermions. Some broader implications of the results will also be discussed. [1] Q. Si, S. Rabello, K. Ingersent, and J. L. Smith, Nature 413, 804 (2001). [2] Q. Si, J. L. Smith and K. Ingersent, Int. Journ. Mod. Phys. B13, 2331 (1999). [3] J. L. Smith and Q. Si, Phys. Rev. B61, 5184 (2000).

Direct k-space mapping of the electronic structure in an oxide-oxide interface.

PubMed

Berner, G; Sing, M; Fujiwara, H; Yasui, A; Saitoh, Y; Yamasaki, A; Nishitani, Y; Sekiyama, A; Pavlenko, N; Kopp, T; Richter, C; Mannhart, J; Suga, S; Claessen, R

2013-06-14

The interface between LaAlO(3) and SrTiO(3) hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to local moments. Experimentally, it has been established that Ti 3d electrons are confined to the interface. Using soft x-ray angle-resolved resonant photoelectron spectroscopy we have directly mapped the interface states in k space. Our data demonstrate a charge dichotomy. A mobile fraction contributes to Fermi surface sheets, whereas a localized portion at higher binding energies is tentatively attributed to electrons trapped by O vacancies in the SrTiO(3). While photovoltage effects in the polar LaAlO(3) layers cannot be excluded, the apparent absence of surface-related Fermi surface sheets could also be fully reconciled in a recently proposed electronic reconstruction picture where the built-in potential in the LaAlO(3) is compensated by surface O vacancies serving also as a charge reservoir.

Tail resonances of Fermi-Pasta-Ulam q-breathers and their impact on the pathway to equipartition

NASA Astrophysics Data System (ADS)

Penati, Tiziano; Flach, Sergej

2007-06-01

Upon initial excitation of a few normal modes the energy distribution among all modes of a nonlinear atomic chain (the Fermi-Pasta-Ulam model) exhibits exponential localization on large time scales. At the same time, resonant anomalies (peaks) are observed in its weakly excited tail for long times preceding equipartition. We observe a similar resonant tail structure also for exact time-periodic Lyapunov orbits, coined q-breathers due to their exponential localization in modal space. We give a simple explanation for this structure in terms of superharmonic resonances. The resonance analysis agrees very well with numerical results and has predictive power. We extend a previously developed perturbation method, based essentially on a Poincaré-Lindstedt scheme, in order to account for these resonances, and in order to treat more general model cases, including truncated Toda potentials. Our results give a qualitative and semiquantitative account for the superharmonic resonances of q-breathers and natural packets.

“Nodal Gap” induced by the incommensurate diagonal spin density modulation in underdoped high- T c superconductors

DOE PAGES

Zhou, Tao; Gao, Yi; Zhu, Jian -Xin

2015-03-07

Recenmore » tly it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the d -wave nodal lines (nodal gap) contrasts the common understanding of the d -wave pairing symmetry, which challenges the present theories for the high- T c superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high- T c superconductors.« less

Dynamics of atom-atom correlations in the Fermi problem

NASA Astrophysics Data System (ADS)

Borrelli, Massimo; Sabín, Carlos; Adesso, Gerardo; Plastina, Francesco; Maniscalco, Sabrina

2012-10-01

We present a detailed perturbative study of the dynamics of several types of atom-atom correlations in the famous Fermi problem. This is an archetypal model to study micro-causality in the quantum domain, where two atoms, one initially excited and the other prepared in its ground state, interact with the vacuum electromagnetic field. The excitation can be transferred to the second atom via a flying photon, and various kinds of quantum correlations between the two are generated during this process. Among these, prominent examples are given by entanglement, quantum discord and non-local correlations. The aim of this paper is to analyze the role of the light cone in the emergence of such correlations.

Measurement of the cosmic ray e+ +e- spectrum from 20 GeV to 1 TeV with the Fermi Large Area Telescope.

PubMed

Abdo, A A; Ackermann, M; Ajello, M; Atwood, W B; Axelsson, M; Baldini, L; Ballet, J; Barbiellini, G; Bastieri, D; Battelino, M; Baughman, B M; Bechtol, K; Bellazzini, R; Berenji, B; Blandford, R D; Bloom, E D; Bogaert, G; Bonamente, E; Borgland, A W; Bregeon, J; Brez, A; Brigida, M; Bruel, P; Burnett, T H; Caliandro, G A; Cameron, R A; Caraveo, P A; Carlson, P; Casandjian, J M; Cecchi, C; Charles, E; Chekhtman, A; Cheung, C C; Chiang, J; Ciprini, S; Claus, R; Cohen-Tanugi, J; Cominsky, L R; Conrad, J; Cutini, S; Dermer, C D; de Angelis, A; de Palma, F; Digel, S W; Di Bernardo, G; do Couto E Silva, E; Drell, P S; Dubois, R; Dumora, D; Edmonds, Y; Farnier, C; Favuzzi, C; Focke, W B; Frailis, M; Fukazawa, Y; Funk, S; Fusco, P; Gaggero, D; Gargano, F; Gasparrini, D; Gehrels, N; Germani, S; Giebels, B; Giglietto, N; Giordano, F; Glanzman, T; Godfrey, G; Grasso, D; Grenier, I A; Grondin, M-H; Grove, J E; Guillemot, L; Guiriec, S; Hanabata, Y; Harding, A K; Hartman, R C; Hayashida, M; Hays, E; Hughes, R E; Jóhannesson, G; Johnson, A S; Johnson, R P; Johnson, W N; Kamae, T; Katagiri, H; Kataoka, J; Kawai, N; Kerr, M; Knödlseder, J; Kocevski, D; Kuehn, F; Kuss, M; Lande, J; Latronico, L; Lemoine-Goumard, M; Longo, F; Loparco, F; Lott, B; Lovellette, M N; Lubrano, P; Madejski, G M; Makeev, A; Massai, M M; Mazziotta, M N; McConville, W; McEnery, J E; Meurer, C; Michelson, P F; Mitthumsiri, W; Mizuno, T; Moiseev, A A; Monte, C; Monzani, M E; Moretti, E; Morselli, A; Moskalenko, I V; Murgia, S; Nolan, P L; Norris, J P; Nuss, E; Ohsugi, T; Omodei, N; Orlando, E; Ormes, J F; Ozaki, M; Paneque, D; Panetta, J H; Parent, D; Pelassa, V; Pepe, M; Pesce-Rollins, M; Piron, F; Pohl, M; Porter, T A; Profumo, S; Rainò, S; Rando, R; Razzano, M; Reimer, A; Reimer, O; Reposeur, T; Ritz, S; Rochester, L S; Rodriguez, A Y; Romani, R W; Roth, M; Ryde, F; Sadrozinski, H F-W; Sanchez, D; Sander, A; Saz Parkinson, P M; Scargle, J D; Schalk, T L; Sellerholm, A; Sgrò, C; Smith, D A; Smith, P D; Spandre, G; Spinelli, P; Starck, J-L; Stephens, T E; Strickman, M S; Strong, A W; Suson, D J; Tajima, H; Takahashi, H; Takahashi, T; Tanaka, T; Thayer, J B; Thayer, J G; Thompson, D J; Tibaldo, L; Tibolla, O; Torres, D F; Tosti, G; Tramacere, A; Uchiyama, Y; Usher, T L; Van Etten, A; Vasileiou, V; Vilchez, N; Vitale, V; Waite, A P; Wallace, E; Wang, P; Winer, B L; Wood, K S; Ylinen, T; Ziegler, M

2009-05-08

Designed as a high-sensitivity gamma-ray observatory, the Fermi Large Area Telescope is also an electron detector with a large acceptance exceeding 2 m;{2} sr at 300 GeV. Building on the gamma-ray analysis, we have developed an efficient electron detection strategy which provides sufficient background rejection for measurement of the steeply falling electron spectrum up to 1 TeV. Our high precision data show that the electron spectrum falls with energy as E-3.0 and does not exhibit prominent spectral features. Interpretations in terms of a conventional diffusive model as well as a potential local extra component are briefly discussed.

THE MECHANISMS OF ELECTRON ACCELERATION DURING MULTIPLE X LINE MAGNETIC RECONNECTION WITH A GUIDE FIELD

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

Wang, Huanyu; Lu, Quanming; Huang, Can

2016-04-20

The interactions between magnetic islands are considered to play an important role in electron acceleration during magnetic reconnection. In this paper, two-dimensional particle-in-cell simulations are performed to study electron acceleration during multiple X line reconnection with a guide field. Because the electrons remain almost magnetized, we can analyze the contributions of the parallel electric field, Fermi, and betatron mechanisms to electron acceleration during the evolution of magnetic reconnection through comparison with a guide-center theory. The results show that with the magnetic reconnection proceeding, two magnetic islands are formed in the simulation domain. Next, the electrons are accelerated by both themore » parallel electric field in the vicinity of the X lines and the Fermi mechanism due to the contraction of the two magnetic islands. Then, the two magnetic islands begin to merge into one, and, in such a process, the electrons can be accelerated by both the parallel electric field and betatron mechanisms. During the betatron acceleration, the electrons are locally accelerated in the regions where the magnetic field is piled up by the high-speed flow from the X line. At last, when the coalescence of the two islands into one big island finishes, the electrons can be further accelerated by the Fermi mechanism because of the contraction of the big island. With the increase of the guide field, the contributions of the Fermi and betatron mechanisms to electron acceleration become less and less important. When the guide field is sufficiently large, the contributions of the Fermi and betatron mechanisms are almost negligible.« less

Secondary electron emission yield dependence on the Fermi level in Silicon

NASA Astrophysics Data System (ADS)

Urrabazo, David; Goeckner, Matthew; Overzet, Lawrence

2013-09-01

Secondary Electron Emission (SEE) by ion bombardment plays a key role in determining the properties of many plasmas. As a result, significant efforts have been expended to control the SEE coefficient (increasing or decreasing it) by tailoring the electron work function of surfaces. A few recent publications point to the possibility of controlling the SEE coefficient of semiconductor surfaces in real time through controlling the numbers of electrons in the conduction band near the surface. Large control over the plasma was achieved by injecting electrons into the semiconductor just under the cathode surface via a subsurface PN junction. The hypothesis was that SEE is dependent on the numbers of electrons in the conduction band near the surface (which is related to the position of the Fermi level near the surface). We are testing the validity of this hypothesis. We have begun fundamental ion beam studies to explore this possible dependence of SEE on the Fermi energy level using Si. Various doping levels and dopants are being evaluated and the results of these tests will be presented. This work was supported in part by US Dept. of Energy. Acknowledgement to Dr. L. Raja at UT Austin.

Partially filled Landau level at even denominators: A vortex metal with a Berry phase

NASA Astrophysics Data System (ADS)

You, Yizhi

2018-04-01

We develop a vortex metal theory for a partially filled Landau level at ν =1/2 n whose ground state contains a composite Fermi surface formed by the vortex of electrons. In the projected Landau-level limit, the composite Fermi surface contains a -π/n Berry phase. Such a fractional Berry phase is a consequence of Landau-level projection which produces the Girvin-MacDonald-Platzman [S. M. Girvin, A. H. MacDonald, and P. M. Platzman, Phys. Rev. B 33, 2481 (1986), 10.1103/PhysRevB.33.2481] guiding center algebra and embellishes an anomalous velocity to the equation of motion for the vortex metal. Further, we investigate a particle-hole symmetric bilayer system with ν1=1/2 n and ν2=1 -1/2 n at each layer, and demonstrate that the -π/n Berry phase on the composite Fermi surface leads to the suppression of 2 kf backscattering between the particle-hole partner bilayer, which could be a smoking gun to detect the fractional Berry phase. We also mention various instabilities and competing orders in such bilayer systems, including a Z4 n topological order phase driven by quantum criticality.

Decreasing the Hydroxylation Affinity of La 1–x Sr x MnO 3 Perovskites To Promote Oxygen Reduction Electrocatalysis

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

Stoerzinger, Kelsey A.; Hong, Wesley T.; Wang, Xiao Renshaw

Understanding the interaction between oxides and water is critical to design many of their functionalities, including the electrocatalysis of molecular oxygen reduction. In this study, we probed the hydroxylation of model (001)-oriented La(1-x)SrxMnO3 (LSMO) perovskite surfaces, where the electronic structure and manganese valence was controlled by five substitution levels of lanthanum with strontium, using ambient pressure X-ray photoelectron spectroscopy in a humid environment. The degree of hydroxyl formation on the oxide surface correlated with the proximity of the valence band center relative to the Fermi level. LSMO perovskites with a valence band center closer to the Fermi level were moremore » reactive toward water, forming more hydroxyl species at a given relative humidity. More hydroxyl species correlate with greater electron-donating character to the surface free energy in wetting, and reduce the activity to catalyze oxygen reduction reaction (ORR) kinetics in basic solution. New strategies to design more active catalysts should include design of electronically conducting oxides with lower valence band centers relative to the Fermi level at ORR-relevant potentials.« less

Potentiometric Titrations for Measuring the Capacitance of Colloidal Photodoped ZnO Nanocrystals.

PubMed

Brozek, Carl K; Hartstein, Kimberly H; Gamelin, Daniel R

2016-08-24

Colloidal semiconductor nanocrystals offer a unique opportunity to bridge molecular and bulk semiconductor redox phenomena. Here, potentiometric titration is demonstrated as a method for quantifying the Fermi levels and charging potentials of free-standing colloidal n-type ZnO nanocrystals possessing between 0 and 20 conduction-band electrons per nanocrystal, corresponding to carrier densities between 0 and 1.2 × 10(20) cm(-3). Potentiometric titration of colloidal semiconductor nanocrystals has not been described previously, and little precedent exists for analogous potentiometric titration of any soluble reductants involving so many electrons. Linear changes in Fermi level vs charge-carrier density are observed for each ensemble of nanocrystals, with slopes that depend on the nanocrystal size. Analysis indicates that the ensemble nanocrystal capacitance is governed by classical surface electrical double layers, showing no evidence of quantum contributions. Systematic shifts in the Fermi level are also observed with specific changes in the identity of the charge-compensating countercation. As a simple and contactless alternative to more common thin-film-based voltammetric techniques, potentiometric titration offers a powerful new approach for quantifying the redox properties of colloidal semiconductor nanocrystals.

The electronic structures and work functions of (100) surface of typical binary and doped REB6 single crystals

NASA Astrophysics Data System (ADS)

Liu, Hongliang; Zhang, Xin; Xiao, Yixin; Zhang, Jiuxing

2018-03-01

The density function theory been used to calculate the electronic structures of binary and doped rare earth hexaborides (REB6), which exhibits the large density of states (DOS) near Fermi level. The d orbital elections of RE element contribute the electronic states of election emission near the Fermi level, which imply that the REB6 (RE = La, Ce, Gd) with wide distribution of high density d orbital electrons could provide a lower work function and excellent emission properties. Doping RE elements into binary REB6 can adjust DOS and the position of the Fermi energy level. The calculated work functions of considered REB6 (100) surface show that the REB6 (RE = La, Ce, Gd) have lower work function and doping RE elements with active d orbital electrons can significantly reduce work function of binary REB6. The thermionic emission test results are basically accordant with the calculated value, proving the first principles calculation could provide a good theoretical guidance for the study of electron emission properties of REB6.

Tunable graphene-based mid-infrared plasmonic multispectral and narrow band-stop filter

NASA Astrophysics Data System (ADS)

Wang, Xianjun; Meng, Hongyun; Liu, Shuai; Deng, Shuying; Jiao, Tao; Wei, Zhongchao; Wang, Faqiang; Tan, Chunhua; Huang, Xuguang

2018-04-01

In this paper, we numerically investigate the band-stop properties of single- or few-layers doped graphene ribbon arrays operating in the mid-infrared region by finite-difference time-domain method (FDTD). A perfect band-stop filter with extinction ratio (ER) ∼17 dB, 3 dB bandwidth ∼200 nm and the resonance notch located at 6.64 μm can be achieved. And desired working regions can be obtained by tuning the Fermi level (E f ) of the graphene ribbons and the geometrical parameters of the structure. Besides, by tuning the Fermi level of odd or even graphene ribbons with terminal gate voltage, we can achieve a dual-circuit switch with four states combinations of on-to-off. Furthermore, the multiple filter notches can be achieved by stacking few-layers structure, and the filter dips can be dynamically tuned to achieve the tunability and selective characteristics by tuning the Fermi-level of the graphene ribbons in the system. We believe that our proposal has the potential applications in selective filters and active plasmonic switching in the mid-infrared region.

Simulating Charge Transport in Solid Oxide Mixed Ionic and Electronic Conductors: Nernst-Planck Theory vs Modified Fick's Law

DOE PAGES

Jin, Xinfang; White, Ralph E.; Huang, Kevin

2016-10-04

With the assumption that the Fermi level (electrochemical potential of electrons) is uniform across the thickness of a mixed ionic and electronic conducting (MIEC) electrode, the charge-transport model in the electrode domain can be reduced to the modified Fick’s first law, which includes a thermodynamic factor A. A transient numerical solution of the Nernst-Planck theory was obtained for a symmetric cell with MIEC electrodes to illustrate the validity of the assumption of a uniform Fermi level. Subsequently, an impedance numerical solution based on the modified Fick’s first law is compared with that from the Nernst-Planck theory. The results show thatmore » Nernst-Planck charge-transport model is essentially the same as the modified Fick’s first law model as long as the MIEC electrodes have a predominant electronic conductivity. However, because of the invalidity of the uniform Fermi level assumption for aMIEC electrolyte with a predominant ionic conductivity, Nernst-Planck theory is needed to describe the charge transport behaviors.« less

Cu doped diamond: Effect of charge state and defect aggregation on spin interactions in a 3d transition metal doped wide band-gap semiconductor

NASA Astrophysics Data System (ADS)

Benecha, E. M.; Lombardi, E. B.

2018-05-01

We present a first principles study of Cu in diamond using DFT+U electronic structure methods, by carefully considering the impact of co-doping, charge state, and Fermi level position on its stability, lattice location, spin states, and electronic properties. We show that the energetic stability and spin states of Cu are strongly dependent on the Fermi level position and the type of diamond co-doping, with Cu being energetically more favorable in n-type or p-type co-doped diamond compared to intrinsic diamond. Since Cu has been predicted to order magnetically in a number of other wide band-gap semiconductors, we have also evaluated this possibility for Cu doped diamond. We show that while Cu exhibits strong spin interactions at specific interatomic separations in diamond, a detailed consideration of the impact of Fermi level position and Cu aggregation precludes magnetic ordering, with Cu forming non-magnetic, antiferromagnetic, or paramagnetic clusters. These results have important implications in the understanding of the properties of transition metal dopants in diamond for device applications.

Fermi-level tuning of the Dirac surface state in (Bi1-x Sb x )2Se3 thin films

NASA Astrophysics Data System (ADS)

Satake, Yosuke; Shiogai, Junichi; Takane, Daichi; Yamada, Keiko; Fujiwara, Kohei; Souma, Seigo; Sato, Takafumi; Takahashi, Takashi; Tsukazaki, Atsushi

2018-02-01

We report on the electronic states and the transport properties of three-dimensional topological insulator (Bi1-x Sb x )2Se3 ternary alloy thin films grown on an isostructural Bi2Se3 buffer layer on InP substrates. By angle-resolved photoemission spectroscopy, we clearly detected Dirac surface states with a large bulk band gap of 0.2-0.3 eV in the (Bi1-x Sb x )2Se3 film with x  =  0.70. In addition, we observed by Hall effect measurements that the dominant charge carrier converts from electron (n-type) to hole (p-type) at around x  =  0.7, indicating that the Fermi level can be controlled across the Dirac point. Indeed, the carrier transport was shown to be governed by Dirac surface state in 0.63  ⩽  x  ⩽  0.75. These features suggest that Fermi-level tunable (Bi1-x Sb x )2Se3-based heterostructures provide a platform for extracting exotic topological phenomena.

The InterPlanetary Network Supplement to the Second Fermi GBM Catalog of Cosmic Gamma-Ray Bursts

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

Hurley, K.; Aptekar, R. L.; Golenetskii, S. V.

InterPlanetary Network (IPN) data are presented for the gamma-ray bursts in the second Fermi Gamma-Ray Burst Monitor (GBM) catalog. Of the 462 bursts in that catalog between 2010 July 12 and 2012 July 11, 428, or 93%, were observed by at least 1 other instrument in the 9-spacecraft IPN. Of the 428, the localizations of 165 could be improved by triangulation. For these bursts, triangulation gives one or more annuli whose half-widths vary between about 2.′3° and 16°, depending on the peak flux, fluence, time history, arrival direction, and the distance between the spacecraft. We compare the IPN localizations withmore » the GBM 1 σ , 2 σ , and 3 σ error contours and find good agreement between them. The IPN 3 σ error boxes have areas between about 8 square arcminutes and 380 square degrees, and are an average of 2500 times smaller than the corresponding GBM 3 σ localizations. We identify four bursts in the IPN/GBM sample whose origins were given as “uncertain,” but may in fact be cosmic. This leads to an estimate of over 99% completeness for the GBM catalog.« less

Nonmonotonic pressure evolution of the upper critical field in superconducting FeSe

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

Kaluarachchi, Udhara S.; Taufour, Valentin; Böhmer, Anna E.

2016-02-01

The pressure dependence of the upper critical field, H c2,c, of single crystalline FeSe was studied using measurements of the interplane resistivity, ρ c, in magnetic fields parallel to tetragonal c axis. H c2,c(T) curves obtained under hydrostatic pressures up to 1.56 GPa, the range over which the superconducting transition temperature, T c, of FeSe exhibits a nonmonotonic dependence with local maximum at p 1 ≈ 0.8 GPa and local minimum at p 2 ≈ 1.2 GPa. The slope of the upper critical field at T c,(dH c2,c/dT)T c, also exhibits a nonmonotonic pressure dependence with distinct changes at pmore » 1 and p 2. For p < p 1 the slope can be described within a multiband orbital model. For both p 1 < p < p 2 and p > p 2 the slope is in good semiquantitative agreement with a single band, orbital Helfand-Werthamer theory with Fermi velocities determined from Shubnikov–de Haas measurements. Lastly, this finding indicates that Fermi surface changes are responsible for the local minimum of T c(p) at p 2 ≈ 1.2 GPa.« less

Direct observation of how the heavy-fermion state develops in CeCoIn5

NASA Astrophysics Data System (ADS)

Chen, Q. Y.; Xu, D. F.; Niu, X. H.; Jiang, J.; Peng, R.; Xu, H. C.; Wen, C. H. P.; Ding, Z. F.; Huang, K.; Shu, L.; Zhang, Y. J.; Lee, H.; Strocov, V. N.; Shi, M.; Bisti, F.; Schmitt, T.; Huang, Y. B.; Dudin, P.; Lai, X. C.; Kirchner, S.; Yuan, H. Q.; Feng, D. L.

2017-07-01

Heavy-fermion systems share some of the strange metal phenomenology seen in other unconventional superconductors, providing a unique opportunity to set strange metals in a broader context. Central to understanding heavy-fermion systems is the interplay of localization and itinerancy. These materials acquire high electronic masses and a concomitant Fermi volume increase as the f electrons delocalize at low temperatures. However, despite the wide-spread acceptance of this view, a direct microscopic verification has been lacking. Here we report high-resolution angle-resolved photoemission measurements on CeCoIn5, a prototypical heavy-fermion compound, which spectroscopically resolve the development of band hybridization and the Fermi surface expansion over a wide temperature region. Unexpectedly, the localized-to-itinerant transition occurs at surprisingly high temperatures, yet f electrons are still largely localized even at the lowest temperature. These findings point to an unanticipated role played by crystal-field excitations in the strange metal behavior of CeCoIn5. Our results offer a comprehensive experimental picture of the heavy-fermion formation, setting the stage for understanding the emergent properties, including unconventional superconductivity, in this and related materials.

2D massless Dirac Fermi gas model of superconductivity in the surface state of a topological insulator at high magnetic fields

NASA Astrophysics Data System (ADS)

Zhuravlev, Vladimir; Duan, Wenye; Maniv, Tsofar

2017-10-01

The Nambu-Gorkov Green's function approach is applied to strongly type-II superconductivity in a 2D spin-momentum-locked (Weyl) Fermi gas model at high perpendicular magnetic fields. The resulting phase diagram can be mapped onto that derived for the standard, parabolic band-structure model, having the same Fermi surface parameters, E F and v, but with cyclotron effective mass m\\ast=EF/2v2 . Significant deviations from the predicted mapping are found only for very small E F , when the Landau-Level filling factors are smaller than unity, and E F shrinks below the cutoff energy.

Photoemission and x-ray absorption studies of the isostructural to Fe-based superconductors diluted magnetic semiconductor Ba1 -xKx(Zn1 -yMny)2As2

NASA Astrophysics Data System (ADS)

Suzuki, H.; Zhao, K.; Shibata, G.; Takahashi, Y.; Sakamoto, S.; Yoshimatsu, K.; Chen, B. J.; Kumigashira, H.; Chang, F.-H.; Lin, H.-J.; Huang, D. J.; Chen, C. T.; Gu, Bo; Maekawa, S.; Uemura, Y. J.; Jin, C. Q.; Fujimori, A.

2015-04-01

The electronic and magnetic properties of a new diluted magnetic semiconductor (DMS) Ba1 -xKx (Zn1 -yMny )2As2 , which is isostructural to so-called 122-type Fe-based superconductors, are investigated by x-ray absorption spectroscopy (XAS) and resonance photoemission spectroscopy (RPES). Mn L2 ,3-edge XAS indicates that the doped Mn atoms have a valence 2+ and strongly hybridize with the 4 p orbitals of the tetrahedrally coordinating As ligands. The Mn 3 d partial density of states obtained by RPES shows a peak around 4 eV and is relatively high between 0 and 2 eV below the Fermi level (EF) with little contribution at EF, similar to that of the archetypal DMS Ga1 -xMnxAs . This energy level creates a d5 electron configuration with S =5 /2 local magnetic moments at the Mn atoms. Hole carriers induced by K substitution for Ba atoms go into the top of the As 4 p valence band and are weakly bound to the Mn local spins. The ferromagnetic correlation between the local spins mediated by the hole carriers induces ferromagnetism in Ba1 -xKx (Zn1 -yMny )2As2 .

Observations of MilkyWay Dwarf Spheroidal galaxies with the Fermi-LAT detector and

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

Abdo, A.A.; Ackermann, M.; Ajello, M.

We report on the observations of 14 dwarf spheroidal galaxies with the Fermi Gamma-Ray Space Telescope taken during the first 11 months of survey mode operations. The Fermi telescope, which is conducting an all-sky {gamma}-ray survey in the 20 MeV to >300 GeV energy range, provides a new opportunity to test particle dark matter models through the expected {gamma}-ray emission produced by pair annihilation of weakly interacting massive particles (WIMPs). Local Group dwarf spheroidal galaxies, the largest galactic substructures predicted by the cold dark matter scenario, are attractive targets for such indirect searches for dark matter because they are nearbymore » and among the most extreme dark matter dominated environments. No significant {gamma}-ray emission was detected above 100 MeV from the candidate dwarf galaxies. We determine upper limits to the {gamma}-ray flux assuming both power-law spectra and representative spectra from WIMP annihilation. The resulting integral flux above 100 MeV is constrained to be at a level below around 10{sup -9} photons cm{sup -2}s{sup -1}. Using recent stellar kinematic data, the {gamma}-ray flux limits are combined with improved determinations of the dark matter density profile in 8 of the 14 candidate dwarfs to place limits on the pair annihilation cross-section ofWIMPs in several widely studied extensions of the standard model, including its supersymmetric extension and other models that received recent attention. With the present data, we are able to rule out large parts of the parameter space where the thermal relic density is below the observed cosmological dark matter density and WIMPs (neutralinos here) are dominantly produced non-thermally, e.g. in models where supersymmetry breaking occurs via anomaly mediation. The {gamma}-ray limits presented here also constrain some WIMP models proposed to explain the Fermi and PAMELA e{sup +}e{sup -} data, including low-mass wino-like neutralinos and models with TeV masses pair-annihilating into muon-antimuon pairs.« less

A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

NASA Astrophysics Data System (ADS)

Panda, Saswati; Sahoo, D. D.; Rout, G. C.

2018-04-01

We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.

Friedel oscillation near a van Hove singularity in two-dimensional Dirac materials

NASA Astrophysics Data System (ADS)

Lu, Chi-Ken

2016-02-01

We consider Friedel oscillation in the two-dimensional Dirac materials when the Fermi level is near the van Hove singularity. Twisted graphene bilayer and the surface state of topological crystalline insulator are the representative materials which show low-energy saddle points that are feasible to probe by gating. We approximate the Fermi surface near saddle point with a hyperbola and calculate the static Lindhard response function. Employing a theorem of Lighthill, the induced charge density δ n due to an impurity is obtained and the algebraic decay of δ n is determined by the singularity of the static response function. Although a hyperbolic Fermi surface is rather different from a circular one, the static Lindhard response function in the present case shows a singularity similar with the response function associated with circular Fermi surface, which leads to the δ n\\propto {{R}-2} at large distance R. The dependences of charge density on the Fermi energy are different. Consequently, it is possible to observe in twisted graphene bilayer the evolution that δ n\\propto {{R}-3} near Dirac point changes to δ n\\propto {{R}-2} above the saddle point. Measurements using scanning tunnelling microscopy around the impurity sites could verify the prediction.

Temperature-driven Topological Phase Transition in MoTe2

NASA Astrophysics Data System (ADS)

Notis Berger, Ayelet; Andrade, Erick; Kerelsky, Alex; Cheong, Sang-Wook; Li, Jian; Bernevig, B. Andrei; Pasupathy, Abhay

The discovery of several candidates predicted to be weyl semimetals has made it possible to experimentally study weyl fermions and their exotic properties. One example is MoTe2, a transition metal dichalcogenide. At temperatures below 240 K it is predicted to be a type II Weyl semimetal with four Weyl points close to the fermi level. As with most weyl semimetals, the complicated band structure causes difficulty in distinguishing features related to bulk states and those related to topological fermi arc surface states characteristic of weyl semimetals. MoTe2 is unique because of its temperature-driven phase change. At high temperatures, MoTe2 is monoclinic, with trivial surface states. When cooled below 240K, it undergoes a first order phase transition to become an orthorhombic weyl semimetal with topologically protected fermi arc surface states. We present STM and STS measurements on MoTe2 crystals in both states. In the orthorhombic phase, we observe scattering that is consistent with the presence of the Fermi-arc surface states. Upon warming into the monoclinic phase, these features disappear in the observed interference patterns, providing direct evidence of the topological nature of the fermi arcs in the Weyl phase

Valency configuration of transition metal impurities in ZnO

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

Petit, Leon; Schulthess, Thomas C; Svane, Axel

2006-01-01

We use the self-interaction corrected local spin-density approximation to investigate the ground state valency configuration of transition metal (TM=Mn, Co) impurities in n- and p-type ZnO. We find that in pure Zn{sub 1-x}TM{sub x}O, the localized TM{sup 2+} configuration is energetically favored over the itinerant d-electron configuration of the local spin density (LSD) picture. Our calculations indicate furthermore that the (+/0) donor level is situated in the ZnO gap. Consequently, for n-type conditions, with the Fermi energy {epsilon}F close to the conduction band minimum, TM remains in the 2+ charge state, while for p-type conditions, with {epsilon}F close to themore » valence band maximum, the 3+ charge state is energetically preferred. In the latter scenario, modeled here by co-doping with N, the additional delocalized d-electron charge transfers into the entire states at the top of the valence band, and hole carriers will only exist, if the N concentration exceeds the TM impurity concentration.« less

Localized to itinerant transition of f electrons in ordered Ce films on W(110)

NASA Astrophysics Data System (ADS)

Chen, Q. Y.; Feng, W.; Xie, D. H.; Lai, X. C.; Zhu, X. G.; Huang, L.

2018-04-01

A key issue to understand the driving force and underlying physics in the isostructural γ -α transition in Cerium is the character of the 4 f states, whether it is localized or itinerant. Here the surface topography and electronic structure of the well-ordered Ce metal films on a W(110) substrate were investigated by using scanning tunneling microscopy, angle-resolved photoemission spectroscopy and density functional theory, and single-site dynamical mean-field theory calculations. Three nearly flat f bands can be observed, and a weakly dispersive quasiparticle band near the Fermi level has been directly observed at low temperature, indicating the hybridization between f electrons and conduction electrons in the low-temperature α phase. The hybridization strength becomes weaker upon increasing temperature, and the f electrons become almost fully localized at 300 K in the high-temperature γ phase. The observed localized-to-itinerant transition of the f electrons with decreasing temperature gives direct experimental proof for the changes of the 4 f character in the isostructural γ -α phase transition. Our results suggest that the character of the f electrons plays a crucial role during the γ -α phase transition.

Generalized charge-screening in relativistic Thomas–Fermi model

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

Akbari-Moghanjoughi, M.

In this paper, we study the charge shielding within the relativistic Thomas-Fermi model for a wide range of electron number-densities and the atomic-number of screened ions. A generalized energy-density relation is obtained using the force-balance equation and taking into account the Chandrasekhar's relativistic electron degeneracy pressure. By numerically solving a second-order nonlinear differential equation, the Thomas-Fermi screening length is investigated, and the results are compared for three distinct regimes of the solid-density, warm-dense-matter, and white-dwarfs (WDs). It is revealed that our nonlinear screening theory is compatible with the exponentially decaying Thomas-Fermi-type shielding predicted by the linear response theory. Moreover, themore » variation of relative Thomas-Fermi screening length shows that extremely dense quantum electron fluids are relatively poor charge shielders. Calculation of the total number of screening electrons around a nucleus shows that there is a position of maximum number of screening localized electrons around the screened nucleus, which moves closer to the point-like nucleus by increase in the plasma number density but is unaffected due to increase in the atomic-number value. It is discovered that the total number of screening electrons, (N{sub s}∝r{sub TF}{sup 3}/r{sub d}{sup 3} where r{sub TF} and r{sub d} are the Thomas-Fermi and interparticle distance, respectively) has a distinct limit for extremely dense plasmas such as WD-cores and neutron star crusts, which is unique for all given values of the atomic-number. This is equal to saying that in an ultrarelativistic degeneracy limit of electron-ion plasma, the screening length couples with the system dimensionality and the plasma becomes spherically self-similar. Current analysis can provide useful information on the effects of relativistic correction to the charge screening for a wide range of plasma density, such as the inertial-confined plasmas and compact stellar objects.« less

Stochastic Fermi Energization of Coronal Plasma during Explosive Magnetic Energy Release

NASA Astrophysics Data System (ADS)

Pisokas, Theophilos; Vlahos, Loukas; Isliker, Heinz; Tsiolis, Vassilis; Anastasiadis, Anastasios

2017-02-01

The aim of this study is to analyze the interaction of charged particles (ions and electrons) with randomly formed particle scatterers (e.g., large-scale local “magnetic fluctuations” or “coherent magnetic irregularities”) using the setup proposed initially by Fermi. These scatterers are formed by the explosive magnetic energy release and propagate with the Alfvén speed along the irregular magnetic fields. They are large-scale local fluctuations (δB/B ≈ 1) randomly distributed inside the unstable magnetic topology and will here be called Alfvénic Scatterers (AS). We constructed a 3D grid on which a small fraction of randomly chosen grid points are acting as AS. In particular, we study how a large number of test particles evolves inside a collection of AS, analyzing the evolution of their energy distribution and their escape-time distribution. We use a well-established method to estimate the transport coefficients directly from the trajectories of the particles. Using the estimated transport coefficients and solving the Fokker-Planck equation numerically, we can recover the energy distribution of the particles. We have shown that the stochastic Fermi energization of mildly relativistic and relativistic plasma can heat and accelerate the tail of the ambient particle distribution as predicted by Parker & Tidman and Ramaty. The temperature of the hot plasma and the tail of the energetic particles depend on the mean free path (λsc) of the particles between the scatterers inside the energization volume.

Temperature dependence of the symmetry energy and neutron skins in Ni, Sn, and Pb isotopic chains

NASA Astrophysics Data System (ADS)

Antonov, A. N.; Kadrev, D. N.; Gaidarov, M. K.; Sarriguren, P.; de Guerra, E. Moya

2017-02-01

The temperature dependence of the symmetry energy for isotopic chains of even-even Ni, Sn, and Pb nuclei is investigated in the framework of the local density approximation (LDA). The Skyrme energy density functional with two Skyrme-class effective interactions, SkM* and SLy4, is used in the calculations. The temperature-dependent proton and neutron densities are calculated through the hfbtho code that solves the nuclear Skyrme-Hartree-Fock-Bogoliubov problem by using the cylindrical transformed deformed harmonic-oscillator basis. In addition, two other density distributions of 208Pb, namely the Fermi-type density determined within the extended Thomas-Fermi (TF) method and symmetrized-Fermi local density obtained within the rigorous density functional approach, are used. The kinetic energy densities are calculated either by the hfbtho code or, for a comparison, by the extended TF method up to second order in temperature (with T2 term). Alternative ways to calculate the symmetry energy coefficient within the LDA are proposed. The results for the thermal evolution of the symmetry energy coefficient in the interval T =0 -4 MeV show that its values decrease with temperature. The temperature dependence of the neutron and proton root-mean-square radii and corresponding neutron skin thickness is also investigated, showing that the effect of temperature leads mainly to a substantial increase of the neutron radii and skins, especially in the more neutron-rich nuclei, a feature that may have consequences on astrophysical processes and neutron stars.

Linking Nuclear Reactions and Nuclear Structure on the Way to the Drip Line

NASA Astrophysics Data System (ADS)

Dickhoff, Willem

2012-10-01

The present understanding of the role of short- and long-range physics in determining proton properties near the Fermi energy for stable closed-shell nuclei has relied on data from the (e,e'p) reaction. Hadronic tools to extract such spectroscopic information have been hampered by the lack of a consistent reaction description that provides unambiguous and undisputed results. The dispersive optical model (DOM), originally conceived by Claude Mahaux, provides a unified description of both elastic nucleon scattering and structure information related to single-particle properties below the Fermi energy. The DOM provides the starting point to provide a framework in which nuclear reactions and structure data can be analyzed consistently to provide unambiguous spectroscopic information including its asymmetry dependence. Recent extensions of this approach include the treatment of non-locality to describe experimental data like the nuclear charge density based on information of the spectral density below the Fermi energy, the application of the DOM ingredients to the description of transfer reactions, a comparison of the microscopic content of the nucleon self-energy based on Faddeev-RPA calculations emphasizing long-range correlations with DOM potentials, and a study of the relation between a self-energy which includes the effect of short-range correlations with DOM potentials. The most recent Dom implementation currently in progress abandons the constraint of local potentials completely to allow an accurate description of various properties of the nuclear ground state.

Revised FINAL–REPORT NO. 2: INDEPENDENT CONFIRMATORY SURVEY SUMMARY AND RESULTS FOR THE ENRICO FERMI ATOMIC POWER PLANT, UNIT 1, NEWPORT, MICHIGAN (DOCKET NO. 50 16; RFTA 10-004) 2018-SR-02-1

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

Erika Bailey

2011-10-27

The Enrico Fermi Atomic Power Plant, Unit 1 (Fermi 1) was a fast breeder reactor design that was cooled by sodium and operated at essentially atmospheric pressure. On May 10, 1963, the Atomic Energy Commission (AEC) granted an operating license, DPR-9, to the Power Reactor Development Company (PRDC), a consortium specifically formed to own and operate a nuclear reactor at the Fermi 1 site. The reactor was designed for a maximum capability of 430 megawatts (MW); however, the maximum reactor power with the first core loading (Core A) was 200 MW. The primary system was filled with sodium in Decembermore » 1960 and criticality was achieved in August 1963. The reactor was tested at low power during the first couple years of operation. Power ascension testing above 1 MW commenced in December 1965 immediately following the receipt of a high-power operating license. In October 1966 during power ascension, zirconium plates at the bottom of the reactor vessel became loose and blocked sodium coolant flow to some fuel subassemblies. Two subassemblies started to melt and the reactor was manually shut down. No abnormal releases to the environment occurred. Forty-two months later after the cause had been determined, cleanup completed, and the fuel replaced, Fermi 1 was restarted. However, in November 1972, PRDC made the decision to decommission Fermi 1 as the core was approaching its burn-up limit. The fuel and blanket subassemblies were shipped off-site in 1973. Following that, the secondary sodium system was drained and sent off-site. The radioactive primary sodium was stored on-site in storage tanks and 55 gallon (gal) drums until it was shipped off-site in 1984. The initial decommissioning of Fermi 1 was completed in 1975. Effective January 23, 1976, DPR-9 was transferred to the Detroit Edison Company (DTE) as a 'possession only' license (DTE 2010a). This report details the confirmatory activities performed during the second Oak Ridge Institute for Science and Education (ORISE) site visit to Fermi 1 in November 2010. The survey was strategically planned during a Unit 2 (Fermi 2) outage to take advantage of decreased radiation levels that were observed and attributed to Fermi 2 from the operating unit during the first site visit. However, during the second visit there were elevated radiation levels observed and attributed to the partially dismantled Fermi 1 reactor vessel and a waste storage box located on the 3rd floor of the Fermi 1 Turbine Building. Confirmatory surveys (unshielded) performed directly in the line of sight of these areas were affected. The objective of the confirmatory survey was to verify that the final radiological conditions were accurately and adequately described in Final Status Survey (FSS) documentation, relative to the established release criteria. This objective was achieved by performing document reviews, as well as independent measurements and sampling. Specifically, documentation of the planning, implementation, and results of the FSS were evaluated; side-by-side FSS measurement and source comparisons were performed; site areas were evaluated relative to appropriate FSS classification; and areas were assessed for residual, undocumented contamination.« less

Chemical contrast in STM imaging of transition metal aluminides

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

Duguet, T.; Thiel, Patricia A.

2012-08-01

The present manuscript reviews recent scanning tunnelling microscopy (STM) studies of transition metal (TM) aluminide surfaces. It provides a general perspective on the contrast between Al atoms and TM atoms in STM imaging. A general trend is the much stronger bias dependence of TM atoms, or TM-rich regions of the surface. This dependence can be attenuated by the local chemical arrangements and environments. Al atoms can show a stronger bias dependence when their chemical environment, such as their immediate subsurface, is populated with TM. All this is well explained in light of combined results of STM and both theoretical andmore » experimental electronic and crystallographic structure determinations. Since STM probes the Fermi surface, the electronic structure in the vicinity of the Fermi level (EF) is essential for understanding contrast and bias dependence. Hence, partial density of states provides information about the TM d band position and width, s–p–d hybridization or interactions, or charge transfer between constituent elements. In addition, recent developments in STM image simulations are very interesting for elucidating chemical contrast at Al–TM alloy surfaces, and allow direct atomic identification, when the surface does not show too much disorder. Overall, we show that chemically-specific imaging is often possible at these surfaces.« less

Dark matter subhalos and unidentified sources in the Fermi 3FGL source catalog

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

Schoonenberg, Djoeke; Gaskins, Jennifer; Bertone, Gianfranco

2016-05-01

If dark matter consists of weakly interacting massive particles (WIMPs), dark matter subhalos in the Milky Way could be detectable as gamma-ray point sources due to WIMP annihilation. In this work, we perform an updated study of the detectability of dark matter subhalos as gamma-ray sources with the Fermi Large Area Telescope (Fermi LAT). We use the results of the Via Lactea II simulation, scaled to the Planck 2015 cosmological parameters, to predict the local dark matter subhalo distribution. Under optimistic assumptions for the WIMP parameters—a 40 GeV particle annihilating to b b-bar with a thermal cross-section, as required tomore » explain the Galactic center GeV excess—we predict that at most ∼ 10 subhalos might be present in the third Fermi LAT source catalog (3FGL). This is a smaller number than has been predicted by prior studies, and we discuss the origin of this difference. We also compare our predictions for the detectability of subhalos with the number of subhalo candidate sources in 3FGL, and derive upper limits on the WIMP annihilation cross-section as a function of the particle mass. If a dark matter interpretation could be excluded for all 3FGL sources, our constraints would be competitive with those found by indirect searches using other targets, such as known Milky Way satellite galaxies.« less

A Probabilistic Analysis of the Fermi Paradox

NASA Astrophysics Data System (ADS)

Solomonides, Evan; Terzian, Yervant

2016-06-01

The Fermi paradox uses an appeal to the mediocrity principle to make it seem counterintuitive that humanity has not been contacted by extraterrestrial intelligence. A numerical, statistical analysis was conducted to determine whether this apparent loneliness is, in fact, unexpected. An inequality was derived to relate the frequency of life arising and developing technology on a suitable planet in the galaxy; the average length of time since the first broadcast of such a civilization; and a constant term. An analysis of the sphere reached thus far by human communication was also conducted, considering our local neighborhood and planets of particular interest. These analyses both conclude that the Fermi paradox is not, in fact, unexpected. By the mediocrity principle and numerical modeling, it is actually unlikely that the Earth would have been reached by extraterrestrial communication at this point. We predict that under 1% of the galaxy has been reached at all thus far, and we do not anticipate to be reached until approximately 50% of stars/planets have been reached. We offer a prediction that we should not expect this until at least 1,500 years in the future. Thus the Fermi paradox is not a shocking observation- or lack thereof- and humanity may very well be contacted within our species’ lifespan (we can begin to expect to be contacted 1,500 years in the future).

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H -TaS2

NASA Astrophysics Data System (ADS)

Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

2017-09-01

We report an in-depth angle-resolved photoemission spectroscopy study on 2 H -TaS2 , a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2 H -TaSe2 and 2 H -NbSe2 , the energy gap (ΔCDW) of 2 H -TaS2 is localized along the K -centered Fermi surface barrels and is particle-hole asymmetric. The persistence of ΔCDW even at temperatures higher than the CDW transition temperature TCDW in 2 H -TaS2 , reflects the similar pseudogap behavior observed previously in 2 H -TaSe2 and 2 H -NbSe2 . However, in sharp contrast to 2 H -NbSe2 , where ΔCDW is nonzero only in the vicinity of a few "hot spots" on the inner K -centered Fermi surface barrels, ΔCDW in 2 H -TaS2 is nonzero along the entirety of both K -centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of ΔCDW between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

NASA Astrophysics Data System (ADS)

Basire, Marie; Mouhat, Félix; Fraux, Guillaume; Bordage, Amélie; Hazemann, Jean-Louis; Louvel, Marion; Spezia, Riccardo; Bonella, Sara; Vuilleumier, Rodolphe

2017-04-01

Vibrational spectroscopy is a fundamental tool to investigate local atomic arrangements and the effect of the environment, provided that the spectral features can be correctly assigned. This can be challenging in experiments and simulations when double peaks are present because they can have different origins. Fermi dyads are a common class of such doublets, stemming from the resonance of the fundamental excitation of a mode with the overtone of another. We present a new, efficient approach to unambiguously characterize Fermi resonances in density functional theory (DFT) based simulations of condensed phase systems. With it, the spectral features can be assigned and the two resonating modes identified. We also show how data from DFT simulations employing classical nuclear dynamics can be post-processed and combined with a perturbative quantum treatment at a finite temperature to include analytically thermal quantum nuclear effects. The inclusion of these effects is crucial to correct some of the qualitative failures of the Newtonian dynamics simulations at a low temperature such as, in particular, the behavior of the frequency splitting of the Fermi dyad. We show, by comparing with experimental data for the paradigmatic case of supercritical CO2, that these thermal quantum effects can be substantial even at ambient conditions and that our scheme provides an accurate and computationally convenient approach to account for them.

Superconductivity in an electron band just above the Fermi level: possible route to BCS-BEC superconductivity.

PubMed

Okazaki, K; Ito, Y; Ota, Y; Kotani, Y; Shimojima, T; Kiss, T; Watanabe, S; Chen, C-T; Niitaka, S; Hanaguri, T; Takagi, H; Chainani, A; Shin, S

2014-02-28

Conventional superconductivity follows Bardeen-Cooper-Schrieffer(BCS) theory of electrons-pairing in momentum-space, while superfluidity is the Bose-Einstein condensation(BEC) of atoms paired in real-space. These properties of solid metals and ultra-cold gases, respectively, are connected by the BCS-BEC crossover. Here we investigate the band dispersions in FeTe(0.6)Se(0.4)(Tc = 14.5 K ~ 1.2 meV) in an accessible range below and above the Fermi level(EF) using ultra-high resolution laser angle-resolved photoemission spectroscopy. We uncover an electron band lying just 0.7 meV (~8 K) above EF at the Γ-point, which shows a sharp superconducting coherence peak with gap formation below Tc. The estimated superconducting gap Δ and Fermi energy [Symbol: see text]F indicate composite superconductivity in an iron-based superconductor, consisting of strong-coupling BEC in the electron band and weak-coupling BCS-like superconductivity in the hole band. The study identifies the possible route to BCS-BEC superconductivity.

Starting points for the study of non-Fermi liquid-like properties of FeCrAs

NASA Astrophysics Data System (ADS)

O'Brien, Patrick James

FeCrAs exhibits non-Fermi liquid-like behavior because of its odd combination of thermodynamic, transport, and magnetic properties. In particular, the resistivity of FeCrAs is not characteristic of a metal or an insulator and so remains a mystery. In this thesis, we seek a model to describe its properties. In FeCrAs, local moments reside on the Cr sites, and there is some conduction. We study the simplest possible model on the kagome lattice that features local moments and itinerant electrons, the kagome Kondo Lattice Model. We present the phase diagram of this model, which features a host of complex spin orders, one of which is the √3 x √3, the experimentally observed magnetic ground state in FeCrAs. The kagome Kondo Lattice Model, having one itinerant d-orbital band on the kagome lattice, does not fully capture the microscopic physics of FeCrAs. The kagome Kondo Lattice Model also will not de- scribe the mutilation of the Fermi surface. To investigate the microscopic properties, we calculated LDA and LDA+U results. These results and GGA results from another group all exhibit high d-orbital density of states at the Fermi energy as well as low p-orbital density of states at the Fermi energy. The DFT results motivated us to construct a model based on the chemistry and full geometry of the FeCrAs crystal. The model we construct is an effective hopping model consisting of only d-orbital operators that we call the Optimal Overlap Hopping Model (OOHM). We calculate the band structure that results from the OOHM, and this band structure can be compared to ARPES measurements. As an example of how one can use the OOHM, we calculate a dynamic spin structure factor from within the OOHM, and we compare it to neutron scattering data. We consider both the OOHM and the Kondo Lattice Model on the kagome lattice as starting points from which we can launch studies of FeCrAs, and we present the existing theories for FeCrAs on a metallicity spectrum to illustrate the various perspectives from which FeCrAs is studied.

Cinema, Fermi problems and general education

NASA Astrophysics Data System (ADS)

Efthimiou, C. J.; Llewellyn, R. A.

2007-05-01

During the past few years the authors have developed a new approach to the teaching of physical science, a general education course typically found in the curricula of nearly every college and university. This approach, called Physics in Films (Efthimiou and Llewellyn 2006 Phys. Teach. 44 28-33), uses scenes from popular films to illustrate physical principles and has excited student interest and improved student performance. A similar approach at the senior/high-school level, nicknamed Hollywood Physics, has been developed by Chandler (2006 Phys. Teach. 44 290-2 2002 Phys. Teach. 40 420-4). The two approaches may be considered complementary as they target different student groups. The analyses of many of the scenes in Physics in Films are a direct application of Fermi calculations—estimates and approximations designed to make solutions of complex and seemingly intractable problems understandable to the student non-specialist. The intent of this paper is to provide instructors with examples they can use to develop skill in recognizing Fermi problems and making Fermi calculations in their own courses.

Pseudogap Regime of a Two-dimensional Uniform Fermi Gas

NASA Astrophysics Data System (ADS)

Matsumoto, Morio; Hanai, Ryo; Inotani, Daisuke; Ohashi, Yoji

2018-01-01

We investigate pseudogap phenomena in a two-dimensional Fermi gas. Including pairing fluctuations within a self-consistent T-matrix approximation, we determine the pseudogap temperature T* below which a dip appears in the density of states ρ(ω) around the Fermi level. Evaluating T*, we identify the pseudogap region in the phase diagram of this system. We find that, while the observed Berezinskii-Kosterlitz-Thouless (BKT) transition temperature TBKTexp in a 6Li Fermi gas is in the pseudogap regime, the detailed pseudogap structure in ρ(ω) at TBKTexp still differs from a fully-gapped one, indicating the importance of amplitude fluctuations in the Cooper channel there. Since the observed TBKTexp in the weak-coupling regime cannot be explained by the recent BKT theory which only includes phase fluctuations, our results may provide a hint about how to improve this BKT theory. Although ρ(ω) has not been measured in this system, we show that the assessment of our results is still possible by using the observable Tan's contact.

Fano-shaped impurity spectral density, electric-field-induced in-gap state, and local magnetic moment of an adatom on trilayer graphene

NASA Astrophysics Data System (ADS)

Zhang, Zu-Quan; Li, Shuai; Lü, Jing-Tao; Gao, Jin-Hua

2017-08-01

Recently, the existence of local magnetic moment in a hydrogen adatom on graphene was confirmed experimentally [González-Herrero et al., Science 352, 437 (2016), 10.1126/science.aad8038]. Inspired by this breakthrough, we theoretically investigate the top-site adatom on trilayer graphene (TLG) by solving the Anderson impurity model via self-consistent mean field method. The influence of the stacking order, the adsorption site, and external electric field are carefully considered. We find that, due to its unique electronic structure, the situation of TLG is drastically different from that of the monolayer graphene. First, the adatom on rhombohedral stacked TLG (r-TLG) can have a Fano-shaped impurity spectral density, instead of the normal Lorentzian-like one, when the impurity level is around the Fermi level. Second, the impurity level of the adatom on r-TLG can be tuned into an in-gap state by an external electric field, which strongly depends on the direction of the applied electric field and can significantly affect the local magnetic moment formation. Finally, we systematically calculate the impurity magnetic phase diagrams, considering various stacking orders, adsorption sites, doping, and electric field. We show that, because of the in-gap state, the impurity magnetic phase of r-TLG will obviously depend on the direction of the applied electric field as well. All our theoretical results can be readily tested in experiment, and may give a comprehensive understanding about the local magnetic moment of an adatom on TLG.

Poole-Frenkel effect on electrical characterization of Al-doped ZnO films deposited on p-type GaN

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

Huang, Bohr-Ran; Liao, Chung-Chi; Ke, Wen-Cheng, E-mail: wcke@saturn.yzu.edu.tw

2014-03-21

This paper presents the electrical properties of Al-doped ZnO (AZO) films directly grown on two types of p-type GaN thin films. The low-pressure p-GaN thin films (LP-p-GaN) exhibited structural properties of high-density edge-type threading dislocations (TDs) and compensated defects (i.e., nitrogen vacancy). Compared with high-pressure p-GaN thin films (HP-p-GaN), X-ray photoemission spectroscopy of Ga 3d core levels indicated that the surface Fermi-level shifted toward the higher binding-energy side by approximately 0.7 eV. The high-density edge-type TDs and compensated defects enabled surface Fermi-level shifting above the intrinsic Fermi-level, causing the surface of LP-p-GaN thin films to invert to n-type semiconductor. A highlymore » nonlinear increase in leakage current regarding reverse-bias voltage was observed for AZO/LP-p-GaN. The theoretical fits for the reverse-bias voltage region indicated that the field-assisted thermal ionization of carriers from defect associated traps, which is known as the Poole-Frenkel effect, dominated the I-V behavior of AZO/LP-p-GaN. The fitting result estimated the trap energy level at 0.62 eV below the conduction band edge. In addition, the optical band gap increased from 3.50 eV for as-deposited AZO films to 3.62 eV for 300 °C annealed AZO films because of the increased carrier concentration. The increasing Fermi-level of the 300 °C annealed AZO films enabled the carrier transport to move across the interface into the LP-p-GaN thin films without any thermal activated energy. Thus, the Ohmic behavior of AZO contact can be achieved directly on the low-pressure p-GaN films at room temperature.« less

Poole-Frenkel effect on electrical characterization of Al-doped ZnO films deposited on p-type GaN

NASA Astrophysics Data System (ADS)

Huang, Bohr-Ran; Liao, Chung-Chi; Ke, Wen-Cheng; Chang, Yuan-Ching; Huang, Hao-Ping; Chen, Nai-Chuan

2014-03-01

This paper presents the electrical properties of Al-doped ZnO (AZO) films directly grown on two types of p-type GaN thin films. The low-pressure p-GaN thin films (LP-p-GaN) exhibited structural properties of high-density edge-type threading dislocations (TDs) and compensated defects (i.e., nitrogen vacancy). Compared with high-pressure p-GaN thin films (HP-p-GaN), X-ray photoemission spectroscopy of Ga 3d core levels indicated that the surface Fermi-level shifted toward the higher binding-energy side by approximately 0.7 eV. The high-density edge-type TDs and compensated defects enabled surface Fermi-level shifting above the intrinsic Fermi-level, causing the surface of LP-p-GaN thin films to invert to n-type semiconductor. A highly nonlinear increase in leakage current regarding reverse-bias voltage was observed for AZO/LP-p-GaN. The theoretical fits for the reverse-bias voltage region indicated that the field-assisted thermal ionization of carriers from defect associated traps, which is known as the Poole-Frenkel effect, dominated the I-V behavior of AZO/LP-p-GaN. The fitting result estimated the trap energy level at 0.62 eV below the conduction band edge. In addition, the optical band gap increased from 3.50 eV for as-deposited AZO films to 3.62 eV for 300 °C annealed AZO films because of the increased carrier concentration. The increasing Fermi-level of the 300 °C annealed AZO films enabled the carrier transport to move across the interface into the LP-p-GaN thin films without any thermal activated energy. Thus, the Ohmic behavior of AZO contact can be achieved directly on the low-pressure p-GaN films at room temperature.

Fermi Level Manipulation through Native Doping in the Topological Insulator Bi2Se3.

PubMed

Walsh, Lee A; Green, Avery J; Addou, Rafik; Nolting, Westly; Cormier, Christopher R; Barton, Adam T; Mowll, Tyler R; Yue, Ruoyu; Lu, Ning; Kim, Jiyoung; Kim, Moon J; LaBella, Vincent P; Ventrice, Carl A; McDonnell, Stephen; Vandenberghe, William G; Wallace, Robert M; Diebold, Alain; Hinkle, Christopher L

2018-06-08

The topologically protected surface states of three-dimensional (3D) topological insulators have the potential to be transformative for high-performance logic and memory devices by exploiting their specific properties such as spin-polarized current transport and defect tolerance due to suppressed backscattering. However, topological insulator based devices have been underwhelming to date primarily due to the presence of parasitic issues. An important example is the challenge of suppressing bulk conduction in Bi 2 Se 3 and achieving Fermi levels ( E F ) that reside in between the bulk valence and conduction bands so that the topologically protected surface states dominate the transport. The overwhelming majority of the Bi 2 Se 3 studies in the literature report strongly n-type materials with E F in the bulk conduction band due to the presence of a high concentration of selenium vacancies. In contrast, here we report the growth of near-intrinsic Bi 2 Se 3 with a minimal Se vacancy concentration providing a Fermi level near midgap with no extrinsic counter-doping required. We also demonstrate the crucial ability to tune E F from below midgap into the upper half of the gap near the conduction band edge by controlling the Se vacancy concentration using post-growth anneals. Additionally, we demonstrate the ability to maintain this Fermi level control following the careful, low-temperature removal of a protective Se cap, which allows samples to be transported in air for device fabrication. Thus, we provide detailed guidance for E F control that will finally enable researchers to fabricate high-performance devices that take advantage of transport through the topologically protected surface states of Bi 2 Se 3 .

Redox Potentials of Colloidal n-Type ZnO Nanocrystals: Effects of Confinement, Electron Density, and Fermi-Level Pinning by Aldehyde Hydrogenation.

PubMed

Carroll, Gerard M; Schimpf, Alina M; Tsui, Emily Y; Gamelin, Daniel R

2015-09-02

Electronically doped colloidal semiconductor nanocrystals offer valuable opportunities to probe the new physical and chemical properties imparted by their excess charge carriers. Photodoping is a powerful approach to introducing and controlling free carrier densities within free-standing colloidal semiconductor nanocrystals. Photoreduced (n-type) colloidal ZnO nanocrystals possessing delocalized conduction-band (CB) electrons can be formed by photochemical oxidation of EtOH. Previous studies of this chemistry have demonstrated photochemical electron accumulation, in some cases reaching as many as >100 electrons per ZnO nanocrystal, but in every case examined to date this chemistry maximizes at a well-defined average electron density of ⟨Nmax⟩ ≈ (1.4 ± 0.4) × 10(20) cm(-3). The origins of this maximum have never been identified. Here, we use a solvated redox indicator for in situ determination of reduced ZnO nanocrystal redox potentials. The Fermi levels of various photodoped ZnO nanocrystals possessing on average just one excess CB electron show quantum-confinement effects, as expected, but are >600 meV lower than those of the same ZnO nanocrystals reduced chemically using Cp*2Co, reflecting important differences between their charge-compensating cations. Upon photochemical electron accumulation, the Fermi levels become independent of nanocrystal volume at ⟨N⟩ above ∼2 × 10(19) cm(-3), and maximize at ⟨Nmax⟩ ≈ (1.6 ± 0.3) × 10(20) cm(-3). This maximum is proposed to arise from Fermi-level pinning by the two-electron/two-proton hydrogenation of acetaldehyde, which reverses the EtOH photooxidation reaction.

Large-scale behaviour of local and entanglement entropy of the free Fermi gas at any temperature

NASA Astrophysics Data System (ADS)

Leschke, Hajo; Sobolev, Alexander V.; Spitzer, Wolfgang

2016-07-01

The leading asymptotic large-scale behaviour of the spatially bipartite entanglement entropy (EE) of the free Fermi gas infinitely extended in multidimensional Euclidean space at zero absolute temperature, T = 0, is by now well understood. Here, we present and discuss the first rigorous results for the corresponding EE of thermal equilibrium states at T> 0. The leading large-scale term of this thermal EE turns out to be twice the first-order finite-size correction to the infinite-volume thermal entropy (density). Not surprisingly, this correction is just the thermal entropy on the interface of the bipartition. However, it is given by a rather complicated integral derived from a semiclassical trace formula for a certain operator on the underlying one-particle Hilbert space. But in the zero-temperature limit T\\downarrow 0, the leading large-scale term of the thermal EE considerably simplifies and displays a {ln}(1/T)-singularity which one may identify with the known logarithmic enhancement at T = 0 of the so-called area-law scaling. birthday of the ideal Fermi gas.

A Method for Localizing Energy Dissipation in Blazars Using Fermi Variability

NASA Technical Reports Server (NTRS)

Dotson, Amanda; Georganopoulos, Markos; Kazanas, Demosthenes; Perlman, Eric S.

2013-01-01

The distance of the Fermi-detected blazar gamma-ray emission site from the supermassive black hole is a matter of active debate. Here we present a method for testing if the GeV emission of powerful blazars is produced within the sub-pc scale broad line region (BLR) or farther out in the pc-scale molecular torus (MT) environment. If the GeV emission takes place within the BLR, the inverse Compton (IC) scattering of the BLR ultraviolet (UV) seed photons that produces the gamma-rays takes place at the onset of the Klein-Nishina regime. This causes the electron cooling time to become practically energy independent and the variation of the gamma-ray emission to be almost achromatic. If on the other hand the -ray emission is produced farther out in the pc-scale MT, the IC scattering of the infrared (IR) MT seed photons that produces the gamma-rays takes place in the Thomson regime, resulting to energy-dependent electron cooling times, manifested as faster cooling times for higher Fermi energies. We demonstrate these characteristics and discuss the applicability and limitations of our method.

New Results on High Energy Cosmic Ray Electrons Observed with Fermi LAT and Their Implications on the Origin of Cosmic Rays

NASA Technical Reports Server (NTRS)

Moiseev, Alexander

2010-01-01

The Large Area Telescope on-board the Fermi Gamma-Ray Space Telescope has collected more than 10 million cosmic ray electrons with energy above 7 GeV since its science operation on orbit. High energy electrons rapidly lose their energy by synchrotron radiation on Galactic magnetic fields and by inverse Compton scattering on the interstellar radiation field. The typical distance over which a 1 TeV electron loses half its total energy is estimated to be 300-400 pc.This makes them a unique tool for probing nearby Galactic space. Observed spectrum has a harder spectral index than was previously reported and suggests the presence of nearby sources of high energy electrons. One of viable candidates are nearby pulsars, possibly some of recently discovered by Fermi. At the same time the dark matter origin of such sources cannot be ruled out. I will also report our current upper limits on cosmic ray electrons anisotropy which helps to set constraints on their local sources.

An effective 2-band eg model of sulfur hydride H3S for high-Tc superconductivity

NASA Astrophysics Data System (ADS)

Nishiguchi, Kazutaka; Teranishi, Shingo; Miyao, Satoaki; Matsushita, Goh; Kusakabe, Koichi

To understand high transition temperature (Tc) superconductivity in sulfur hydride H3S, we propose an effective 2-band model having the eg symmetry as the minimal model for H3S. Two eg orbitals centered on a sulfur S atom are chosen for the smallest representation of relevant bands with the van-Hove singularity around the Fermi levels except for the Γ-centered small hole pockets by the sulfur 3 p orbitals. By using the maximally localized Wannier functions, we derive the minimal effective model preserving the body-centered cubic (bcc) crystal symmetry of the H3S phase having the highest Tc ( 203 K under pressures) among the other polymorphs of H3S.

Control of interlayer physics in 2H transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Wang, Kuang-Chung; Stanev, Teodor K.; Valencia, Daniel; Charles, James; Henning, Alex; Sangwan, Vinod K.; Lahiri, Aritra; Mejia, Daniel; Sarangapani, Prasad; Povolotskyi, Michael; Afzalian, Aryan; Maassen, Jesse; Klimeck, Gerhard; Hersam, Mark C.; Lauhon, Lincoln J.; Stern, Nathaniel P.; Kubis, Tillmann

2017-12-01

It is assessed in detail both experimentally and theoretically how the interlayer coupling of transition metal dichalcogenides controls the electronic properties of the respective devices. Gated transition metal dichalcogenide structures show electrons and holes to either localize in individual monolayers, or delocalize beyond multiple layers—depending on the balance between spin-orbit interaction and interlayer hopping. This balance depends on the layer thickness, momentum space symmetry points, and applied gate fields. The design range of this balance, the effective Fermi levels, and all relevant effective masses is analyzed in great detail. A good quantitative agreement of predictions and measurements of the quantum confined Stark effect in gated MoS2 systems unveils intralayer excitons as the major source for the observed photoluminescence.

Electron momentum density and band structure calculations of α- and β-GeTe

NASA Astrophysics Data System (ADS)

Vadkhiya, Laxman; Arora, Gunjan; Rathor, Ashish; Ahuja, B. L.

2011-12-01

We have measured isotropic experimental Compton profile of α-GeTe by employing high energy (662 keV) γ-radiation from a 137Cs isotope. To compare our experiment, we have also computed energy bands, density of states, electron momentum densities and Compton profiles of α- and β-phases of GeTe using the linear combination of atomic orbitals method. The electron momentum density is found to play a major role in understanding the topology of bands in the vicinity of the Fermi level. It is seen that the density functional theory (DFT) with generalised gradient approximation is relatively in better agreement with the experiment than the local density approximation and hybrid Hartree-Fock/DFT.

Spectroscopic determination of surface geometry: Ti(0001)-H(1×1)

NASA Astrophysics Data System (ADS)

Feibelman, Peter J.; Hamann, D. R.

1980-02-01

The electronic structure of a Ti(0001) film covered by a monolayer of H is shown to depend strongly on the location of the H atom in the surface unit cell. Best agreement with experiment is found with the H's in three-fold sites, 0.8 a.u. outside the outer Ti layer. In this geometry the H atoms "heal" the surface-the clean Ti(0001) surface state near the Fermi level is removed and the outer layer d-like local density of states (LDOS) is quite similar to that of the interior. Additionally, the calculated work function is 4.0 eV and an H-derived peak in the calculated LDOS appears 5 eV below EF, in agreement with photoemission measurements.

Symmetry lowering of pentacene molecular states interacting with a Cu surface

NASA Astrophysics Data System (ADS)

Baldacchini, Chiara; Mariani, Carlo; Betti, Maria Grazia; Vobornik, Ivana; Fujii, Jun; Annese, Emilia; Rossi, Giorgio; Ferretti, Andrea; Calzolari, Arrigo; di Felice, Rosa; Ruini, Alice; Molinari, Elisa

2007-12-01

Pentacene adsorbed on the Cu(119) vicinal surface forms long-range ordered chain structures. Photoemission spectroscopy measurements and ab initio density functional theory simulations provide consistent evidences that pentacene molecular orbitals mix with the copper bands, giving rise to interaction states localized at the interface. Angular-resolved and polarization dependent photoemission spectroscopy shows that most of the pentacene derived intensity is strongly dichroic. The symmetry of the molecular states of the free pentacene molecules is reduced upon adsorption on Cu(119), as a consequence of the molecule-metal interaction. Theoretical results show a redistribution of the charge density in π molecular states close to the Fermi level, consistent with the photoemission intensities (density of states) and polarization dependence (orbital symmetry).

Terahertz wavefront control by tunable metasurface made of graphene ribbons

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

Yatooshi, Takumi; Ishikawa, Atsushi, E-mail: a-ishikawa@okayama-u.ac.jp; Tsuruta, Kenji

2015-08-03

We propose a tunable metasurface consisting of an array of graphene ribbons on a silver mirror with a SiO{sub 2} gap layer to control reflected wavefront at terahertz frequencies. The graphene ribbons exhibit localized plasmon resonances depending on their Fermi levels to introduce abrupt phase shifts along the metasurface. With interference of the Fabry-Perot resonances in the SiO{sub 2} layer, phase shift through the system is largely accumulated, covering the 0-to-2π range for full control of the wavefront. Numerical simulations prove that wide-angle beam steering up to 53° with a high reflection efficiency of 60% is achieved at 5 THzmore » within a switching time shorter than 0.6 ps.« less

Electronic structure of charge- and spin-controlled Sr(1-(x+y))La(x+y)Ti(1-x)Cr(x)O3.

PubMed

Iwasawa, H; Yamakawa, K; Saitoh, T; Inaba, J; Katsufuji, T; Higashiguchi, M; Shimada, K; Namatame, H; Taniguchi, M

2006-02-17

We present the electronic structure of Sr(1-(x+y))La(x+y)Ti(1-x)Cr(x)O3 investigated by high-resolution photoemission spectroscopy. In the vicinity of the Fermi level, it was found that the electronic structure was composed of a Cr 3d local state with the t(2g)3 configuration and a Ti 3d itinerant state. The energy levels of these Cr and Ti 3d states are well interpreted by the difference of the charge-transfer energy of both ions. The spectral weight of the Cr 3d state is completely proportional to the spin concentration x irrespective of the carrier concentration y, indicating that the spin density can be controlled by x as desired. In contrast, the spectral weight of the Ti 3d state is not proportional to y, depending on the amount of Cr doping.

Strange metal from local quantum chaos

NASA Astrophysics Data System (ADS)

Ben-Zion, Daniel; McGreevy, John

2018-04-01

How to make a model of a non-Fermi-liquid metal with efficient current dissipation is a long-standing problem. Results from holographic duality suggest a framework where local critical fermionic degrees of freedom provide both a source of decoherence for the Landau quasiparticle, and a sink for its momentum. This leads us to study a Kondo lattice type model with SYK models in place of the spin impurities. We find evidence for a stable phase at intermediate couplings.

The multiple Coulomb scattering of very heavy charged particles.

PubMed

Wong, M; Schimmerling, W; Phillips, M H; Ludewigt, B A; Landis, D A; Walton, J T; Curtis, S B

1990-01-01

An experiment was performed at the Lawrence Berkeley Laboratory BEVALAC to measure the multiple Coulomb scattering of 650-MeV/A uranium nuclei in 0.19 radiation lengths of a Cu target. Differential distributions in the projected multiple scattering angle were measured in the vertical and horizontal planes using silicon position-sensitive detectors to determine particle trajectories before and after target scattering. The results were compared with the multiple Coulomb scattering theories of Fermi and Molière, and with a modification of the Fermi theory, using a Monte Carlo simulation. These theories were in excellent agreement with experiment at the 2 sigma level. The best quantitative agreement is obtained with the Gaussian distribution predicted by the modified Fermi theory.

Is BaCr 2 As 2 symmetrical to BaFe 2 As 2 with respect to half 3 d shell filling?

DOE PAGES

Richard, P.; van Roekeghem, A.; Lv, B. Q.; ...

2017-05-25

We have performed an angle-resolved photoemission spectroscopy study of BaCr 2As 2, which has the same crystal structure as BaFe2As2, a parent compound BaFe 2As 2 of Fe-based superconductors. We determine the Fermi surface of this material and its band dispersion down to 5 eV below the Fermi level. Very moderate band renormalization (1.35) is observed for only two bands. We attribute this small renormalization to enhanced direct exchange as compared to Fe in BaFe 2As 2, and to a larger contribution of the eg orbitals in the composition of the bands forming the Fermi surface.

Electronic structure basis for the extraordinary magnetoresistance in WTe 2

DOE PAGES

Pletikosić, I.; Ali, Mazhar N.; Fedorov, A. V.; ...

2014-11-19

The electronic structure basis of the extremely large magnetoresistance in layered non-magnetic tungsten ditelluride has been investigated by angle-resolved photoelectron spectroscopy. Hole and electron pockets of approximately the same size were found at the Fermi level, suggesting that carrier compensation should be considered the primary source of the effect. The material exhibits a highly anisotropic, quasi one-dimensional Fermi surface from which the pronounced anisotropy of the magnetoresistance follows. As a result, a change in the Fermi surface with temperature was found and a high-density-of-states band that may take over conduction at higher temperatures and cause the observed turn-on behavior ofmore » the magnetoresistance in WTe₂ was identified.« less

Quantum oscillations in nodal line systems

NASA Astrophysics Data System (ADS)

Yang, Hui; Moessner, Roderich; Lim, Lih-King

2018-04-01

We study signatures of magnetic quantum oscillations in three-dimensional nodal line semimetals at zero temperature. The extended nature of the degenerate bands can result in a Fermi surface geometry with topological genus one, as well as a Fermi surface of electron and hole pockets encapsulating the nodal line. Moreover, the underlying two-band model to describe a nodal line is not unique, in that there are two classes of Hamiltonian with distinct band topology giving rise to the same Fermi-surface geometry. After identifying the extremal cyclotron orbits in various magnetic field directions, we study their concomitant Landau levels and resulting quantum oscillation signatures. By Landau-fan-diagram analyses, we extract the nontrivial π Berry phase signature for extremal orbits linking the nodal line.

Observation of scale invariance and conformal symmetry breaking in expanding Fermi gases

NASA Astrophysics Data System (ADS)

Elliott, Ethan; Joseph, James; Thomas, John

2014-05-01

We precisely test scale invariance and examine local thermal equilibrium in the hydrodynamic expansion of a Fermi gas of atoms as a function of interaction strength. After release from an anisotropic optical trap, we observe that a resonantly interacting gas obeys scale-invariant hydrodynamics, where the mean square cloud size = expands ballistically (like a noninteracting gas) and the energy-averaged bulk viscosity is consistent with zero, 0 . 00 (0 . 04) ℏ n , with n the density. In contrast, the aspect ratios of the cloud exhibit anisotropic ``elliptic'' flow with an energy-dependent shear viscosity. Tuning away from resonance, we observe conformal symmetry breaking, where deviates from ballistic flow. NSF, DOE, ARO, AFO.

Interacting Electrons in Graphene: Fermi Velocity Renormalization and Optical Response

NASA Astrophysics Data System (ADS)

Stauber, T.; Parida, P.; Trushin, M.; Ulybyshev, M. V.; Boyda, D. L.; Schliemann, J.

2017-06-01

We have developed a Hartree-Fock theory for electrons on a honeycomb lattice aiming to solve a long-standing problem of the Fermi velocity renormalization in graphene. Our model employs no fitting parameters (like an unknown band cutoff) but relies on a topological invariant (crystal structure function) that makes the Hartree-Fock sublattice spinor independent of the electron-electron interaction. Agreement with the experimental data is obtained assuming static self-screening including local field effects. As an application of the model, we derive an explicit expression for the optical conductivity and discuss the renormalization of the Drude weight. The optical conductivity is also obtained via precise quantum Monte Carlo calculations which compares well to our mean-field approach.

Measurement of the Cosmic Ray e+ plus e- Spectrum from 20 GeV to 1 TeV with the Fermi Large Area Telescope

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

Abdo, Aous A.; /Naval Research Lab, Wash., D.C.; Ackermann, M.

Designed as a high-sensitivity gamma-ray observatory, the Fermi Large Area Telescope is also an electron detector with a large acceptance exceeding 2 m{sup 2}sr at 300 GeV. Building on the gamma-ray analysis, we have developed an efficient electron detection strategy which provides sufficient background rejection for measurement of the steeply-falling electron spectrum up to 1 TeV. Our high precision data show that the electron spectrum falls with energy as E{sup -3.0} and does not exhibit prominent spectral features. Interpretations in terms of a conventional diffusive model as well as a potential local extra component are briefly discussed.

Search for Gamma-Ray Emission from Local Primordial Black Holes with the Fermi Large Area Telescope

NASA Astrophysics Data System (ADS)

Ackermann, M.; Atwood, W. B.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bellazzini, R.; Berenji, B.; Bissaldi, E.; Blandford, R. D.; Bloom, E. D.; Bonino, R.; Bottacini, E.; Bregeon, J.; Bruel, P.; Buehler, R.; Cameron, R. A.; Caputo, R.; Caraveo, P. A.; Cavazzuti, E.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiaro, G.; Ciprini, S.; Cohen-Tanugi, J.; Conrad, J.; Costantin, D.; D’Ammando, F.; de Palma, F.; Digel, S. W.; Di Lalla, N.; Di Mauro, M.; Di Venere, L.; Favuzzi, C.; Fegan, S. J.; Focke, W. B.; Franckowiak, A.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Giglietto, N.; Giordano, F.; Giroletti, M.; Green, D.; Grenier, I. A.; Guillemot, L.; Guiriec, S.; Horan, D.; Jóhannesson, G.; Johnson, C.; Kensei, S.; Kocevski, D.; Kuss, M.; Larsson, S.; Latronico, L.; Li, J.; Longo, F.; Loparco, F.; Lovellette, M. N.; Lubrano, P.; Magill, J. D.; Maldera, S.; Malyshev, D.; Manfreda, A.; Mazziotta, M. N.; McEnery, J. E.; Meyer, M.; Michelson, P. F.; Mitthumsiri, W.; Mizuno, T.; Monzani, M. E.; Moretti, E.; Morselli, A.; Moskalenko, I. V.; Negro, M.; Nuss, E.; Ojha, R.; Omodei, N.; Orienti, M.; Orlando, E.; Ormes, J. F.; Palatiello, M.; Paliya, V. S.; Paneque, D.; Persic, M.; Pesce-Rollins, M.; Piron, F.; Principe, G.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Reimer, O.; Ritz, S.; Sánchez-Conde, M.; Sgrò, C.; Siskind, E. J.; Spada, F.; Spandre, G.; Spinelli, P.; Suson, D. J.; Tajima, H.; Thayer, J. G.; Thayer, J. B.; Torres, D. F.; Tosti, G.; Troja, E.; Valverde, J.; Vianello, G.; Wood, K.; Wood, M.; Zaharijas, G.

2018-04-01

Black holes with masses below approximately 1015 g are expected to emit gamma-rays with energies above a few tens of MeV, which can be detected by the Fermi Large Area Telescope (LAT). Although black holes with these masses cannot be formed as a result of stellar evolution, they may have formed in the early universe and are therefore called primordial black holes (PBHs). Previous searches for PBHs have focused on either short-timescale bursts or the contribution of PBHs to the isotropic gamma-ray emission. We show that, in cases of individual PBHs, the Fermi-LAT is most sensitive to PBHs with temperatures above approximately 16 GeV and masses 6 × 1011 g, which it can detect out to a distance of about 0.03 pc. These PBHs have a remaining lifetime of months to years at the start of the Fermi mission. They would appear as potentially moving point sources with gamma-ray emission that become spectrally harder and brighter with time until the PBH completely evaporates. In this paper, we develop a new algorithm to detect the proper motion of gamma-ray point sources, and apply it to 318 unassociated point sources at a high galactic latitude in the third Fermi-LAT source catalog. None of the unassociated point sources with spectra consistent with PBH evaporation show significant proper motion. Using the nondetection of PBH candidates, we derive a 99% confidence limit on the PBH evaporation rate in the vicinity of Earth, {\\dot{ρ }}PBH}< 7.2× {10}3 {pc}}-3 {yr}}-1. This limit is similar to the limits obtained with ground-based gamma-ray observatories.

Search for Gamma-Ray Emission from Local Primordial Black Holes with the Fermi Large Area Telescope

DOE PAGES

Ackermann, M.; Atwood, W. B.; Baldini, L.; ...

2018-04-10

Black holes with masses below approximately 10 15 g are expected to emit gamma-rays with energies above a few tens of MeV, which can be detected by the Fermi Large Area Telescope (LAT). Although black holes with these masses cannot be formed as a result of stellar evolution, they may have formed in the early universe and are therefore called primordial black holes (PBHs). Previous searches for PBHs have focused on either short-timescale bursts or the contribution of PBHs to the isotropic gamma-ray emission. We show that, in cases of individual PBHs, the Fermi-LAT is most sensitive to PBHs with temperatures above approximately 16 GeV and masses 6 × 10 11 g, which it can detect out to a distance of about 0.03 pc. These PBHs have a remaining lifetime of months to years at the start of the Fermi mission. They would appear as potentially moving point sources with gamma-ray emission that become spectrally harder and brighter with time until the PBH completely evaporates. In this paper, we develop a new algorithm to detect the proper motion of gamma-ray point sources, and apply it to 318 unassociated point sources at a high galactic latitude in the third Fermi-LAT source catalog. None of the unassociated point sources with spectra consistent with PBH evaporation show significant proper motion. Finally, using the nondetection of PBH candidates, we derive a 99% confidence limit on the PBH evaporation rate in the vicinity of Earth,more » $${\\dot{\\rho }}_{\\mathrm{PBH}}\\lt 7.2\\times {10}^{3}\\ {\\mathrm{pc}}^{-3}\\,{\\mathrm{yr}}^{-1}$$. This limit is similar to the limits obtained with ground-based gamma-ray observatories.« less

Search for Gamma-Ray Emission from Local Primordial Black Holes with the Fermi Large Area Telescope

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

Ackermann, M.; Atwood, W. B.; Baldini, L.

Black holes with masses below approximately 10 15 g are expected to emit gamma-rays with energies above a few tens of MeV, which can be detected by the Fermi Large Area Telescope (LAT). Although black holes with these masses cannot be formed as a result of stellar evolution, they may have formed in the early universe and are therefore called primordial black holes (PBHs). Previous searches for PBHs have focused on either short-timescale bursts or the contribution of PBHs to the isotropic gamma-ray emission. We show that, in cases of individual PBHs, the Fermi-LAT is most sensitive to PBHs with temperatures above approximately 16 GeV and masses 6 × 10 11 g, which it can detect out to a distance of about 0.03 pc. These PBHs have a remaining lifetime of months to years at the start of the Fermi mission. They would appear as potentially moving point sources with gamma-ray emission that become spectrally harder and brighter with time until the PBH completely evaporates. In this paper, we develop a new algorithm to detect the proper motion of gamma-ray point sources, and apply it to 318 unassociated point sources at a high galactic latitude in the third Fermi-LAT source catalog. None of the unassociated point sources with spectra consistent with PBH evaporation show significant proper motion. Finally, using the nondetection of PBH candidates, we derive a 99% confidence limit on the PBH evaporation rate in the vicinity of Earth,more » $${\\dot{\\rho }}_{\\mathrm{PBH}}\\lt 7.2\\times {10}^{3}\\ {\\mathrm{pc}}^{-3}\\,{\\mathrm{yr}}^{-1}$$. This limit is similar to the limits obtained with ground-based gamma-ray observatories.« less

Anisotropies in the diffuse gamma-ray background from dark matter with Fermi LAT: A closer look

DOE PAGES

Cuoco, A.; Sellerholm, A.; Conrad, J.; ...

2011-06-21

We perform a detailed study of the sensitivity to the anisotropies related to dark matter (DM) annihilation in the isotropic gamma-ray background (IGRB) as measured by the Fermi Large Area Telescope ( Fermi LAT). For the first time, we take into account the effects of the Galactic foregrounds and use a realistic representation of the Fermi LAT. We implement an analysis pipeline which simulates Fermi LAT data sets starting from model maps of the Galactic foregrounds, the Fermi-resolved point sources, the extragalactic diffuse emission and the signal from DM annihilation. The effects of the detector are taken into account bymore » convolving the model maps with the Fermi LAT instrumental response. We then use the angular power spectrum to characterize the anisotropy properties of the simulated data and to study the sensitivity to DM. We consider DM anisotropies of extragalactic origin and of Galactic origin (which can be generated through annihilation in the Milky Way substructures) as opposed to a background of anisotropies generated by sources of astrophysical origin, blazars for example. We find that with statistics from 5 yr of observation, Fermi is sensitive to a DM contribution at the level of 1–10 per cent of the measured IGRB depending on the DM mass m χ and annihilation mode. In terms of the thermally averaged cross-section , this corresponds to ~10 –25 cm 3 s –1, i.e. slightly above the typical expectations for a thermal relic, for low values of the DM mass m χ≲ 100 GeV. As a result, the anisotropy method for DM searches has a sensitivity comparable to the usual methods based only on the energy spectrum and thus constitutes an independent and complementary piece of information in the DM puzzle.« less

Electronic structure evolution in doping of fullerene (C{sub 60}) by ultra-thin layer molybdenum trioxide

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

Wang, Chenggong; Wang, Congcong; Kauppi, John

2015-08-28

Ultra-thin layer molybdenum oxide doping of fullerene has been investigated using ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). The highest occupied molecular orbital (HOMO) can be observed directly with UPS. It is observed that the Fermi level position in fullerene is modified by ultra-thin-layer molybdenum oxide doping, and the HOMO onset is shifted to less than 1.3 eV below the Fermi level. The XPS results indicate that charge transfer was observed from the C{sub 60} to MoO{sub x} and Mo{sup 6+} oxides is the basis as hole dopants.

Electronic properties of GeTe and Ag- or Sb-substituted GeTe studied by low-temperature Te 125 NMR

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

Cui, J.; Levin, E. M.; Lee, Y.

We have carried out 125Te nuclear magnetic resonance (NMR) in a wide temperature range of 1.5–300 K to investigate the electronic properties of Ge 50 Te 50, Ag 2 Ge 48Te 50 , and Sb 2 Ge 48 Te 50 from a microscopic point of view. From the temperature dependence of the NMR shift (K) and nuclear spin lattice relaxation rate (1/T 1), we found that two bands contribute to the physical properties of the materials. One band overlaps the Fermi level providing the metallic state where no strong electron correlations are revealed by Korringa analysis. The other band ismore » separated from the Fermi level by an energy gap of E g/k B ~67 K, which gives rise to semiconductorlike properties. First-principles calculation reveals that the metallic band originates from the Ge vacancy while the semiconductorlike band is related to the fine structure of the density of states near the Fermi level. We find low-temperature Te125 NMR data for the materials studied here clearly show that Ag substitution increases hole concentration while Sb substitution decreases it.« less

Electronic properties of GeTe and Ag- or Sb-substituted GeTe studied by low-temperature Te 125 NMR

DOE PAGES

Cui, J.; Levin, E. M.; Lee, Y.; ...

2016-08-18

We have carried out 125Te nuclear magnetic resonance (NMR) in a wide temperature range of 1.5–300 K to investigate the electronic properties of Ge 50 Te 50, Ag 2 Ge 48Te 50 , and Sb 2 Ge 48 Te 50 from a microscopic point of view. From the temperature dependence of the NMR shift (K) and nuclear spin lattice relaxation rate (1/T 1), we found that two bands contribute to the physical properties of the materials. One band overlaps the Fermi level providing the metallic state where no strong electron correlations are revealed by Korringa analysis. The other band ismore » separated from the Fermi level by an energy gap of E g/k B ~67 K, which gives rise to semiconductorlike properties. First-principles calculation reveals that the metallic band originates from the Ge vacancy while the semiconductorlike band is related to the fine structure of the density of states near the Fermi level. We find low-temperature Te125 NMR data for the materials studied here clearly show that Ag substitution increases hole concentration while Sb substitution decreases it.« less

Electronic properties of core-shell nanowire resonant tunneling diodes

PubMed Central

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping. PMID:25288912

Electronic properties of core-shell nanowire resonant tunneling diodes.

PubMed

Zervos, Matthew

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping.

Electronic and structural ground state of heavy alkali metals at high pressure

NASA Astrophysics Data System (ADS)

Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

2015-02-01

Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

Core-protective half-metallicity in trilayer graphene nanoribbons

NASA Astrophysics Data System (ADS)

Jeon, Gi Wan; Lee, Kyu Won; Lee, Cheol Eui

2017-07-01

Half-metals, playing an important role in spintronics, can be described as materials that enable fully spin-polarized electrical current. Taking place in graphene-based materials, half-metallicity has been shown in zigzag-edged graphene nanoribbons (ZGNRs) under an electric field. Localized electron states on the edge carbons are a key to enabling half-metallicity in ZGNRs. Thus, modification of the localized electron states is instrumental to the carbon-based spintronics. Our simple model shows that in a trilayer ZGNRs (triZGNRs) only the middle layer may become half-metallic leaving the outer layers insulating in an electric field, as confirmed by our density functional theory (DFT) calculations. Due to the different circumstances of the edge carbons, the electron energies at the edge carbons are different near the Fermi level, leading to a layer-selective half-metallicity. We believe that triZGNRs can be the tiniest electric cable (nanocable) form and can open a route to graphene-based spintronics applications.

Nanoforging Single Layer MoSe 2 Through Defect Engineering with Focused Helium Ion Beams

DOE PAGES

Iberi, Vighter; Liang, Liangbo; Ievlev, Anton V.; ...

2016-08-02

Development of devices and structures based on the layered 2D materials critically hinges on the capability to induce, control, and tailor the electronic, transport, and optoelectronic properties via defect engineering, much like doping strategies have enabled semiconductor electronics and forging enabled introduction of iron age. Here, we demonstrate the use of a scanning helium ion microscope (HIM) for tailoring the functionality of single layer MoSe 2 locally, and decipher associated mechanisms at atomic level. We demonstrate He + beam bombardment that locally creates vacancies, shifts the Fermi energy landscape and thereby increases the Young s modulus of elasticity. Furthermore, wemore » observe for the first time, an increase in the B-exciton photoluminescence signal from the nanoforged regions at room temperature. In conclusion, the approach for precise defect engineering demonstrated here opens opportunities for creating functional 2D optoelectronic devices with a wide range of customizable properties that include operating in the visible region.« less

Nanoforging Single Layer MoSe 2 Through Defect Engineering with Focused Helium Ion Beams

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

Iberi, Vighter; Liang, Liangbo; Ievlev, Anton V.

Development of devices and structures based on the layered 2D materials critically hinges on the capability to induce, control, and tailor the electronic, transport, and optoelectronic properties via defect engineering, much like doping strategies have enabled semiconductor electronics and forging enabled introduction of iron age. Here, we demonstrate the use of a scanning helium ion microscope (HIM) for tailoring the functionality of single layer MoSe 2 locally, and decipher associated mechanisms at atomic level. We demonstrate He + beam bombardment that locally creates vacancies, shifts the Fermi energy landscape and thereby increases the Young s modulus of elasticity. Furthermore, wemore » observe for the first time, an increase in the B-exciton photoluminescence signal from the nanoforged regions at room temperature. In conclusion, the approach for precise defect engineering demonstrated here opens opportunities for creating functional 2D optoelectronic devices with a wide range of customizable properties that include operating in the visible region.« less

Structural, electronic and magnetic properties of carbon doped boron nitride nanowire: Ab initio study

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

Jalilian, Jaafar, E-mail: JaafarJalilian@gmail.com; Kanjouri, Faramarz, E-mail: kanjouri@khu.ac.ir

2016-11-15

Using spin-polarized density functional theory calculations, we demonstrated that carbon doped boron nitride nanowire (C-doped BNNW) has diverse electronic and magnetic properties depending on position of carbon atoms and their percentages. Our results show that only when one carbon atom is situated on the edge of the nanowire, C-doped BNNW is transformed into half-metal. The calculated electronic structure of the C-doped BNNW suggests that doping carbon can induce localized edge states around the Fermi level, and the interaction among localized edge states leads to semiconductor to half-metal transition. Overall, the bond reconstruction causes of appearance of different electronic behavior suchmore » as semiconducting, half-metallicity, nonmagnetic metallic, and ferromagnetic metallic characters. The formation energy of the system shows that when a C atom is doped on surface boron site, system is more stable than the other positions of carbon impurity. Our calculations show that C-doped BNNW may offer unique opportunities for developing nanoscale spintronic materials.« less

P-channel thin film transistors using reduced graphene oxide

NASA Astrophysics Data System (ADS)

Chakraborty, S.; Resmi, A. N.; Renuka Devi, P.; Jinesh, K. B.

2017-04-01

Chemically reduced graphene oxide (rGO) samples with various degrees of reduction were prepared using hydrazine hydrate as the reducing agent. Scanning tunnelling microscope imaging shows that rGO contains rows of randomly distributed patches of epoxy groups. The local density of states of the rGO samples were mapped with scanning tunnelling spectroscopy, which shows that the bandgap in rGO originates from the epoxide regions itself. The Fermi level of the epoxide regions is shifted towards the valence band, making rGO locally p-type and a range of bandgaps from 0-2.2 eV was observed in these regions. Thin film transistors were fabricated using rGO as the channel layer. The devices show excellent output characteristics with clear saturation and gate dependence. The transfer characteristics show that rGO behaves as a p-type semiconductor; the devices exhibit an on/off ratio of 104, with a low-bias hole mobility of 3.9 cm2 V-1 s-1.

Nanoforging Single Layer MoSe2 Through Defect Engineering with Focused Helium Ion Beams

NASA Astrophysics Data System (ADS)

Iberi, Vighter; Liang, Liangbo; Ievlev, Anton V.; Stanford, Michael G.; Lin, Ming-Wei; Li, Xufan; Mahjouri-Samani, Masoud; Jesse, Stephen; Sumpter, Bobby G.; Kalinin, Sergei V.; Joy, David C.; Xiao, Kai; Belianinov, Alex; Ovchinnikova, Olga S.

2016-08-01

Development of devices and structures based on the layered 2D materials critically hinges on the capability to induce, control, and tailor the electronic, transport, and optoelectronic properties via defect engineering, much like doping strategies have enabled semiconductor electronics and forging enabled introduction the of iron age. Here, we demonstrate the use of a scanning helium ion microscope (HIM) for tailoring the functionality of single layer MoSe2 locally, and decipher associated mechanisms at the atomic level. We demonstrate He+ beam bombardment that locally creates vacancies, shifts the Fermi energy landscape and increases the Young’s modulus of elasticity. Furthermore, we observe for the first time, an increase in the B-exciton photoluminescence signal from the nanoforged regions at the room temperature. The approach for precise defect engineering demonstrated here opens opportunities for creating functional 2D optoelectronic devices with a wide range of customizable properties that include operating in the visible region.

Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations

NASA Astrophysics Data System (ADS)

Tang, Fu-Ling; Liu, Ran; Xue, Hong-Tao; Lu, Wen-Jiang; Feng, Yu-Dong; Rui, Zhi-Yuan; Huang, Min

2014-07-01

Using first-principles calculations within density functional theory, we study the atomic structures and electronic properties of the perfect and defective (2VCu+InCu) CuInGaSe2/CdS interfaces theoretically, especially the interface states. We find that the local lattice structure of (2VCu+InCu) interface is somewhat disorganized. By analyzing the local density of states projected on several atomic layers of the two interfaces models, we find that for the (2VCu+InCu) interface the interface states near the Fermi level in CuInGaSe2 and CdS band gap regions are mainly composed of interfacial Se-4p, Cu-3d and S-3p orbitals, while for the perfect interface there are no clear interface states in the CuInGaSe2 region but only some interface states which are mainly composed of S-3p orbitals in the valance band of CdS region.

Giant oscillating thermopower at oxide interfaces

PubMed Central

Pallecchi, Ilaria; Telesio, Francesca; Li, Danfeng; Fête, Alexandre; Gariglio, Stefano; Triscone, Jean-Marc; Filippetti, Alessio; Delugas, Pietro; Fiorentini, Vincenzo; Marré, Daniele

2015-01-01

Understanding the nature of charge carriers at the LaAlO3/SrTiO3 interface is one of the major open issues in the full comprehension of the charge confinement phenomenon in oxide heterostructures. Here, we investigate thermopower to study the electronic structure in LaAlO3/SrTiO3 at low temperature as a function of gate field. In particular, under large negative gate voltage, corresponding to the strongly depleted charge density regime, thermopower displays high negative values of the order of 104–105μVK−1, oscillating at regular intervals as a function of the gate voltage. The huge thermopower magnitude can be attributed to the phonon-drag contribution, while the oscillations map the progressive depletion and the Fermi level descent across a dense array of localized states lying at the bottom of the Ti 3d conduction band. This study provides direct evidence of a localized Anderson tail in the two-dimensional electron liquid at the LaAlO3/SrTiO3 interface. PMID:25813265

Importance of conduction electron correlation in a Kondo lattice, Ce₂CoSi₃.

PubMed

Patil, Swapnil; Pandey, Sudhir K; Medicherla, V R R; Singh, R S; Bindu, R; Sampathkumaran, E V; Maiti, Kalobaran

2010-06-30

Kondo systems are usually described by the interaction of the correlation induced local moments with the highly itinerant conduction electrons. Here, we study the role of electron correlations among conduction electrons in the electronic structure of a Kondo lattice compound, Ce₂CoSi₃, using high resolution photoemission spectroscopy and ab initio band structure calculations, where Co 3d electrons contribute in the conduction band. High energy resolution employed in the measurements helped to reveal the signatures of Ce 4f states derived Kondo resonance features at the Fermi level and the dominance of Co 3d contributions at higher binding energies in the conduction band. The lineshape of the experimental Co 3d band is found to be significantly different from that obtained from the band structure calculations within the local density approximations, LDA. Consideration of electron-electron Coulomb repulsion, U, among Co 3d electrons within the LDA + U method leads to a better representation of experimental results. The signature of an electron correlation induced satellite feature is also observed in the Co 2p core level spectrum. These results clearly demonstrate the importance of the electron correlation among conduction electrons in deriving the microscopic description of such Kondo systems.

Crystal growth and transport properties of CuAlO2 single crystal

NASA Astrophysics Data System (ADS)

Brahimi, R.; Rekhila, G.; Trari, M.; Bessekhouad, Y.

2014-12-01

The transport properties of the delafossite CuAlO2 single crystal, grown by the flux method, are confined in ∞[AlO2] layers extending in the (001) plans. The dielectric properties are measured up to 490 K in the frequency range (102-105 Hz). The small variation of the dielectric loss tan(δ) is attributed to the wide space charge region. The linear plot log (conductivity) vs. 1000/ T follows an Arrhenius type law and the results are discussed in terms of electron hopping among localized states. The activation energy (0.18 eV) gives an effective mass of 16 m 0 indicating that the levels in the vicinity of the Fermi level are strongly localized. Hence, the increase of the conductivity (σ) results from a thermal activation of the mobility (μ300 K = 1.2 × 10-5 cm-2 V-1 s-1). The sign of hole like small polarons is that of p type carriers originating from oxygen intercalation. The thermopower is little temperature dependent and characteristic of non degenerate conductivity with a low holes concentration and a large concentration of surface states within the gap region.

Fermi-LAT Observations of the LIGO Event GW150914

DOE PAGES

Ackermann, M.; Ajello, M.; Albert, A.; ...

2016-05-12

The Fermi Large Area Telescope (LAT) has an instantaneous field of view (FoV) covering ~1/5 of the sky and it completes a survey of the entire sky in high-energy gamma-rays every 3 hr. It enables searches for transient phenomena over timescales from milliseconds to years. Among these phenomena could be electromagnetic counterparts to gravitational wave (GW) sources. In this study, we present a detailed study of the LAT observations relevant to Laser Interferometer Gravitational-wave Observatory (LIGO) event GW150914, which is the first direct detection of gravitational waves and has been interpreted as being due to the coalescence of two stellar-massmore » black holes. The localization region for GW150914 was outside the LAT FoV at the time of the GW signal. However, as part of routine survey observations, the LAT observed the entire LIGO localization region within ~70 minutes of the trigger and thus enabled a comprehensive search for a γ-ray counterpart to GW150914. Finally, the study of the LAT data presented here did not find any potential counterparts to GW150914, but it did provide limits on the presence of a transient counterpart above 100 MeV on timescales of hours to days over the entire GW150914 localization region.« less

Out-of-equilibrium dynamics of repulsive Fermi gases in quasiperiodic potentials: A density functional theory study

NASA Astrophysics Data System (ADS)

Ancilotto, Francesco; Rossini, Davide; Pilati, Sebastiano

2018-04-01

The dynamics of a one-dimensional two-component Fermi gas in the presence of a quasiperiodic optical lattice (OL) is investigated by means of a density functional theory approach. Inspired by the protocol implemented in recent cold-atom experiments—designed to identify the many-body localization transition—we analyze the relaxation of an initially prepared imbalance between the occupation number of odd and of even sites. For quasidisorder strength beyond the Anderson localization transition, the imbalance survives for long times, indicating the inability of the system to reach local equilibrium. The late-time value of the imbalance diminishes for increasing interaction strength. Close to the critical quasidisorder strength corresponding to the noninteracting (Anderson) transition, the interacting system displays an extremely slow relaxation dynamics, consistent with subdiffusive behavior. The amplitude of the imbalance fluctuations around its running average is found to decrease with time, and such damping is more effective with increasing interaction strengths. While our study addresses the setup with two equally intense OLs, very similar effects due to interactions have been observed also in recent cold-atom experiments performed in the tight-binding regime, i.e., where one of the two OLs is very deep and the other is much weaker.

Fermi-LAT Observations of the LIGO Event GW150914

NASA Technical Reports Server (NTRS)

Ackermann, M.; Ajello, M.; Albert, A.; Anderson, B.; Arimoto, M.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.;

Criticality of the electron-nucleus cusp condition to local effective potential-energy theories

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

Pan Xiaoyin; Sahni, Viraht; Graduate School of the City University of New York, 360 Fifth Avenue, New York, New York 10016

2003-01-01

Local(multiplicative) effective potential energy-theories of electronic structure comprise the transformation of the Schroedinger equation for interacting Fermi systems to model noninteracting Fermi or Bose systems whereby the equivalent density and energy are obtained. By employing the integrated form of the Kato electron-nucleus cusp condition, we prove that the effective electron-interaction potential energy of these model fermions or bosons is finite at a nucleus. The proof is general and valid for arbitrary system whether it be atomic, molecular, or solid state, and for arbitrary state and symmetry. This then provides justification for all prior work in the literature based on themore » assumption of finiteness of this potential energy at a nucleus. We further demonstrate the criticality of the electron-nucleus cusp condition to such theories by an example of the hydrogen molecule. We show thereby that both model system effective electron-interaction potential energies, as determined from densities derived from accurate wave functions, will be singular at the nucleus unless the wave function satisfies the electron-nucleus cusp condition.« less

On Scaling Relations of Organic Antiferromagnets with Magnetic Anions

NASA Astrophysics Data System (ADS)

Shimahara, Hiroshi; Kono, Yuki

2017-04-01

We study a recently reported scaling relation of the specific heat of the organic compounds λ-(BETS)2FexGa1-xCl4. This relation suggests that the sublattice magnetization m of the π electrons and the antiferromagnetic transition temperature TN are proportional to x. Note that the scaling relation for TN can be explained by considering the effective interaction between the π electrons via the localized 3d spins on the FeCl4 anions. The effective interaction is analogous to the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, but the roles of the conductive electrons and the localized spins are interchanged. Using available energy scales, it is shown that the TN scaling relation indicates that the system is in the vicinity of the quantum critical point. It is argued that the scaling relation for m at low temperatures, i.e., below TN but excluding temperatures in the vicinity of TN, indicates that the mismatch between the Fermi surface and that shifted by the nesting vector is large, at least for a large part of the Fermi surface. We also discuss the scaling relation near TN.

Annealing effects on the chemical deposited CdS films and the electrical properties of CdS/CdTe solar cells

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

Han, Junfeng; Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 23, 64287 Darmstadt; Liao, Cheng, E-mail: Cliao@pku.edu.cn

2011-02-15

Graphical abstract: From XPS core level spectras, compared with as-depositing CdS (sample A), the Fermi level is shifting closer to the conduction band after annealing treatment in the oxygen (sample B) while it is shifting closer to the valence band after annealing treatment in the argon-hydrogen (sample C). That might be the main reason of the different performance of the final devices. The open circuit voltage of the CdS/CdTe solar cell increases when the CBD CdS is annealed with oxygen, while the performance of the solar cell decreases when the CBD CdS is annealed with argon-hydrogen. Research highlights: {yields} Twomore » different methods (oxidation and reduction) were used to anneal CdS films for CdTe solar cells. {yields} Electrical properties were analyzed by XPS (Fermi levels of CdS films). {yields} Annealing treatment in oxidation atmosphere could shift Fermi level of CdS film to higher position and consequently improve the CdS/CdTe junction and performance of solar cells. -- Abstract: CdS layers grown by chemical bath deposition (CBD) are annealed in the oxygen and argon-hydrogen atmosphere respectively. It has been found that the open circuit voltage of the CdS/CdTe solar cell increases when the CBD CdS is annealed with oxygen before the deposition of CdTe by close spaced sublimation (CSS), while the performance of the solar cell decreases when the CBD CdS is annealed with argon-hydrogen. Electronic properties of the CdS films are investigated using X-ray photo-electron spectroscopy (XPS), which indicates that the Fermi level is shifting closer to the conduction band after annealing in the oxygen and consequently a higher open circuit voltage of the solar cell can be obtained.« less

VizieR Online Data Catalog: Fermi/non-Fermi blazars jet power and accretion (Chen+, 2015)

NASA Astrophysics Data System (ADS)

Chen, Y. Y.; Zhang, X.; Zhang, H. J.; Yu, X. L.

2017-11-01

We selected the sample using radio catalogues to get the widest possible sample of blazars based on their radio properties. We split them into Fermi-detected sources and non-Fermi detections. Massaro et al. (2009, J/A+A/495/691) created the "Multifrequency Catalogue of Blazars" (Roma-BZCAT), which classifies blazars into three main groups based on their spectral properties. In total, we have a sample containing 177 clean Fermi blazars (96 Fermi FSRQs and 81 Fermi BL Lacs) and 133 non-Fermi blazars (105 non-Fermi FSRQs and 28 non-Fermi BL Lacs). (2 data files).

Holographic non-Fermi liquid in a background magnetic field

NASA Astrophysics Data System (ADS)

Basu, Pallab; He, Jianyang; Mukherjee, Anindya; Shieh, Hsien-Hang

2010-08-01

We study the effects of a nonzero magnetic field on a class of 2+1 dimensional non-Fermi liquids, recently found in [Hong Liu, John McGreevy, and David Vegh, arXiv:0903.2477.] by considering properties of a Fermionic probe in an extremal AdS4 black hole background. Introducing a similar fermionic probe in a dyonic AdS4 black hole geometry, we find that the effect of a magnetic field could be incorporated in a rescaling of the probe fermion’s charge. From this simple fact, we observe interesting effects like gradual disappearance of the Fermi surface and quasiparticle peaks at large magnetic fields and changes in other properties of the system. We also find Landau level like structures and oscillatory phenomena similar to the de-Haas-van Alphen effect.

de Haas–van Alphen study of role of 4 f electrons in antiferromagnetic CeZn 11 as compared to its nonmagnetic analog LaZn 11

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

Blake, S. F.; Hodovanets, H.; McCollam, A.

Here we present a de Haas–van Alphen study of the Fermi surface of the low-temperature antiferromagnet CeZn 11 and its nonmagnetic analog LaZn 11, measured by torque magnetometry up to fields of 33T and at temperatures down to 320 mK . Both systems possess similar de Haas–van Alphen frequencies, with three clear sets of features—ranging from 50 T to 4 kT —corresponding to three bands of a complex Fermi surface, with an expected fourth band also seen weakly in CeZn 11 . The effective masses of the charge carriers are very light (<1 m e) in LaZn 11 but amore » factor of 2–4 larger in CeZn 11, indicative of stronger electronic correlations. We perform detailed density functional theory (DFT) calculations for CeZn 11 and find that only DFT+ U calculations with U = 1.5 eV , which localize the 4 f states, provide a good match to the measured de Haas–van Alphen frequencies, once the presence of magnetic breakdown orbits is also considered. Finally, our study suggests that the Fermi surface of CeZn 11 is very close to that of LaZn 11 being dominated by Zn 3d , as the Ce 4 f states are localized and have little influence on its electronic structure, however, they are responsible for its magnetic order and contribute to enhance electronic correlations.« less

de Haas–van Alphen study of role of 4 f electrons in antiferromagnetic CeZn 11 as compared to its nonmagnetic analog LaZn 11

DOE PAGES

Blake, S. F.; Hodovanets, H.; McCollam, A.; ...

2016-12-02

Here we present a de Haas–van Alphen study of the Fermi surface of the low-temperature antiferromagnet CeZn 11 and its nonmagnetic analog LaZn 11, measured by torque magnetometry up to fields of 33T and at temperatures down to 320 mK . Both systems possess similar de Haas–van Alphen frequencies, with three clear sets of features—ranging from 50 T to 4 kT —corresponding to three bands of a complex Fermi surface, with an expected fourth band also seen weakly in CeZn 11 . The effective masses of the charge carriers are very light (<1 m e) in LaZn 11 but amore » factor of 2–4 larger in CeZn 11, indicative of stronger electronic correlations. We perform detailed density functional theory (DFT) calculations for CeZn 11 and find that only DFT+ U calculations with U = 1.5 eV , which localize the 4 f states, provide a good match to the measured de Haas–van Alphen frequencies, once the presence of magnetic breakdown orbits is also considered. Finally, our study suggests that the Fermi surface of CeZn 11 is very close to that of LaZn 11 being dominated by Zn 3d , as the Ce 4 f states are localized and have little influence on its electronic structure, however, they are responsible for its magnetic order and contribute to enhance electronic correlations.« less

Multipolar Kondo effect in a S10-P32 mixture of 173Yb atoms

NASA Astrophysics Data System (ADS)

Kuzmenko, Igor; Kuzmenko, Tetyana; Avishai, Yshai; Jo, Gyu-Boong

2018-02-01

Whereas in the familiar Kondo effect the exchange interaction is dipolar, there are systems in which the exchange interaction is multipolar, as has been realized in a recent experiment. Here, we study multipolar Kondo effect in a Fermi gas of cold 173Yb atoms. Making use of different ac polarizabilities of the electronic ground state Yb (S10 ) and the long-lived metastable state Yb*(P32 ), it is suggested that the latter atoms can be localized and serve as a dilute concentration of magnetic impurities while the former ones remain itinerant. The exchange mechanism between the itinerant Yb and the localized Yb* atoms is analyzed and shown to be antiferromagnetic. The quadrupole and octupole interactions act to enhance the Kondo temperature TK that is found to be experimentally accessible. The bare exchange Hamiltonian needs to be decomposed into dipole (d), quadrupole (q), and octupole (o) interactions in order to retain its form under renormalization group (RG) analysis, in which the corresponding exchange constants (λd,λq, and λo) flow independently. Numerical solution of the RG scaling equations reveals a few finite fixed points. Arguments are presented that the Fermi-liquid fixed point at low temperature is unstable, indicating that the impurity is overscreened, which suggests a non-Fermi-liquid phase. The impurity contributions to the specific heat, entropy, and the magnetic susceptibility are calculated in the weak coupling regime (T ≫TK ), and are compared with the analogous results obtained for the standard case of dipolar exchange interaction (the s -d Hamiltonian).

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

Radzihovsky, Leo

Motivated by a realization of imbalanced Feshbach-resonant atomic Fermi gases, we formulate a low-energy theory of the Fulde-Ferrell and the Larkin-Ovchinnikov (LO) states and use it to analyze fluctuations, stability, and phase transitions in these enigmatic finite momentum-paired superfluids. Focusing on the unidirectional LO pair-density-wave state, which spontaneously breaks the continuous rotational and translational symmetries, we show that it is characterized by two Goldstone modes, corresponding to a superfluid phase and a smectic phonon. Because of the liquid-crystalline ''softness'' of the latter, at finite temperature the three-dimensional state is characterized by a vanishing LO order parameter, quasi-Bragg peaks in themore » structure and momentum distribution functions, and a ''charge''-4, paired-Cooper-pairs, off-diagonal long-range order, with a superfluid-stiffness anisotropy that diverges near a transition into a nonsuperfluid state. In addition to conventional integer vortices and dislocations, the LO superfluid smectic exhibits composite half-integer vortex-dislocation defects. A proliferation of defects leads to a rich variety of descendant states, such as the charge-4 superfluid and Fermi-liquid nematics and topologically ordered nonsuperfluid states, that generically intervene between the LO state and the conventional superfluid and the polarized Fermi liquid at low and high imbalance, respectively. The fermionic sector of the LO gapless superconductor is also quite unique, exhibiting a Fermi surface of Bogoliubov quasiparticles associated with the Andreev band of states, localized on the array of the LO domain walls.« less

Thermal rectification in mass-graded next-nearest-neighbor Fermi-Pasta-Ulam lattices

NASA Astrophysics Data System (ADS)

Romero-Bastida, M.; Miranda-Peña, Jorge-Orlando; López, Juan M.

2017-03-01

We study the thermal rectification efficiency, i.e., quantification of asymmetric heat flow, of a one-dimensional mass-graded anharmonic oscillator Fermi-Pasta-Ulam lattice both with nearest-neighbor (NN) and next-nearest-neighbor (NNN) interactions. The system presents a maximum rectification efficiency for a very precise value of the parameter that controls the coupling strength of the NNN interactions, which also optimizes the rectification figure when its dependence on mass asymmetry and temperature differences is considered. The origin of the enhanced rectification is the asymmetric local heat flow response as the heat reservoirs are swapped when a finely tuned NNN contribution is taken into account. A simple theoretical analysis gives an estimate of the optimal NNN coupling in excellent agreement with our simulation results.

Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms

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

Pederson, Mark R., E-mail: mark.pederson@science.doe.gov

2015-02-14

A recent modification of the Perdew-Zunger self-interaction-correction to the density-functional formalism has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Löwdin orthonormalized Fermi-orbitals which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested, here, on atoms. Total energies and ionization energies in closed-shell singlet atoms, where correlation is less important, using the Perdew-Wang 1992 Local Density Approximation (PW92) functional, are in good agreement with experiment and non-relativistic quantum-Monte-Carlo results albeitmore » slightly too low.« less

Measurement of the Cosmic Ray e + + e - Spectrum from 20 GeV to 1 TeV with the Fermi Large Area Telescope

DOE PAGES

Abdo, A. A.

2009-05-04

Designed as a high-sensitivity gamma-ray observatory, the Fermi Large Area Telescope is also an electron detector with a large acceptance exceeding 2 m 2 sr at 300 GeV. Building on the gamma-ray analysis, we have developed in this paper an efficient electron detection strategy which provides sufficient background rejection for measurement of the steeply falling electron spectrum up to 1 TeV. Our high precision data show that the electron spectrum falls with energy as E -3.0 and does not exhibit prominent spectral features. Finally, interpretations in terms of a conventional diffusive model as well as a potential local extra componentmore » are briefly discussed.« less

Experimental Observation of Fermi-Pasta-Ulam Recurrence in a Nonlinear Feedback Ring System

NASA Astrophysics Data System (ADS)

Wu, Mingzhong; Patton, Carl E.

2007-01-01

Fermi-Pasta-Ulam recurrence through soliton dynamics has been realized. The experiment used a magnetic film strip-based active feedback ring. At some ring gain level, a wide spin wave pulse is self-generated in the ring. As the pulse circulates, it separates into two envelop solitons with different speeds. When the fast soliton catches up and collides with the slow soliton, the initial wide pulse is perfectly reconstructed. The repetition of this process leads to periodic recurrences of the initial pulse.

Magnetotransport study of Dirac fermions in YbMnBi 2 antiferromagnet

DOE PAGES

Wang, Aifeng; Zaliznyak, I.; Ren, Weijun; ...

2016-10-15

We report quantum transport and Dirac fermions in YbMnBi 2 single crystals. YbMnBi 2 is a layered material with anisotropic conductivity and magnetic order below 290 K. Magnetotransport properties, nonzero Berry phase, and small cyclotron mass indicate the presence of Dirac fermions. Lastly, angular-dependent magnetoresistance indicates a possible quasi-two-dimensional Fermi surface, whereas the deviation from the nontrivial Berry phase expected for Dirac states suggests the contribution of parabolic bands at the Fermi level or spin-orbit coupling.

On the electronic properties of GaSb irradiated with reactor neutrons and its charge neutrality level

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

Boiko, V. M.; Brudnii, V. N., E-mail: brudnyi@mail.tsu.ru; Ermakov, V. S.

2015-06-15

The electronic properties and the limiting position of the Fermi level in p-GaSb crystals irradiated with full-spectrum reactor neutrons at up to a fluence of 8.6 × 10{sup 18} cm{sup −2} are studied. It is shown that the irradiation of GaSb with reactor neutrons results in an increase in the concentration of free holes to p{sub lim} = (5−6) × 10{sup 18} cm{sup −3} and in pinning of the Fermi level at the limiting position F{sub lim} close to E{sub V} + 0.02 eV at 300 K. The effect of the annealing of radiation defects in the temperature range 100–550°Cmore » is explored.« less

Connection between Fermi contours of zero-field electrons and ν =1/2 composite fermions in two-dimensional systems

NASA Astrophysics Data System (ADS)

Ippoliti, Matteo; Geraedts, Scott D.; Bhatt, R. N.

2017-07-01

We investigate the relation between the Fermi sea (FS) of zero-field carriers in two-dimensional systems and the FS of the corresponding composite fermions which emerge in a high magnetic field at filling ν =1/2 , as the kinetic energy dispersion is varied. We study cases both with and without rotational symmetry and find that there is generally no straightforward relation between the geometric shapes and topologies of the two FSs. In particular, we show analytically that the composite Fermi liquid (CFL) is completely insensitive to a wide range of changes to the zero-field dispersion which preserve rotational symmetry, including ones that break the zero-field FS into multiple disconnected pieces. In the absence of rotational symmetry, we show that the notion of "valley pseudospin" in many-valley systems is generically not transferred to the CFL, in agreement with experimental observations. We also discuss how a rotationally symmetric band structure can induce a reordering of the Landau levels, opening interesting possibilities of observing higher-Landau-level physics in the high-field regime.

Manifestation of intra-atomic 5d6s-4f exchange coupling in photoexcited gadolinium

NASA Astrophysics Data System (ADS)

Zhang, G. P.; Jenkins, T.; Bennett, M.; Bai, Y. H.

2017-12-01

Intra-atomic exchange couplings (IECs) between 5d6s and 4f electrons are ubiquitous in rare-earth metals and play a critical role in spin dynamics. However, detecting them in real time domain has been difficult. Here we show the direct evidence of IEC between 5d6s and 4f electrons in gadolinium. Upon femtosecond laser excitation, 5d6s electrons are directly excited; their majority bands shift toward the Fermi level while their minority bands do the opposite. For the first time, our first-principles minority shift now agrees with the experiment quantitatively. Excited 5d6s electrons lower the exchange potential barrier for 4f electrons, so the 4f states are also shifted in energy, a prediction that can be tested experimentally. Although a significant number of 5d6s electrons, some several eV below the Fermi level, are excited out of the Fermi sea, there is no change in the 4f states, a clear manifestation of intra-atomic exchange coupling.

Modulating the band structure and sub-bandgap absorption of Co-hyperdoped silicon by co-doping with shallow-level elements

NASA Astrophysics Data System (ADS)

Dong, Xiao; Fang, Xiuxiu; Wang, Yongyong; Song, Xiaohui; Lu, Zhansheng

2018-06-01

Hyperdoped group-III elements can lower the Fermi energy in the band structures of Co-hyperdoped silicon. When the Co-to-X (X = B, Al, Ga) ratio is 2:1, the intermediate band (IB) in the bandgap includes the Fermi energy and is partially filled by electrons, which is in accordance with the requirement of an IB material. The hyperdoped X atoms can cause the blueshift of the sub-bandgap absorption of the compound compared with the material with no shallow-level elements, which is due to the enlargement of the electronic excitation energy of the Co,X-co-doped silicon.

Effect of 3d doping on the electronic structure of BaFe2As2.

PubMed

McLeod, J A; Buling, A; Green, R J; Boyko, T D; Skorikov, N A; Kurmaev, E Z; Neumann, M; Finkelstein, L D; Ni, N; Thaler, A; Bud'ko, S L; Canfield, P C; Moewes, A

2012-05-30

The electronic structure of BaFe(2)As(2) doped with Co, Ni and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi level, while the Cu 3d states are found at the bottom of the valence band in a localized 3d(10) shell. These findings help shed light on why superconductivity can occur in BaFe(2)As(2) doped with Co and Ni but not Cu.

Intense conductivity suppression by edge defects in zigzag MoS2 and WSe2 nanoribbons: a density functional based tight-binding study.

PubMed

Silva, F W N; Costa, A L M T; Liu, Lei; Barros, E B

2016-11-04

The effects of edge vacancies on the electron transport properties of zigzag MoS2/WSe2 nanoribbons are studied using a density functional theory (DFT)-based tight-binding model with a sp(3)d(5) basis set for the electronic structure calculation and applying the Landauer-Büttiker approach for the electronic transport. Our results show that the presence of a single edge vacancy, with a missing MoS2/WSe2 triplet, is enough to suppress the conductance of the system by almost one half for most energies around the Fermi level. Furthermore, the presence of other single defects along the same edge has little effect on the overall conductance, indicating that the conductance of that particular edge has been strongly suppressed by the first defect. The presence of another defect on the opposite edge further suppresses the quantum conductance, independently of the relative position between the two defects in opposite edges. The introduction of other defects cause the suppression to be energy dependent, leading to conductance peaks which depend on the geometry of the edges. The strong conductance dependence on the presence of edge defects is corroborated by DFT calculations using SIESTA, which show that the electronic bands near the Fermi energy are strongly localized at the edge.

Properties of {sup 112}Cd from the (n,n'{gamma}) reaction: Levels and level densities

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

Garrett, P. E.; Lehmann, H.; Jolie, J.

2001-08-01

Levels in {sup 112}Cd have been studied through the (n,n'{gamma}) reaction with monoenergetic neutrons. An extended set of experiments that included excitation functions, {gamma}-ray angular distributions, and {gamma}{gamma} coincidence measurements was performed. A total of 375 {gamma} rays were placed in a level scheme comprising 200 levels (of which 238 {gamma}-ray assignments and 58 levels are newly established) up to 4 MeV in excitation. No evidence to support the existence of 47 levels as suggested in previous studies was found, and these have been removed from the level scheme. From the results, a comparison of the level density is mademore » with the constant temperature and back-shifted Fermi gas models. The back-shifted Fermi gas model with the Gilbert-Cameron spin cutoff parameter provided the best overall fit. Without using the neutron resonance information and only fitting the cumulative number of low-lying levels, the level density parameters extracted are a sensitive function of the maximum energy used in the fit.« less

VizieR Online Data Catalog: The Fermi-GBM three-year X-ray burst catalog (Jenke+, 2016)

NASA Astrophysics Data System (ADS)

Jenke, P. A.; Linares, M.; Connaughton, V.; Beklen, E.; Camero-Arranz, A.; Finger, M. H.; Wilson-Hodge, C. A.

2018-03-01

Gamma-ray Burst Monitor (GBM) is an all-sky monitor whose primary objective is to extend the energy range over which gamma-ray bursts are observed in the Large Area Telescope on Fermi (Meegan et al. 2009ApJ...702..791M). GBM consists of 12 NaI detectors with a diameter of 12.7 cm and a thickness of 1.27 cm and two bismuth germanate (BGO) detectors with a diameter and thickness of 12.7 cm. GBM has three continuous data types: CTIME data with nominal 0.256 s time resolution and 8-channel spectral resolution used for event detection and localization, CSPEC data with nominal 4.096 s time resolution and 128-channel spectral resolution, which are used for spectral modeling, and CTTE (continuous-time tagged event) data with time stamps (2 μs precision) on individual events at full 128-channel spectral resolution, which were made available in 2012 November. The Fermi-GBM X-ray Burst Monitor relies on daily inspection of CTIME channel 1 (12-25 keV) data and began operations on 2010 March 12. (3 data files).

Mixed valent metals

NASA Astrophysics Data System (ADS)

Riseborough, P. S.; Lawrence, J. M.

2016-08-01

We review the theory of mixed-valent metals and make comparison with experiments. A single-impurity description of the mixed-valent state is discussed alongside the description of the nearly-integer valent or Kondo limit. The degeneracy N of the f-shell plays an important role in the description of the low-temperature Fermi-liquid state. In particular, for large N, there is a rapid cross-over between the mixed-valent and the Kondo limit when the number of f electrons is changed. We discuss the limitations on the application of the single-impurity description to concentrated compounds such as those caused by the saturation of the Kondo effect and those due to the presence of magnetic interactions between the impurities. This discussion is followed by a description of a periodic lattice of mixed-valent ions, including the role of the degeneracy N. The article concludes with a comparison of theory and experiment. Topics covered include the single-impurity Anderson model, Luttinger’s theorem, the Friedel sum rule, the Schrieffer-Wolff transformation, the single-impurity Kondo model, Kondo screening, the Wilson ratio, local Fermi-liquids, Fermi-liquid sum rules, the Noziéres exhaustion principle, Doniach’s diagram, the Anderson lattice model, the Slave-Boson method, etc.

Theoretical calculation of electron-positron momentum density in YBa 2Cu 3O 7-δ

NASA Astrophysics Data System (ADS)

Massidda, S.

1990-07-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor YBa 2Cu 3O 7-δ for δ=0 and for the insulating parent compound YBa 2Cu 3O 6, based on first-principle electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our results indicate a small overlap of the positron wave function with the CuO 2 plane electrons and, as a consequence, relatively small signals due to the related Fermi surfaces. By contrast, the present calculations show, after the folding of Umklapp terms according to Lock, Crisp and West, clear Fermi surface breaks arising from the Cu-O chain bands. No general agreement with existing experiments allows a clear definition of Fermi surface structures in the latter. A comparison of the calculated momentum with the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) recently measured in Geneva shows an overall agreement for the insulating compound, despite the spurious LDA metallic state, and possibly suggests the importance of O vacancies in experiments performed on non-stoichiometric YBa 2Cu 3O 7-δ samples.

A connection between domain-averaged Fermi hole orbitals and electron number distribution functions in real space.

PubMed

Francisco, E; Martín Pendás, A; Blanco, M A

2009-09-28

We show in this article how for single-determinant wave functions the one-electron functions derived from the diagonalization of the Fermi hole, averaged over an arbitrary domain Omega of real space, and expressed in terms of the occupied canonical orbitals, describe coarse-grained statistically independent electrons. With these domain-averaged Fermi hole (DAFH) orbitals, the full electron number distribution function (EDF) is given by a simple product of one-electron events. This useful property follows from the simultaneous orthogonality of the DAFH orbitals in Omega, Omega(')=R(3)-Omega, and R(3). We also show how the interfragment (shared electron) delocalization index, delta(Omega,Omega(')), transforms into a sum of one-electron DAFH contributions. Description of chemical bonding in terms of DAFH orbitals provides a vivid picture relating bonding and delocalization in real space. DAFH and EDF analyses are performed on several test systems to illustrate the close relationship between both concepts. Finally, these analyses clearly prove how DAFH orbitals well localized in Omega or Omega(') can be simply ignored in computing the EDFs and/or delta(Omega,Omega(')), and thus do not contribute to the chemical bonding between the two fragments.

The Fermi Galactic Center GeV excess and implications for dark matter

DOE PAGES

Ackermann, M.; Ajello, M.; Albert, A.; ...

2017-05-04

Here, the region around the Galactic Center (GC) is now well established to be brighter at energies of a few GeV than what is expected from conventional models of diffuse gamma-ray emission and catalogs of known gamma-ray sources. We study the GeV excess using 6.5 yr of data from the Fermi Large Area Telescope. We characterize the uncertainty of the GC excess spectrum and morphology due to uncertainties in cosmic-ray source distributions and propagation, uncertainties in the distribution of interstellar gas in the Milky Way, and uncertainties due to a potential contribution from the Fermi bubbles. We also evaluate uncertaintiesmore » in the excess properties due to resolved point sources of gamma rays. The GC is of particular interest, as it would be expected to have the brightest signal from annihilation of weakly interacting massive dark matter (DM) particles. However, control regions along the Galactic plane, where a DM signal is not expected, show excesses of similar amplitude relative to the local background. Furthermore, based on the magnitude of the systematic uncertainties, we conservatively report upper limits for the annihilation cross-section as a function of particle mass and annihilation channel.« less

Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na3VF6

NASA Astrophysics Data System (ADS)

Reshak, A. H.; Azam, Sikander

2014-05-01

The electronic structure, charge density and Fermi surface of Na3VF6 compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel-Vosko GGA (EVGGA) to treat the exchange correlation potential to solve Kohn-Sham equations. The calculation show that Na3VF6 compound has metallic nature and the Fermi energy (EF) is assessed by overlapping of V-d state. The calculated density of states at the EF are about 18.655, 51.932 and 13.235 states/eV, and the bare linear low-temperature electronic specific heat coefficient (γ) is found to be 3.236 mJ/mol-K2, 9.008 mJ/mol-K2 and 2.295 mJ/mol-K2 for LDA, GGA and EVGGA, respectively. The Fermi surface is composed of two sheets. The chemical bonding of Na3VF6 compound is analyzed through the electronic charge density in the (1 1 0) crystallographic plane. The optical constants and thermal properties were also calculated and discussed.

Mixed valent metals

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

Riseborough, P. S.; Lawrence, Jon M.

Here, we review the theory of mixed-valent metals and make comparison with experiments. A single-impurity description of the mixed-valent state is discussed alongside the description of the nearly-integer valent or Kondo limit. The degeneracy N of the f-shell plays an important role in the description of the low-temperature Fermi-liquid state. In particular, for large N, there is a rapid cross-over between the mixed-valent and the Kondo limit when the number of f electrons is changed. We discuss the limitations on the application of the single-impurity description to concentrated compounds such as those caused by the saturation of the Kondo effectmore » and those due to the presence of magnetic interactions between the impurities. This discussion is followed by a description of a periodic lattice of mixed-valent ions, including the role of the degeneracy N. The article concludes with a comparison of theory and experiment. Topics covered include the single-impurity Anderson model, Luttinger's theorem, the Friedel sum rule, the Schrieffer–Wolff transformation, the single-impurity Kondo model, Kondo screening, the Wilson ratio, local Fermi-liquids, Fermi-liquid sum rules, the Nozieres exhaustion principle, Doniach's diagram, the Anderson lattice model, the Slave-Boson method, etc.« less

Mixed valent metals

DOE PAGES

Riseborough, P. S.; Lawrence, Jon M.

2016-07-04

Here, we review the theory of mixed-valent metals and make comparison with experiments. A single-impurity description of the mixed-valent state is discussed alongside the description of the nearly-integer valent or Kondo limit. The degeneracy N of the f-shell plays an important role in the description of the low-temperature Fermi-liquid state. In particular, for large N, there is a rapid cross-over between the mixed-valent and the Kondo limit when the number of f electrons is changed. We discuss the limitations on the application of the single-impurity description to concentrated compounds such as those caused by the saturation of the Kondo effectmore » and those due to the presence of magnetic interactions between the impurities. This discussion is followed by a description of a periodic lattice of mixed-valent ions, including the role of the degeneracy N. The article concludes with a comparison of theory and experiment. Topics covered include the single-impurity Anderson model, Luttinger's theorem, the Friedel sum rule, the Schrieffer–Wolff transformation, the single-impurity Kondo model, Kondo screening, the Wilson ratio, local Fermi-liquids, Fermi-liquid sum rules, the Nozieres exhaustion principle, Doniach's diagram, the Anderson lattice model, the Slave-Boson method, etc.« less

The Fermi Galactic Center GeV Excess and Implications for Dark Matter

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

Ackermann, M.; Buehler, R.; Ajello, M.

2017-05-01

The region around the Galactic Center (GC) is now well established to be brighter at energies of a few GeV than what is expected from conventional models of diffuse gamma-ray emission and catalogs of known gamma-ray sources. We study the GeV excess using 6.5 yr of data from the Fermi Large Area Telescope. We characterize the uncertainty of the GC excess spectrum and morphology due to uncertainties in cosmic-ray source distributions and propagation, uncertainties in the distribution of interstellar gas in the Milky Way, and uncertainties due to a potential contribution from the Fermi bubbles. We also evaluate uncertainties inmore » the excess properties due to resolved point sources of gamma rays. The GC is of particular interest, as it would be expected to have the brightest signal from annihilation of weakly interacting massive dark matter (DM) particles. However, control regions along the Galactic plane, where a DM signal is not expected, show excesses of similar amplitude relative to the local background. Based on the magnitude of the systematic uncertainties, we conservatively report upper limits for the annihilation cross-section as a function of particle mass and annihilation channel.« less

A moving target: responding to magnetic and structural disorder in lanthanide- and actinide-based superconductors

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

Bauer, Eric D; Mitchell, Jeremy N; Booth, C H

2009-01-01

The effects of various chemical substitutions and induced lattice disorder in the Ce- and Pu-based 115 superconductors are reviewed, with particular emphasis on results from x-ray absorption fine structure (XAFS) measurements. The competition between spin, charge, and lattice interactions is at the heart of many of the strongly-correlated ground states in materials of current interest, such as in colossal magnetoresistors and high-temperature superconductors. This relationship is particularly strong in the CeTIn{sub 5} and PuTGa{sub 5} series (T = Co, Rh, Ir) of heavy-fermion superconductors. In these systems (figure 1), competition between bulk magnetic and non-magnetic ground states, as well asmore » between superconducting and normal states, are directly related to local properties around the lanthanide or actinide ion, such as the nearest-neighbor bond lengths and the local density of states at the Fermi level. Tiny changes in the latter values can easily tip the balance from one ground state to another. This paper reviews recent work by the authors exploring the relationship between local crystal and electronic structure and ground state magnetic and conducting properties in the Ce- and Pu-based 115 materials.« less

Quantum transport in chaotic and integrable ballistic cavities with tunable shape

NASA Astrophysics Data System (ADS)

Lee, Y.; Faini, G.; Mailly, D.

1997-10-01

We have performed magnetotransport measurements in ballistic cavities and obtained the average by small modulations on the shapes and/or on the Fermi level. We work with cavities whose underlying classical dynamics is chaotic (stadia and Sinaï billiards) and integrable (circles and rectangles). The former show a Lorentzian weak-localization peak, in agreement with semiclassical predictions and other averaging methods that have been used in recent measurements. For integrable cavities our measurements show that the shape of the weak localization is very sensitive to the exact geometry of the sample: a linear magnetoconductance has been observed for rectangles as expected by the theory for integrable cavities, whereas for circles the shape is always Lorentzian. These discrepancies illustrate the nongeneric behavior of scattering through integrable geometries, that we analyze taking into account the interplay of integrability with smooth disorder and geometrical effects. The power spectra of the conductance fluctuations are also analyzed, the deduced typical areas are in good agreement with those obtained from the weak localization. Periodic orbits in nonaveraged Fourier transforms of the magnetoconductance for regular cavities are clearly identified indicating the good quality of our samples.

Manipulating Electromagnetic Local Density of States by Graphene Plasmonics

DTIC Science & Technology

2015-07-01

1) where h̄ is the reduced Plank’s constant, fd() =( e(−μc)/kBT + 1 )−1 is the Fermi - Dirac distribution , and kB is the Boltzmann’s constant...sheet of carbon atoms bonded in a honeycomb lattice. Due to a unique energy-momentum relationship, electrons in graphene behave like Dirac fermions [6

Extending the Fermi-LAT Data Processing Pipeline to the Grid

NASA Astrophysics Data System (ADS)

Zimmer, S.; Arrabito, L.; Glanzman, T.; Johnson, T.; Lavalley, C.; Tsaregorodtsev, A.

2012-12-01

The Data Handling Pipeline (“Pipeline”) has been developed for the Fermi Gamma-Ray Space Telescope (Fermi) Large Area Telescope (LAT) which launched in June 2008. Since then it has been in use to completely automate the production of data quality monitoring quantities, reconstruction and routine analysis of all data received from the satellite and to deliver science products to the collaboration and the Fermi Science Support Center. Aside from the reconstruction of raw data from the satellite (Level 1), data reprocessing and various event-level analyses are also reasonably heavy loads on the pipeline and computing resources. These other loads, unlike Level 1, can run continuously for weeks or months at a time. In addition it receives heavy use in performing production Monte Carlo tasks. In daily use it receives a new data download every 3 hours and launches about 2000 jobs to process each download, typically completing the processing of the data before the next download arrives. The need for manual intervention has been reduced to less than 0.01% of submitted jobs. The Pipeline software is written almost entirely in Java and comprises several modules. The software comprises web-services that allow online monitoring and provides charts summarizing work flow aspects and performance information. The server supports communication with several batch systems such as LSF and BQS and recently also Sun Grid Engine and Condor. This is accomplished through dedicated job control services that for Fermi are running at SLAC and the other computing site involved in this large scale framework, the Lyon computing center of IN2P3. While being different in the logic of a task, we evaluate a separate interface to the Dirac system in order to communicate with EGI sites to utilize Grid resources, using dedicated Grid optimized systems rather than developing our own. More recently the Pipeline and its associated data catalog have been generalized for use by other experiments, and are currently being used by the Enriched Xenon Observatory (EXO), Cryogenic Dark Matter Search (CDMS) experiments as well as for Monte Carlo simulations for the future Cherenkov Telescope Array (CTA).

Role of defects in the carrier-tunable topological-insulator (Bi1 -xSbx )2Te3 thin films

NASA Astrophysics Data System (ADS)

Scipioni, Kane L.; Wang, Zhenyu; Maximenko, Yulia; Katmis, Ferhat; Steiner, Charlie; Madhavan, Vidya

2018-03-01

Alloys of Bi2Te3 and Sb2Te3[(Bi1-xSbx) 2Te3] have played an essential role in the exploration of topological surface states, allowing us to study phenomena that would otherwise be obscured by bulk contributions to conductivity. Despite intensive transport and angle resolved photoemission (ARPES) studies, important questions about this system remain unanswered. For example, previous studies reported the chemical tuning of the Fermi level to the Dirac point by controlling the Sb:Bi composition ratio, but the optimum ratio varies widely across various studies. Moreover, it is unclear how the quasiparticle lifetime is affected by the disorder resulting from Sb/Bi alloying. In this work, we use scanning tunneling microscopy and spectroscopy to study the electronic structure of epitaxially grown (Bi,Sb) 2Te3 thin films at the nanoscale. We study Landau levels (LLs) to determine the effect of disorder on the quasiparticle lifetime as well as the position of the Dirac point with respect to the Fermi energy. A plot of the LL peak widths shows that despite the intrinsic disorder, the quasiparticle lifetime is not significantly degraded. We further determine that the ideal Sb concentration to place the Fermi energy to within a few meV of the Dirac point is x ˜0.7 , but that postannealing temperatures can have a significant effect on the crystallinity and Fermi level position. Specifically, high postgrowth annealing temperature can result in better crystallinity and surface roughness, but also produces a larger Te defect density which adds n -type carriers. Finally, in combination with quasiparticle interference imaging, the dispersion is revealed over a large energy range above the Fermi energy, in a regime inaccessible to ARPES. Interestingly, the surface state dispersion for the x ˜0.7 sample shows great similarity to pristine Bi2Te3 . This work provides microscopic information on the role of disorder and composition in determining carrier concentration, surface state dispersion, and quasiparticle lifetime in (Bi1 -xSbx )2Te3 .

Electrostatic interactions between ions near Thomas-Fermi substrates and the surface energy of ionic crystal at imperfect metals

PubMed Central

Kaiser, V.; Comtet, J.; Niguès, A.; Siria, A.; Coasne, B.; Bocquet, L.

2017-01-01

The electrostatic interaction between two charged particles is strongly modified in the vicinity of a metal. This situation is usually accounted for by the celebrated image charges approach, which was further extended to account for the electronic screening properties of the metal at the level of the Thomas-Fermi description. In this paper we build upon the approach by [Kornyshev et al. Zh. Eksp. Teor. Fiz., 78(3):1008–1019, 1980] and successive works to calculate the 1-body and 2-body electrostatic energy of ions near a metal in terms of the Thomas-Fermi screening length. We propose workable approximations suitable for molecular simulations of ionic systems close to metallic walls. Furthermore, we use this framework to calculate analytically the electrostatic contribution to the surface energy of a one dimensional crystal at a metallic wall and its dependence on the Thomas-Fermi screening length. These calculations provide a simple interpretation for the surface energy in terms of image charges, which allow for an estimate of interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. A counterintuitive outcome is that electronic screening, as characterized by a molecular Thomas-Fermi length ℓTF, profoundly affects the wetting of ionic systems close to a metal, in line with the recent experimental observation of capillary freezing of ionic liquids in metallic confinement. PMID:28436506

Assessing the role of hydrogen in Fermi-level pinning in chalcopyrite and kesterite solar absorbers from first-principles calculations

NASA Astrophysics Data System (ADS)

Varley, J. B.; Lordi, V.; Ogitsu, T.; Deangelis, A.; Horsley, K.; Gaillard, N.

2018-04-01

Understanding the impact of impurities in solar absorbers is critical to engineering high-performance in devices, particularly over extended periods of time. Here, we use hybrid functional calculations to explore the role of hydrogen interstitial (Hi) defects in the electronic properties of a number of attractive solar absorbers within the chalcopyrite and kesterite families to identify how this common impurity may influence device performance. Our results identify that Hi can inhibit the highly p-type conditions desirable for several higher-band gap absorbers and that H incorporation could detrimentally affect the open-circuit voltage (Voc) and limit device efficiencies. Additionally, we find that Hi can drive the Fermi level away from the valence band edge enough to lead to n-type conductivity in a number of chalcopyrite and kesterite absorbers, particularly those containing Ag rather than Cu. We find that these effects can lead to interfacial Fermi-level pinning that can qualitatively explain the observed performance in high-Ga content CIGSe solar cells that exhibit saturation in the Voc with increasing band gap. Our results suggest that compositional grading rather than bulk alloying, such as by creating In-rich surfaces, may be a better strategy to favorably engineering improved thin-film photovoltaics with larger-band gap absorbers.

Absence of Dirac states in BaZnBi 2 induced by spin-orbit coupling

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

Ren, Weijun; Wang, Aifeng; Graf, D.

We report magnetotransport properties of BaZnBi 2 single crystals. Whereas electronic structure features Dirac states, such states are removed from the Fermi level by spin-orbit coupling (SOC) and consequently electronic transport is dominated by the small hole and electron pockets. Our results are consistent with not only three-dimensional, but also with quasi-two-dimensional portions of the Fermi surface. The SOC-induced gap in Dirac states is much larger when compared to isostructural SrMnBi 2. This suggests that not only long-range magnetic order, but also mass of the alkaline-earth atoms A in ABX 2 ( A = alkaline-earth, B = transition-metal, and Xmore » = Bi/Sb) are important for the presence of low-energy states obeying the relativistic Dirac equation at the Fermi surface.« less

Magnetothermoelectric properties of Bi2Se3

NASA Astrophysics Data System (ADS)

Fauqué, Benoît; Butch, Nicholas P.; Syers, Paul; Paglione, Johnpierre; Wiedmann, Steffen; Collaudin, Aurélie; Grena, Benjamin; Zeitler, Uli; Behnia, Kamran

2013-01-01

We present a study of entropy transport in Bi2Se3 at low temperatures and high magnetic fields. In the zero-temperature limit, the magnitude of the Seebeck coefficient quantitatively tracks the Fermi temperature of the three-dimensional Fermi surface at the Γ point as the carrier concentration changes by two orders of magnitude (1017 to 1019 cm-3). In high magnetic fields, the Nernst response displays giant quantum oscillations indicating that this feature is not exclusive to compensated semimetals. A comprehensive analysis of the Landau level spectrum firmly establishes a large g factor in this material and a substantial decrease of the Fermi energy with increasing magnetic field across the quantum limit. Thus, the presence of bulk carriers significantly affects the spectrum of the intensively debated surface states in Bi2Se3 and related materials.

Absence of Dirac states in BaZnBi 2 induced by spin-orbit coupling

DOE PAGES

Ren, Weijun; Wang, Aifeng; Graf, D.; ...

2018-01-22

We report magnetotransport properties of BaZnBi 2 single crystals. Whereas electronic structure features Dirac states, such states are removed from the Fermi level by spin-orbit coupling (SOC) and consequently electronic transport is dominated by the small hole and electron pockets. Our results are consistent with not only three-dimensional, but also with quasi-two-dimensional portions of the Fermi surface. The SOC-induced gap in Dirac states is much larger when compared to isostructural SrMnBi 2. This suggests that not only long-range magnetic order, but also mass of the alkaline-earth atoms A in ABX 2 ( A = alkaline-earth, B = transition-metal, and Xmore » = Bi/Sb) are important for the presence of low-energy states obeying the relativistic Dirac equation at the Fermi surface.« less

Realization of non-symmorphic Dirac cones in PbFCl materials

NASA Astrophysics Data System (ADS)

Schoop, Leslie

While most 3D Dirac semimetals require two bands with different orbital character to be protected, there is also the possibility to find 3D Dirac semimetals that are guaranteed to exist in certain space groups. Those are resulting from the non-symmoprhic symmetry of the space group, which forces the bands to degenerate at high symmetry points in the Brillouin zone. Non-symmorphic space groups can force three- four, six and eight fold degeneracies which led to the proposal to find 3D Dirac Semimetals as well as new quasiparticles in such space groups. Problematic for realizing this types of Dirac materials is that they require and odd band filling in order to have the Fermi level located at or also near by the band crossing points. Therefore, although the first prediction for using non-symmoprhic symmetry to create a Dirac material was made in 2012, it took almost four years for an experimental verification of this type of Dirac crossing. In this talk I will introduce the material ZrSiS that has, besides other Dirac features, a Dirac cone protected by non-symmorphic symmetry at about 0.5 eV below the Fermi level and was the first material where this type of Dirac cone was imaged with ARPES. I will then proceed to discuss ways to shift this crossing to the Fermi edge and finally show an experimental verification of a fourfold Dirac crossing, protected by non-symmorphic symmetry, at the Fermi energy.

Metal-to-insulator crossover in alkali doped zeolite

PubMed Central

Igarashi, Mutsuo; Jeglič, Peter; Krajnc, Andraž; Žitko, Rok; Nakano, Takehito; Nozue, Yasuo; Arčon, Denis

2016-01-01

We report a systematic nuclear magnetic resonance investigation of the 23Na spin-lattice relaxation rate, 1/T1, in sodium loaded low-silica X (LSX) zeolite, Nan/Na12-LSX, for various loading levels of sodium atoms n across the metal-to-insulator crossover. For high loading levels of n ≥ 14.2, 1/T1T shows nearly temperature-independent behaviour between 10 K and 25 K consistent with the Korringa relaxation mechanism and the metallic ground state. As the loading levels decrease below n ≤ 11.6, the extracted density of states (DOS) at the Fermi level sharply decreases, although a residual DOS at Fermi level is still observed even in the samples that lack the metallic Drude-peak in the optical reflectance. The observed crossover is a result of a complex loading-level dependence of electric potential felt by the electrons confined to zeolite cages, where the electronic correlations and disorder both play an important role. PMID:26725368

Schottky Barrier Height Engineering for Electrical Contacts of Multilayered MoS2 Transistors with Reduction of Metal-Induced Gap States.

PubMed

Kim, Gwang-Sik; Kim, Seung-Hwan; Park, June; Han, Kyu Hyun; Kim, Jiyoung; Yu, Hyun-Yong

2018-06-06

The difficulty in Schottky barrier height (SBH) control arising from Fermi-level pinning (FLP) at electrical contacts is a bottleneck in designing high-performance nanoscale electronics and optoelectronics based on molybdenum disulfide (MoS 2 ). For electrical contacts of multilayered MoS 2 , the Fermi level on the metal side is strongly pinned near the conduction-band edge of MoS 2 , which makes most MoS 2 -channel field-effect transistors (MoS 2 FETs) exhibit n-type transfer characteristics regardless of their source/drain (S/D) contact metals. In this work, SBH engineering is conducted to control the SBH of electrical top contacts of multilayered MoS 2 by introducing a metal-interlayer-semiconductor (MIS) structure which induces the Fermi-level unpinning by a reduction of metal-induced gap states (MIGS). An ultrathin titanium dioxide (TiO 2 ) interlayer is inserted between the metal contact and the multilayered MoS 2 to alleviate FLP and tune the SBH at the S/D contacts of multilayered MoS 2 FETs. A significant alleviation of FLP is demonstrated as MIS structures with 1 nm thick TiO 2 interlayers are introduced into the S/D contacts. Consequently, the pinning factor ( S) increases from 0.02 for metal-semiconductor (MS) contacts to 0.24 for MIS contacts, and the controllable SBH range is widened from 37 meV (50-87 meV) to 344 meV (107-451 meV). Furthermore, the Fermi-level unpinning effect is reinforced as the interlayer becomes thicker. This work widens the scope for modifying electrical characteristics of contacts by providing a platform to control the SBH through a simple process as well as understanding of the FLP at the electrical top contacts of multilayered MoS 2 .

Electronic structure and energetics of the tetragonal distortion for TiH2, ZrH2 and HfH2: a first principles study

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

Quijano, Ramiro; DeCoss, Romeo; Singh, David J

2009-01-01

The electronic structure and energetics of the tetragonal distortion for the fluorite-type dihydrides TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} are studied by means of highly accurate first-principles total-energy calculations. For HfH{sub 2}, in addition to the calculations using the scalar relativistic (SR) approximation, calculations including the spin-orbit coupling have also been performed. The results show that TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} in the cubic phase are unstable against tetragonal strain. For the three systems, the total energy shows two minima as a function of the c/a ratio with the lowest-energy minimum at c/a < 1 in agreementmore » with the experimental observations. The band structure of TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} (SR) around the Fermi level shows two common features along the two major symmetry directions of the Brillouin zone, {Lambda}?L and {Lambda}?K, a nearly flat doubly degenerate band, and a van Hove singularity, respectively. In cubic HfH{sub 2} the spin-orbit coupling lifts the degeneracy of the partially filled bands in the {Lambda}?L path, while the van Hove singularity in the {Lambda}?K path remains unchanged. The density of states of the three systems in the cubic phase shows a sharp peak at the Fermi level. We found that the tetragonal distortion produces a strong reduction in the density of states at the Fermi level resulting mainly from the splitting of the doubly-degenerate bands in the {Lambda}?L direction and the shift of the van Hove singularity to above the Fermi level. The validity of the Jahn-Teller model in explaining the tetragonal distortion in this group of dihydrides is discussed.« less

High temperature and low pressure chemical vapor deposition of silicon nitride on AlGaN: Band offsets and passivation studies

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

Reddy, Pramod; Washiyama, Shun; Kaess, Felix

2016-04-14

In this work, we employed X-ray photoelectron spectroscopy to determine the band offsets and interface Fermi level at the heterojunction formed by stoichiometric silicon nitride deposited on Al{sub x}Ga{sub 1-x}N (of varying Al composition “x”) via low pressure chemical vapor deposition. Silicon nitride is found to form a type II staggered band alignment with AlGaN for all Al compositions (0 ≤ x ≤ 1) and present an electron barrier into AlGaN even at higher Al compositions, where E{sub g}(AlGaN) > E{sub g}(Si{sub 3}N{sub 4}). Further, no band bending is observed in AlGaN for x ≤ 0.6 and a reduced band bending (by ∼1 eV in comparison to that atmore » free surface) is observed for x > 0.6. The Fermi level in silicon nitride is found to be at 3 eV with respect to its valence band, which is likely due to silicon (≡Si{sup 0/−1}) dangling bonds. The presence of band bending for x > 0.6 is seen as a likely consequence of Fermi level alignment at Si{sub 3}N{sub 4}/AlGaN hetero-interface and not due to interface states. Photoelectron spectroscopy results are corroborated by current-voltage-temperature and capacitance-voltage measurements. A shift in the interface Fermi level (before band bending at equilibrium) from the conduction band in Si{sub 3}N{sub 4}/n-GaN to the valence band in Si{sub 3}N{sub 4}/p-GaN is observed, which strongly indicates a reduction in mid-gap interface states. Hence, stoichiometric silicon nitride is found to be a feasible passivation and dielectric insulation material for AlGaN at any composition.« less

Effects of Excess Carriers on Charged Defect Concentrations in Wide Bandgap Semiconductors

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

Alberi, Kirstin M; Scarpulla, Michael A.

Unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation enthalpy of a charged defect depends linearly on the Fermi level, doping limits can be especially pronounced in wide bandgap semiconductors where the Fermi level can vary substantially. Introduction of non-equilibrium carrier concentrations during growth or processing alters the chemical potentials of band carriers and allows populations of charged defects to be modified in ways impossible at thermal equilibrium. We demonstrate that in the presence of excess carriers, the rates of carrier capture and emission involving a defect charge transitionmore » level determine the admixture of electron and hole quasi-Fermi levels involved in the formation enthalpy of non-zero charge defect states. To understand the range of possible responses, we investigate the behavior of a single donor-like defect as functions of extrinsic doping and charge transition level energy. We find that that excess carriers will increase the formation enthalpy of compensating defects for most values of the charge transition level in the bandgap. Thus, it may be possible to use non-equilibrium carrier concentrations to overcome limitations on doping imposed by native defects. Cases also exist in which the concentration of defects with the same charge polarity as the majority dopant is either left unchanged or actually increases. This surprising effect arises when emission rates are suppressed relative to the capture rates and is most pronounced in wide bandgap semiconductors. We provide guidelines for carrying out experimental tests of this model.« less

Effects of excess carriers on charged defect concentrations in wide bandgap semiconductors

NASA Astrophysics Data System (ADS)

Alberi, Kirstin; Scarpulla, Michael A.

2018-05-01

Unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation enthalpy of a charged defect depends linearly on the Fermi level, doping limits can be especially pronounced in wide bandgap semiconductors where the Fermi level can vary substantially. Introduction of non-equilibrium carrier concentrations during growth or processing alters the chemical potentials of band carriers and allows populations of charged defects to be modified in ways impossible at thermal equilibrium. We demonstrate that in the presence of excess carriers, the rates of carrier capture and emission involving a defect charge transition level determine the admixture of electron and hole quasi-Fermi levels involved in the formation enthalpy of non-zero charge defect states. To understand the range of possible responses, we investigate the behavior of a single donor-like defect as functions of extrinsic doping and charge transition level energy. We find that that excess carriers will increase the formation enthalpy of compensating defects for most values of the charge transition level in the bandgap. Thus, it may be possible to use non-equilibrium carrier concentrations to overcome limitations on doping imposed by native defects. Cases also exist in which the concentration of defects with the same charge polarity as the majority dopant is either left unchanged or actually increases. This surprising effect arises when emission rates are suppressed relative to the capture rates and is most pronounced in wide bandgap semiconductors. We provide guidelines for carrying out experimental tests of this model.

Weakly Interacting Symmetric and Anti-Symmetric States in the Bilayer Systems

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Tomaka, G.; Ploch, D.

We have studied the parallel magneto-transport in DQW-structures of two different potential shapes: quasi-rectangular and quasi-triangular. The quantum beats effect was observed in Shubnikov-de Haas (SdH) oscillations for both types of the DQW structures in perpendicular magnetic filed arrangement. We developed a special scheme for the Landau levels energies calculation by means of which we carried out the necessary simulations of beating effect. In order to obtain the agreement between our experimental data and the results of simulations, we introduced two different quasi-Fermi levels which characterize symmetric and anti-symmetric states in DQWs. The existence of two different quasi Fermi-Levels simply means, that one can treat two sub-systems (charge carriers characterized by symmetric and anti-symmetric wave functions) as weakly interacting and having their own rate of establishing the equilibrium state.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory

NASA Astrophysics Data System (ADS)

Jia, Weile; Lin, Lin

2017-10-01

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory.

PubMed

Jia, Weile; Lin, Lin

2017-10-14

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Fermi observations of the very hard gamma-ray blazar PG 1553+113

DOE PAGES

Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

2009-12-22

Here, we report the observations of PG 1553+113 during the first ~ 200 days of Fermi Gamma-ray Space Telescope science operations, from 2008 August 4 to 2009 February 22 (MJD 54682.7-54884.2). This is the first detailed study of PG 1553+113 in the GeV gamma-ray regime and it allows us to fill a gap of three decades in energy in its spectral energy distribution (SED). We find PG 1553+113 to be a steady source with a hard spectrum that is best fit by a simple power law in the Fermi energy band. We combine the Fermi data with archival radio, optical,more » X-ray, and very high energy (VHE) gamma-ray data to model its broadband SED and find that a simple, one-zone synchrotron self-Compton model provides a reasonable fit. PG 1553+113 has the softest VHE spectrum of all sources detected in that regime and, out of those with significant detections across the Fermi energy bandpass so far, the hardest spectrum in that energy regime. Thus, it has the largest spectral break of any gamma-ray source studied to date, which could be due to the absorption of the intrinsic gamma-ray spectrum by the extragalactic background light (EBL). Assuming this to be the case, we selected a model with a low level of EBL and used it to absorb the power-law spectrum from PG 1553+113 measured with Fermi (200 MeV-157 GeV) to find the redshift, which gave the best fit to the measured VHE data (90 GeV-1.1 TeV) for this parameterization of the EBL. We show that this redshift can be considered an upper limit on the distance to PG 1553+113.« less

PKS 2123-463: A Confirmed Gamma-ray Blazar at High Redshift

NASA Technical Reports Server (NTRS)

DAmmando, F.; Rau, A.; Schady, P.; Finke, J.; Orienti, M.; Greiner, J.; Kann, D. A.; Ojha, R.; Foley, A. R.; Stevens, J.;

From ultracold Fermi Gases to Neutron Stars

NASA Astrophysics Data System (ADS)

Salomon, Christophe

2012-02-01

Ultracold dilute atomic gases can be considered as model systems to address some pending problem in Many-Body physics that occur in condensed matter systems, nuclear physics, and astrophysics. We have developed a general method to probe with high precision the thermodynamics of locally homogeneous ultracold Bose and Fermi gases [1,2,3]. This method allows stringent tests of recent many-body theories. For attractive spin 1/2 fermions with tunable interaction (^6Li), we will show that the gas thermodynamic properties can continuously change from those of weakly interacting Cooper pairs described by Bardeen-Cooper-Schrieffer theory to those of strongly bound molecules undergoing Bose-Einstein condensation. First, we focus on the finite-temperature Equation of State (EoS) of the unpolarized unitary gas. Surprisingly, the low-temperature properties of the strongly interacting normal phase are well described by Fermi liquid theory [3] and we localize the superfluid phase transition. A detailed comparison with theories including recent Monte-Carlo calculations will be presented. Moving away from the unitary gas, the Lee-Huang-Yang and Lee-Yang beyond-mean-field corrections for low density bosonic and fermionic superfluids are quantitatively measured for the first time. Despite orders of magnitude difference in density and temperature, our equation of state can be used to describe low density neutron matter such as the outer shell of neutron stars. [4pt] [1] S. Nascimbène, N. Navon, K. Jiang, F. Chevy, and C. Salomon, Nature 463, 1057 (2010) [0pt] [2] N. Navon, S. Nascimbène, F. Chevy, and C. Salomon, Science 328, 729 (2010) [0pt] [3] S. Nascimbène, N. Navon, S. Pilati, F. Chevy, S. Giorgini, A. Georges, and C. Salomon, Phys. Rev. Lett. 106, 215303 (2011)

Time-Domain Astronomy with the Fermi GBM

NASA Technical Reports Server (NTRS)

Hui, C. M.

2017-01-01

The Fermi Gamma-ray Burst Monitor (GBM) is an all-sky monitoring instrument sensitive to energies from 8 kiloelectronvolts to 40 megaelectronvolts. Over the past 8 years of operation, the GBM has detected over 240 gamma-ray bursts per year and provided timely GCN (Gamma-ray Coordinates Network) notices with localization to few-degree accuracy for follow-up observations. In addition to GRBs, galactic transients, solar flares, and terrestrial gamma-ray flashes have also been observed. In recent years we have also been searching the continuous GBM data for electromagnetic counterpart to astrophysical neutrinos and gravitational wave events, as these are believed to be associated with gamma-ray bursts. With continuous data downlink every few hours and a temporal resolution of 2 microseconds, GBM is well suited for observing transients and supporting EM followup in the era of multi-messenger astronomy.

Time-Domain Astronomy with the Fermi GBM

NASA Technical Reports Server (NTRS)

Hui, C. M.

2017-01-01

The Fermi Gamma-ray Burst Monitor (GBM) is an all-sky monitoring instrument sensitive to energies from 8 keV to 40 MeV. Over the past 8 years of operation, the GBM has detected over 240 gamma-ray bursts per year and provided timely GCN notices with localization to few-degree accuracy for follow-up observations. In addition to GRBs, Galactic transients, solar flares, and terrestrial gamma-ray flashes have also been observed. In recent years we have also been searching the continuous GBM data for electromagnetic counterpart to astrophysical neutrinos and gravitational wave events, as these are believed to be associated with gamma-ray bursts. With continuous data downlink every few hours and a temporal resolution of 2 microseconds, GBM is well suited for observing transients and supporting EM follow-up in the era of multi-messenger astronomy.

Fermiology of Ce2 Rh3 Ge5

NASA Astrophysics Data System (ADS)

Wartenbe, Mark

The competition between localized and delocalized f electrons in heavy fermion materials produces a wide variety of interesting physical phenomena. Among these compounds is Ce2Rh3Ge5. This heavy-fermion system undergoes an antiferromagnetic transition below 4K and exhibits an angle dependent magnetic phase transition around 25 tesla. In addition, RF conductivity measurements in pulsed field (65T) have revealed quantum oscillations. Temperature dependence at fixed angle indicates relatively heavy effective masses of values ranging from ~3me on up to ~10me. This indicates that the narrow f-electron density of states is partially hybridized close to the Fermi energy, but also places strict cryogenic constraints upon the measurement (3Helium temperatures are required). Fermi surface calculations have produced complex figures which lend validation to such rich behavior. Presented are updated measurements including magnetization and revised theoretical calculations..

Nonmagnetic impurity resonances as a signature of sign-reversal pairing in FeAs-based superconductors.

PubMed

Zhang, Degang

2009-10-30

The energy band structure of FeAs-based superconductors is fitted by a tight-binding model with two Fe ions per unit cell and two degenerate orbitals per Fe ion. Based on this, superconductivity with extended s-wave pairing symmetry of the form cosk(x)+cosk(y) is examined. The local density of states near an impurity is also investigated by using the T-matrix approach. For the nonmagnetic scattering potential, we found that there exist two major resonances inside the gap. The height of the resonance peaks depends on the strength of the impurity potential. These in-gap resonances are originated in the Andreev's bound states due to the quasiparticle scattering between the hole Fermi surfaces around Gamma point with positive order parameter and the electron Fermi surfaces around M point with negative order parameter.

Non-Fermi Liquid Behavior and Continuously Tunable Resistivity Exponents in the Anderson-Hubbard Model at Finite Temperature

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

Patel, Niravkumar D.; Mukherjee, Anamitra; Kaushal, Nitin

Here, we employ a recently developed computational many-body technique to study for the first time the half-filled Anderson-Hubbard model at finite temperature and arbitrary correlation U and disorder V strengths. Interestingly, the narrow zero temperature metallic range induced by disorder from the Mott insulator expands with increasing temperature in a manner resembling a quantum critical point. Our study of the resistivity temperature scaling T α for this metal reveals non-Fermi liquid characteristics. Moreover, a continuous dependence of α on U and V from linear to nearly quadratic is observed. We argue that these exotic results arise from a systematic changemore » with U and V of the “effective” disorder, a combination of quenched disorder and intrinsic localized spins.« less

Information scrambling at an impurity quantum critical point

NASA Astrophysics Data System (ADS)

Dóra, Balázs; Werner, Miklós Antal; Moca, Cǎtǎlin Paşcu

2017-10-01

The two-channel Kondo impurity model realizes a local non-Fermi-liquid state with finite residual entropy. The competition between the two channels drives the system to an impurity quantum critical point. We show that the out-of-time-ordered (OTO) commutator for the impurity spin reveals markedly distinct behavior depending on the low-energy impurity state. For the one-channel Kondo model with Fermi-liquid ground state, the OTO commutator vanishes for late times, indicating the absence of the butterfly effect. For the two channel case, the impurity OTO commutator is completely temperature independent and saturates quickly to its upper bound 1/4, and the butterfly effect is maximally enhanced. These compare favorably to numerics on spin chain representation of the Kondo model. Our results imply that a large late time value of the OTO commutator does not necessarily diagnose quantum chaos.

Search for gamma-ray emission from the nearby dwarf spheroidal galaxies with 9 years of Fermi-LAT data

NASA Astrophysics Data System (ADS)

Li, Shang; Duan, Kai-Kai; Liang, Yun-Feng; Xia, Zi-Qing; Shen, Zhao-Qiang; Li, Xiang; Liao, Neng-Hui; Feng, Lei; Yuan, Qiang; Fan, Yi-Zhong; Chang, Jin

2018-06-01

In this work, we search for γ -ray emission from nearby Milky Way dwarf spheroidal galaxies (dSphs) and candidates with the publicly available Pass 8 data of Fermi-LAT. Our sample includes 12 sources with the distances <50 kpc . Very weak γ -ray excesses (˜2 σ ) are found in some dSphs/candidates, consistent with those reported in the previous literature. Intriguingly, the peak test statistic (TS) value of the weak emission from Reticulum II rises continually. If interpreted as dark matter (DM) annihilation, the peak TS value is 13.5 for the annihilation channel of χ χ →τ+τ- and the DM mass of mχ˜16 GeV . The combination of all these nearby sources yields a more significant (with local significance >4 σ ) γ -ray signal.

Electronic structure reconstruction across the antiferromagnetic transition in TaFe₁̣₂₃Te₃ spin ladder

DOE PAGES

Xu, Min; Wang, Li -Min; Peng, Rui; ...

2015-02-01

With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe₁̣₂₃Te₃, a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is observed, with sizable inter-ladder hopping. Moreover, instead of observing an energy gap at the Fermi surface in the antiferromagnetic state, we observed the shifts of various bands. Combining these observations with density-functional-theory calculations, we propose that the large scale reconstruction of the electronic structure, caused by the interactions between coexisting itinerant electrons and local moments, is most likely the driving force of the magnetic transition. Thus TaFe₁̣₂₃Te₃ serves as a simpler platform that containsmore » similar ingredients as the parent compounds of iron-based superconductors.« less

Thomas-Fermi model for a bulk self-gravitating stellar object in two dimensions

NASA Astrophysics Data System (ADS)

De, Sanchari; Chakrabarty, Somenath

2015-09-01

In this article we have solved a hypothetical problem related to the stability and gross properties of two-dimensional self-gravitating stellar objects using the Thomas-Fermi model. The formalism presented here is an extension of the standard three-dimensional problem discussed in the book on statistical physics, Part I by Landau and Lifshitz. Further, the formalism presented in this article may be considered a class problem for post-graduate-level students of physics or may be assigned as a part of their dissertation project.

Magnetoresistance of a nanostep junction based on topological insulators

NASA Astrophysics Data System (ADS)

Hu, Wei; Hong, Jin-Bin; Zhai, Feng

2018-06-01

We investigate ballistic transport of helical electrons in a three-dimensional topological insulator traversing a nanostep junction. We find that a magnetic field perpendicular to its side surface shrinks the phase space for transmission, leading to magnetoresistance for the Fermi energy close to the Dirac point of the top surface. We also find transmission resonances and suppression of the Fano factor due to Landau-level-related quasibound states. The transmission blockade in the off-resonance case can result in a huge magnetoresistance for Fermi energy higher than the Dirac point of the side surface.

Pair Creation Transparency in Gamma-Ray Pulsars

NASA Astrophysics Data System (ADS)

Story, Sarah A.

Pulsars are rapidly rotating, highly magnetized neutron stars that produce photon pulses in energies from radio to gamma-rays. The population of known gamma-ray pulsars has been increased nearly twenty-fold in the past six years since the launch of the Fermi Gamma-Ray Space Telescope; it now exceeds 145 sources and has defined an important part of Fermi's science legacy. In order to understand the detectability of pulsars in gamma-rays, it is important to consider not only the radiative mechanisms that produce gamma-rays, but the processes that can attenuate photons before they can leave the pulsar magnetosphere. Here I explore two such processes, one-photon magnetic pair creation and two-photon pair creation. Magnetic pair creation has been at the core of radio pulsar paradigms and central to polar cap models of gamma-ray pulsars for over three decades. Among the population characteristics well established for Fermi pulsars is the common occurrence of exponential turnovers in the spectra in the 1-10 GeV range. These turnovers are too gradual to arise from magnetic pair creation in the strong magnetic fields of pulsar inner magnetospheres. By demanding insignificant photon attenuation precipitated by such single-photon pair creation, the energies of these turnovers for Fermi pulsars can be used to compute lower bounds for the typical altitude of GeV band emission. In this thesis, I explore such pair transparency constraints below the turnover energy and update earlier altitude bound determinations that have been deployed in various gamma-ray pulsar papers by the Fermi-LAT collaboration. For low altitude emission locales, general relativistic influences are found to be important, increasing cumulative opacity, shortening the photon attenuation lengths, and also reducing the maximum energy that permits escape of photons from a neutron star magnetosphere. Rotational aberration influences are also explored, and are found to be small at low altitudes, except near the magnetic pole. Our analysis clearly demonstrates that including near-threshold physics in the pair creation rate is essential to deriving accurate attenuation lengths and escape energies. The altitude bounds we compute for Fermi pulsars are typically in the range of 2-7 stellar radii and provide key information on the emission altitude in radio quiet pulsars that do not possess double peaked pulse profiles. The bound for the Crab pulsar is at a much higher altitude, with the detection by the atmospheric Cherenkov telescope MAGIC out to 350-400 GeV implying a lower bound of 310 km to the emission region, i.e., approximately 20% of the light cylinder radius. These results are also extended to the super-critical field domain, where it is found that emission in magnetars originating below around 10 stellar radii will not appear in the Fermi-LAT band. Two-photon pair creation becomes important at high altitudes and for photons produced by curvature radiation from charges flowing downward along magnetic field lines. Because the efficiency of two-photon pair creation does not depend on the local magnetic field strength, it can continue to be active in the weak-field regions far from the neutron star. It is found that two-photon pair creation can strongly attenuate photons emitted from downward-traveling charges except at very high altitudes of emission, but in the absence of rotational aberration, it is unable to produce significant opacity for upward-traveling charges unless unrealistically high neutron star surface temperatures are assumed.

Large optical conductivity of Dirac semimetal Fermi arc surface states

NASA Astrophysics Data System (ADS)

Shi, Li-kun; Song, Justin C. W.

2017-08-01

Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light-matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persists as a large Drude weight of Fermi arc carriers when the system is doped. As a result, large and anisotropic Fermi arc conductivity provides a novel means of optically interrogating the topological surfaces states of Dirac semimetals.

Analysis of Deep and Shallow Traps in Semi-Insulating CdZnTe

DOE PAGES

Kim, Kihyun; Yoon, Yongsu; James, Ralph B.

2018-03-13

Trap levels which are deep or shallow play an important role in the electrical and the optical properties of a semiconductor; thus, a trap level analysis is very important in most semiconductor devices. Deep-level defects in CdZnTe are essential in Fermi level pinning at the middle of the bandgap and are responsible for incomplete charge collection and polarization effects. However, a deep level analysis in semi-insulating CdZnTe (CZT) is very difficult. Theoretical capacitance calculation for a metal/insulator/CZT (MIS) device with deep-level defects exhibits inflection points when the donor/acceptor level crosses the Fermi level in the surface-charge layer (SCL). Three CZTmore » samples with different resistivities, 2 × 10 4 (n-type), 2 × 10 6 (p-type), and 2 × 10 10 (p-type) Ω·cm, were used in fabricating the MIS devices. These devices showed several peaks in their capacitance measurements due to upward/downward band bending that depend on the surface potential. In conclusion, theoretical and experimental capacitance measurements were in agreement, except in the fully compensated case.« less

Analysis of Deep and Shallow Traps in Semi-Insulating CdZnTe

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

Kim, Kihyun; Yoon, Yongsu; James, Ralph B.

Trap levels which are deep or shallow play an important role in the electrical and the optical properties of a semiconductor; thus, a trap level analysis is very important in most semiconductor devices. Deep-level defects in CdZnTe are essential in Fermi level pinning at the middle of the bandgap and are responsible for incomplete charge collection and polarization effects. However, a deep level analysis in semi-insulating CdZnTe (CZT) is very difficult. Theoretical capacitance calculation for a metal/insulator/CZT (MIS) device with deep-level defects exhibits inflection points when the donor/acceptor level crosses the Fermi level in the surface-charge layer (SCL). Three CZTmore » samples with different resistivities, 2 × 10 4 (n-type), 2 × 10 6 (p-type), and 2 × 10 10 (p-type) Ω·cm, were used in fabricating the MIS devices. These devices showed several peaks in their capacitance measurements due to upward/downward band bending that depend on the surface potential. In conclusion, theoretical and experimental capacitance measurements were in agreement, except in the fully compensated case.« less

Surprising stability of neutral interstitial hydrogen in diamond and cubic BN

DOE PAGES

Lyons, J. L.; Van de Walle, C. G.

2016-01-21

We report that in virtually all semiconductors and insulators, hydrogen interstitials (H i) act as negative-U centers, implying that hydrogen is never stable in the neutral charge state. Using hybrid density functional calculations, we find a different behavior for H i in diamond and cubic BN. In diamond, H i is a very strong positive-U center, and the H 0 icharge state is stable over a Fermi-level range of more than 2 eV. In cubic BN, a III-V compound similar to diamond, we also find positive-U behavior, though over a much smaller Fermi-level range. Finally, these results highlight the uniquemore » behavior of Hi in these covalent wide-band-gap semiconductors.« less

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

Marchenko, A. V.; Terukov, E. I.; Egorova, A. Yu.

Impurity iron atoms in vitreous arsenic-selenide As{sub 2}Se{sub 3} films modified by iron form one-electron donor centers with an ionization energy of 0.24 (3) eV (the energy is counted from the conduction-band bottom). The Fermi level is shifted with an increase in the iron concentration from the mid-gap to the donorlevel position of iron due to the filling of one-electron states of the acceptor type lying below the Fermi level. At an iron concentration of ≥3 at %, the electron-exchange process is observed between neutral and ionized iron centers resulting in a change both in the electron density and inmore » the tensor of the electric-field gradient at iron-atom nuclei with increasing temperature above 350 K.« less

Experimental evidence of hot carriers solar cell operation in multi-quantum wells heterostructures

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

Rodière, Jean; Lombez, Laurent, E-mail: laurent.lombez@chimie-paristech.fr; Le Corre, Alain

We investigated a semiconductor heterostructure based on InGaAsP multi quantum wells (QWs) using optical characterizations and demonstrate its potential to work as a hot carrier cell absorber. By analyzing photoluminescence spectra, the quasi Fermi level splitting Δμ and the carrier temperature are quantitatively measured as a function of the excitation power. Moreover, both thermodynamics values are measured at the QWs and the barrier emission energy. High values of Δμ are found for both transition, and high carrier temperature values in the QWs. Remarkably, the quasi Fermi level splitting measured at the barrier energy exceeds the absorption threshold of the QWs.more » This indicates a working condition beyond the classical Shockley-Queisser limit.« less

Thermoelectric effect in molecular electronics

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Datta, Supriyo

2003-06-01

We provide a theoretical estimate of the thermoelectric current and voltage over a Phenyldithiol molecule. We also show that the thermoelectric voltage is (1) easy to analyze, (2) insensitive to the detailed coupling to the contacts, (3) large enough to be measured, and (4) give valuable information, which is not readily accessible through other experiments, on the location of the Fermi energy relative to the molecular levels. The location of the Fermi-energy is poorly understood and controversial even though it is a central factor in determining the nature of conduction (n or p type). We also note that the thermoelectric voltage measured over Guanine molecules with a scanning tunneling microscope by Poler et al., indicate conduction through the highest occupied molecular orbital level, i.e., p-type conduction.

Non-extensive quantum statistics with particle-hole symmetry

NASA Astrophysics Data System (ADS)

Biró, T. S.; Shen, K. M.; Zhang, B. W.

2015-06-01

Based on Tsallis entropy (1988) and the corresponding deformed exponential function, generalized distribution functions for bosons and fermions have been used since a while Teweldeberhan et al. (2003) and Silva et al. (2010). However, aiming at a non-extensive quantum statistics further requirements arise from the symmetric handling of particles and holes (excitations above and below the Fermi level). Naive replacements of the exponential function or "cut and paste" solutions fail to satisfy this symmetry and to be smooth at the Fermi level at the same time. We solve this problem by a general ansatz dividing the deformed exponential to odd and even terms and demonstrate that how earlier suggestions, like the κ- and q-exponential behave in this respect.

Fermi GBM Observations of LIGO Gravitational-Wave Event Gw150914

NASA Technical Reports Server (NTRS)

Connaughton, V.; Burns, E.; Goldstein, A.; Blackburn, L.; Briggs, M. S.; Zhang, B.-B.; Camp, J.; Christensen, N.; Hui, C. M.; Jenke, P.;

Fermi -LAT Observations of High-energy Behind-the-limb Solar Flares

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

Ackermann, M.; Buehler, R.; Allafort, A.

2017-02-01

We report on the Fermi -LAT detection of high-energy emission from the behind-the-limb (BTL) solar flares that occurred on 2013 October 11, and 2014 January 6 and September 1. The Fermi -LAT observations are associated with flares from active regions originating behind both the eastern and western limbs, as determined by STEREO . All three flares are associated with very fast coronal mass ejections (CMEs) and strong solar energetic particle events. We present updated localizations of the >100 MeV photon emission, hard X-ray (HXR) and EUV images, and broadband spectra from 10 keV to 10 GeV, as well as microwavemore » spectra. We also provide a comparison of the BTL flares detected by Fermi -LAT with three on-disk flares and present a study of some of the significant quantities of these flares as an attempt to better understand the acceleration mechanisms at work during these occulted flares. We interpret the HXR emission to be due to electron bremsstrahlung from a coronal thin-target loop top with the accelerated electron spectra steepening at semirelativistic energies. The >100 MeV gamma-rays are best described by a pion-decay model resulting from the interaction of protons (and other ions) in a thick-target photospheric source. The protons are believed to have been accelerated (to energies >10 GeV) in the CME environment and precipitate down to the photosphere from the downstream side of the CME shock and landed on the front side of the Sun, away from the original flare site and the HXR emission.« less

Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept.

PubMed

Gonzalez-Vazquez, J P; Anta, Juan A; Bisquert, Juan

2009-11-28

The random walk numerical simulation (RWNS) method is used to compute diffusion coefficients for hopping transport in a fully disordered medium at finite carrier concentrations. We use Miller-Abrahams jumping rates and an exponential distribution of energies to compute the hopping times in the random walk simulation. The computed diffusion coefficient shows an exponential dependence with respect to Fermi-level and Arrhenius behavior with respect to temperature. This result indicates that there is a well-defined transport level implicit to the system dynamics. To establish the origin of this transport level we construct histograms to monitor the energies of the most visited sites. In addition, we construct "corrected" histograms where backward moves are removed. Since these moves do not contribute to transport, these histograms provide a better estimation of the effective transport level energy. The analysis of this concept in connection with the Fermi-level dependence of the diffusion coefficient and the regime of interest for the functioning of dye-sensitised solar cells is thoroughly discussed.

Searching the Gamma-Ray Sky for Counterparts to Gravitational Wave Sources Fermi Gamma-Ray Burst Monitor and Large Area Telescope Observations of LVT151012 and GW151226

NASA Technical Reports Server (NTRS)

Racusin, J. L.; Burns, E.; Goldstein, A.; Connaughton, V.; Wilson-Hodge, C. A.; Jenke, P.; Blackburn, L.; Briggs, M. S.; Broida, J.; Camp, J.;

Searching the Gamma-Ray Sky for Counterparts to Gravitational Wave Sources: FERMI Gamma Ray Burst MONITO R and Large Area Telescope Observations of LVT151012 and GW151226

DOE PAGES

Racusin, J. L.; Burns, E.; Goldstein, A.; ...

2017-01-19

Here, we present the Fermi Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT) observations of the LIGO binary black hole merger event GW151226 and candidate LVT151012. At the time of the LIGO triggers on LVT151012 and GW151226, GBM was observing 68% and 83% of the localization regions, and LAT was observing 47% and 32%, respectively. No candidate electromagnetic counterparts were detected by either the GBM or LAT. We present a detailed analysis of the GBM and LAT data over a range of timescales from seconds to years, using automated pipelines and new techniques for characterizing the flux upper boundsmore » across large areas of the sky. Finally, due to the partial GBM and LAT coverage of the large LIGO localization regions at the trigger times for both events, differences in source distances and masses, as well as the uncertain degree to which emission from these sources could be beamed, these non-detections cannot be used to constrain the variety of theoretical models recently applied to explain the candidate GBM counterpart to GW150914.« less

Optical Interface States Protected by Synthetic Weyl Points

NASA Astrophysics Data System (ADS)

Wang, Qiang; Xiao, Meng; Liu, Hui; Zhu, Shining; Chan, C. T.

2017-07-01

Weyl fermions have not been found in nature as elementary particles, but they emerge as nodal points in the band structure of electronic and classical wave crystals. Novel phenomena such as Fermi arcs and chiral anomaly have fueled the interest in these topological points which are frequently perceived as monopoles in momentum space. Here, we report the experimental observation of generalized optical Weyl points inside the parameter space of a photonic crystal with a specially designed four-layer unit cell. The reflection at the surface of a truncated photonic crystal exhibits phase vortexes due to the synthetic Weyl points, which in turn guarantees the existence of interface states between photonic crystals and any reflecting substrates. The reflection phase vortexes have been confirmed for the first time in our experiments, which serve as an experimental signature of the generalized Weyl points. The existence of these interface states is protected by the topological properties of the Weyl points, and the trajectories of these states in the parameter space resembles those of Weyl semimetal "Fermi arc surface states" in momentum space. Tracing the origin of interface states to the topological character of the parameter space paves the way for a rational design of strongly localized states with enhanced local field.

SEARCHING THE GAMMA-RAY SKY FOR COUNTERPARTS TO GRAVITATIONAL WAVE SOURCES: FERMI GAMMA-RAY BURST MONITO R AND LARGE AREA TELESCOPE OBSERVATIONS OF LVT151012 AND GW151226

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

Racusin, J. L.; Camp, J.; Singer, L.

2017-01-20

We present the Fermi Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT) observations of the LIGO binary black hole merger event GW151226 and candidate LVT151012. At the time of the LIGO triggers on LVT151012 and GW151226, GBM was observing 68% and 83% of the localization regions, and LAT was observing 47% and 32%, respectively. No candidate electromagnetic counterparts were detected by either the GBM or LAT. We present a detailed analysis of the GBM and LAT data over a range of timescales from seconds to years, using automated pipelines and new techniques for characterizing the flux upper bounds acrossmore » large areas of the sky. Due to the partial GBM and LAT coverage of the large LIGO localization regions at the trigger times for both events, differences in source distances and masses, as well as the uncertain degree to which emission from these sources could be beamed, these non-detections cannot be used to constrain the variety of theoretical models recently applied to explain the candidate GBM counterpart to GW150914.« less

Effects of Shock and Turbulence Properties on Electron Acceleration

NASA Astrophysics Data System (ADS)

Qin, G.; Kong, F.-J.; Zhang, L.-H.

2018-06-01

Using test particle simulations, we study electron acceleration at collisionless shocks with a two-component model turbulent magnetic field with slab component including dissipation range. We investigate the importance of the shock-normal angle θ Bn, magnetic turbulence level {(b/{B}0)}2, and shock thickness on the acceleration efficiency of electrons. It is shown that at perpendicular shocks the electron acceleration efficiency is enhanced with the decrease of {(b/{B}0)}2, and at {(b/{B}0)}2=0.01 the acceleration becomes significant due to a strong drift electric field with long time particles staying near the shock front for shock drift acceleration (SDA). In addition, at parallel shocks the electron acceleration efficiency is increasing with the increase of {(b/{B}0)}2, and at {(b/{B}0)}2=10.0 the acceleration is very strong due to sufficient pitch-angle scattering for first-order Fermi acceleration, as well as due to the large local component of the magnetic field perpendicular to the shock-normal angle for SDA. On the other hand, the high perpendicular shock acceleration with {(b/{B}0)}2=0.01 is stronger than the high parallel shock acceleration with {(b/{B}0)}2=10.0, the reason might be the assumption that SDA is more efficient than first-order Fermi acceleration. Furthermore, for oblique shocks, the acceleration efficiency is small no matter whether the turbulence level is low or high. Moreover, for the effect of shock thickness on electron acceleration at perpendicular shocks, we show that there exists the bendover thickness, L diff,b. The acceleration efficiency does not noticeably change if the shock thickness is much smaller than L diff,b. However, if the shock thickness is much larger than L diff,b, the acceleration efficiency starts to drop abruptly.

DFT calculations of strain and interface effects on electronic structures and magnetic properties of L10-FePt/Ag heterojunction of GMR applications

NASA Astrophysics Data System (ADS)

Pramchu, Sittichain; Jaroenjittichai, Atchara Punya; Laosiritaworn, Yongyut

2018-03-01

In this work, density functional theory (DFT) was employed to investigate the effect of strain and interface on electronic structures and magnetic properties of L10-FePt/Ag heterojunction. Two possible interface structures of L10-FePt(001)/Ag(001), that is, interface between Fe and Ag layers (Fe/Ag) and between Pt and Ag layers (Pt/Ag), were inspected. It was found that Pt/Ag interface is more stable than Fe/Ag interface due to its lower formation energy. Further, under the lattice mismatch induced tensile strain, the enhancement of magnetism for both Fe/Ag and Pt/Ag interface structures has been found to have progressed, though the magnetic moments of "interfacial" Fe and Pt atoms have been found to have decreased. To explain this further, the local density of states (LDOS) analysis suggests that interaction between Fe (Pt) and Ag near Fe/Ag (Pt/Ag) interface leads to spin symmetry breaking of the Ag atom and hence induces magnetism magnitude. In contrast, the magnetic moments of interfacial Fe and Pt atoms reduce because of the increase in the electronic states near the Fermi level of the minority-spin electrons. In addition, the significant enhancements of the LDOS near the Fermi levels of the minority-spin electrons signify the boosting of the transport properties of the minority-spin electrons and hence the spin-dependent electron transport at this ferromagnet/metal interface. From this work, it is expected that this clarification of the interfacial magnetism may inspire new innovation on how to improve spin-dependent electron transport for enhancing the giant magnetoresistance (GMR) ratio of potential GMR-based spintronic devices.

Investigation on structure, electronic and magnetic properties of Cr doped (ZnO)12 clusters: First-principles calculations

NASA Astrophysics Data System (ADS)

Liu, Huan; Zhang, Jian-Min

2018-05-01

The structural, electronic, and magnetic properties of (ZnO)12 clusters doped with Cr atoms have been investigated by using spin-polarized first-principles calculations. The exohedral a3 isomer is favorable than endohedral a2 isomer. The isomer a1 and a5 respectively have the narrowest and biggest gap between highest unoccupied molecular orbital and the lowest unoccupied molecular orbital (HOMO-LUMO) of 0.473 and 1.291 eV among these five monodoped isomers. The magnetic moment may be related to the local environment around the Cr atom that the a2 isomer whose total magnetic moment is 6 μB while the other monodoped isomers which all isomers have nearly total magnetic moments 4 μB . For Cr-doped (ZnO)12 on a1 or a3 isomer, the DOS of spin-up channel cross the Fermi level EF showing a finite magnitude near the Fermi level which might be useful for half metallic character. For the bidoped cases, the exohedral isomers are found to be most favorable. Including all bipoed isomers of substitutional, exohedral and endohedral bidoped clusters, the total magnetic moment of the ferromagnetic (antiferromagnetic) state is 8 (0) μB and the HOMO-LUMO gap of antiferromagnetic state is slightly larger than that of ferromagnetic state. The magnetic coupling between the Cr atoms in bidoped configurations is mainly governed by the competition between direct Cr and Cr atoms antiferromagnetic interaction and the ferromagnetic interaction between two Cr atoms via O atom due to strong p-d hybridization. Most importantly, we show that the exohedral bidoped (ZnO)12 clusters favor the ferromagnetic state, which may have the future applications in spin-dependent magneto-optical and magneto-electrical devices.

Quantum Degeneracy in Atomic Point Contacts Revealed by Chemical Force and Conductance

NASA Astrophysics Data System (ADS)

Sugimoto, Yoshiaki; Ondráček, Martin; Abe, Masayuki; Pou, Pablo; Morita, Seizo; Perez, Ruben; Flores, Fernando; Jelínek, Pavel

2013-09-01

Quantum degeneracy is an important concept in quantum mechanics with large implications to many processes in condensed matter. Here, we show the consequences of electron energy level degeneracy on the conductance and the chemical force between two bodies at the atomic scale. We propose a novel way in which a scanning probe microscope can detect the presence of degenerate states in atomic-sized contacts even at room temperature. The tunneling conductance G and chemical binding force F between two bodies both tend to decay exponentially with distance in a certain distance range, usually maintaining direct proportionality G∝F. However, we show that a square relation G∝F2 arises as a consequence of quantum degeneracy between the interacting frontier states of the scanning tip and a surface atom. We demonstrate this phenomenon on the Si(111)-(7×7) surface reconstruction where the Si adatom possesses a strongly localized dangling-bond state at the Fermi level.

Superconducting materials with electron pairs localized on lattice ions

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

Moizhes, B.Y.; Drabkin, I.A.

1983-07-01

We propose the following classification scheme for superconductors, depending on the probable type of electron--electron interaction: A) Semiconductors containing impurities with negative Hubbard energy in which pairs exist in r-space when T>T/sub c/: Pb/sub 1-x/Tl/sub x/Te, Ba(Pb/sub 1-x/Bi/sub x/)O/sub 3/xxx. In this case the superconducting phase transition must compete with the ordering of ions having different charges: Pb/sub 1-x/In/sub x/Te. B) Metals near the metal--insulator transition with virtual two-electron levels near the Fermi level: Na/sub x/WO/sub 3/. C) Metals containing ''active'' atoms (ions) with an odd number of electrons and a small Hubbard energy. We suggest that the contribution ofmore » diamagnetic polar configurations to the total energy of the metal can increase when coherent states are formed: Nb, La/sub 3/S/sub 4/, Nb/sub 1-x/Ti/sub x/xxx.« less

Temperature dependence of the vibrational spectra of acetanilide: Davydov solitons or Fermi coupling?

NASA Astrophysics Data System (ADS)

Johnston, Clifford T.; Swanson, Basil I.

1985-03-01

The unusual temperature dependence of the amide-I region in the IR spectrum of acetanilide (C 6H 5NHCOCH 3) has recently been attributed to a self-trapped Davydov-like soliton. The temperature dependence of the single-crystal Raman scattering, from acetanilide and its ND and 13CO substituted analogs in the phonon and internal mode regions has now been studied. The behavior of the amide-I region in the Raman spectra of the normal isotopic species is similar to that observed earlier in infrared studies. However, on the basis of results obtained from the ND and 13CO substituted species the unusual temperature dependence in the 1650 cm -1 region has been attributed to Fermi coupling of the amide-I fundamental and a combination band involving the in-plane NH deformation and a low-frequency torsional mode. As temperature is lowered, the strong blue-shift of the torsional mode results in a commensurate blue-shift in the combination level thereby increasing the Fermi coupling. Temperature tuning of the Fermi coupling results in the anomalous intensity changes observed in the IR and Raman spectra of the amide-I region for the normal isotopic species.

Fermi arc electronic structure and Chern numbers in the type-II Weyl semimetal candidate Mo x W 1 - x Te 2

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

Belopolski, Ilya; Xu, Su-Yang; Ishida, Yukiaki

2016-08-15

It has recently been proposed that electronic band structures in crystals can give rise to a previously overlooked type of Weyl fermion, which violates Lorentz invariance and, consequently, is forbidden in particle physics. It was further predicted that Mo x W 1 - x Te 2 may realize such a type-II Weyl fermion. Here, we first show theoretically that it is crucial to access the band structure above the Fermi level ε F to show a Weyl semimetal in Mo x W 1 - x Te 2 . Then, we study Mo x W 1 - x Te 2 bymore » pump-probe ARPES and we directly access the band structure > 0.2 eV above ε F in experiment. By comparing our results with ab initio calculations, we conclude that we directly observe the surface state containing the topological Fermi arc. We propose that a future study of Mo x W 1 - x Te 2 by pump-probe ARPES may directly pinpoint the Fermi arc. Our work sets the stage for the experimental discovery of the first type-II Weyl semimetal in Mo x W 1 - x Te 2 .« less

Non-Fermi-liquid nature and exotic thermoelectric power in the heavy-fermion superconductor UBe13

NASA Astrophysics Data System (ADS)

Shimizu, Yusei; Pourret, Alexandre; Knebel, Georg; Palacio-Morales, Alexandra; Aoki, Dai

2015-12-01

We report quite exotic thermoelectric power S in UBe13. At 0 T, the negative S /T continues to strongly enhance down to the superconducting transition temperature with no Fermi-liquid behavior. |S /T | is dramatically suppressed and becomes rather modest with increasing field. We have also obtained precise field dependencies of (i) an anomaly in S due to an exotic Kondo effect and (ii) a field-induced anomaly in S /T associated with the anomalous upward Hc 2(T ) . In contrast to the field-sensitive transport property, the normal-state specific heat is magnetically robust, indicating that the largeness of the 5 f density of states remains in high fields. This unusual behavior in UBe13 can be explained by a considerable change in the energy derivative of the conduction-electron lifetime τc(ɛ ) at the Fermi level under magnetic fields.

Degenerate stars and gravitational collapse in AdS/CFT

NASA Astrophysics Data System (ADS)

Arsiwalla, Xerxes; de Boer, Jan; Papadodimas, Kyriakos; Verlinde, Erik

2011-01-01

We construct composite CFT operators from a large number of fermionic primary fields corresponding to states that are holographically dual to a zero temperature Fermi gas in AdS space. We identify a large N regime in which the fermions behave as free particles. In the hydrodynamic limit the Fermi gas forms a degenerate star with a radius determined by the Fermi level, and a mass and angular momentum that exactly matches the boundary calculations. Next we consider an interacting regime, and calculate the effect of the gravitational back-reaction on the radius and the mass of the star using the Tolman-Oppenheimer-Volkoff equations. Ignoring other interactions, we determine the "Chandrasekhar limit" beyond which the degenerate star (presumably) undergoes gravitational collapse towards a black hole. This is interpreted on the boundary as a high density phase transition from a cold baryonic phase to a hot deconfined phase.

Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference.

PubMed

Lin, Chun-Liang; Arafune, Ryuichi; Liu, Ro-Ya; Yoshimura, Masato; Feng, Baojie; Kawahara, Kazuaki; Ni, Zeyuan; Minamitani, Emi; Watanabe, Satoshi; Shi, Youguo; Kawai, Maki; Chiang, Tai-Chang; Matsuda, Iwao; Takagi, Noriaki

2017-11-28

Weyl semimetals (WSMs) are classified into two types, type I and II, according to the topology of the Weyl point, where the electron and hole pockets touch each other. Tungsten ditelluride (WTe 2 ) has garnered a great deal of attention as a strong candidate to be a type-II WSM. However, the Weyl points for WTe 2 are located above the Fermi level, which has prevented us from identifying the locations and the connection to the Fermi arc surface states by using angle-resolved photoemission spectroscopy. Here, we present experimental proof that WTe 2 is a type-II WSM. We measured energy-dependent quasiparticle interference patterns with a cryogenic scanning tunneling microscope, revealing the position of the Weyl point and its connection with the Fermi arc surface states, in agreement with prior theoretical predictions. Our results provide an answer to this crucial question and stimulate further exploration of the characteristics of WSMs.

Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

PubMed

Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

2016-02-09

We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime.

Discovery of a new type of topological Weyl fermion semimetal state in Mo xW 1-xTe 2

DOE PAGES

Belopolski, Ilya; Sanchez, Daniel S.; Ishida, Yukiaki; ...

2016-12-05

Here, the recent discovery of a Weyl semimetal in TaAs offers the first Weyl fermion observed in nature and dramatically broadens the classification of topological phases. However, in TaAs it has proven challenging to study the rich transport phenomena arising from emergent Weyl fermions. The series Mo xW 1-xTe 2 are inversion-breaking, layered, tunable semimetals already under study as a promising platform for new electronics and recently proposed to host Type II, or strongly Lorentz-violating, Weyl fermions. Here we report the discovery of a Weyl semimetal in Mo xW 1-xTe 2 at x=25%. We use pump-probe angle-resolved photoemission spectroscopy (pump-probemore » ARPES) to directly observe a topological Fermi arc above the Fermi level, demonstrating a Weyl semimetal. The excellent agreement with calculation suggests that Mo xW 1-xTe 2 is a Type II Weyl semimetal. We also find that certain Weyl points are at the Fermi level, making Mo xW 1-xTe 2 a promising platform for transport and optics experiments on Weyl semimetals.« less

Discovery of a new type of topological Weyl fermion semimetal state in Mo xW 1-xTe 2

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

Belopolski, Ilya; Sanchez, Daniel S.; Ishida, Yukiaki

Here, the recent discovery of a Weyl semimetal in TaAs offers the first Weyl fermion observed in nature and dramatically broadens the classification of topological phases. However, in TaAs it has proven challenging to study the rich transport phenomena arising from emergent Weyl fermions. The series Mo xW 1-xTe 2 are inversion-breaking, layered, tunable semimetals already under study as a promising platform for new electronics and recently proposed to host Type II, or strongly Lorentz-violating, Weyl fermions. Here we report the discovery of a Weyl semimetal in Mo xW 1-xTe 2 at x=25%. We use pump-probe angle-resolved photoemission spectroscopy (pump-probemore » ARPES) to directly observe a topological Fermi arc above the Fermi level, demonstrating a Weyl semimetal. The excellent agreement with calculation suggests that Mo xW 1-xTe 2 is a Type II Weyl semimetal. We also find that certain Weyl points are at the Fermi level, making Mo xW 1-xTe 2 a promising platform for transport and optics experiments on Weyl semimetals.« less

The Mott transition in the strong coupling perturbation theory

NASA Astrophysics Data System (ADS)

Sherman, A.

2015-01-01

Using the strong coupling diagram technique a self-consistent equation for the electron Green's function is derived for the repulsive Hubbard model. Terms of two lowest orders of the ratio of the bandwidth Δ to the Hubbard repulsion U are taken into account in the irreducible part of the Larkin equation. The obtained equation is shown to retain causality and reduces to Green's function of uncorrelated electrons in the limit U → 0. Calculations were performed for the semi-elliptical initial band. It is shown that the approximation describes the Mott transition, which occurs at Uc =√{ 3 } Δ / 2. This value coincides with that obtained in the Hubbard-III approximation. At half-filling, for 0 < U Uc the Mott gap disappears.

Tunnel transport and interlayer excitons in bilayer fractional quantum Hall systems

NASA Astrophysics Data System (ADS)

Zhang, Yuhe; Jain, J. K.; Eisenstein, J. P.

2017-05-01

In a bilayer system consisting of a composite-fermion (CF) Fermi sea in each layer, the tunnel current is exponentially suppressed at zero bias, followed by a strong peak at a finite-bias voltage Vmax. This behavior, which is qualitatively different from that observed for the electron Fermi sea, provides fundamental insight into the strongly correlated non-Fermi-liquid nature of the CF Fermi sea and, in particular, offers a window into the short-distance high-energy physics of this highly nontrivial state. We identify the exciton responsible for the peak current and provide a quantitative account of the value of Vmax. The excitonic attraction is shown to be quantitatively significant, and its variation accounts for the increase of Vmax with the application of an in-plane magnetic field. We also estimate the critical Zeeman energy where transition occurs from a fully spin-polarized composite-fermion Fermi sea to a partially spin-polarized one, carefully incorporating corrections due to finite width and Landau level mixing, and find it to be in satisfactory agreement with the Zeeman energy where a qualitative change has been observed for the onset bias voltage [J. P. Eisenstein et al., Phys. Rev. B 94, 125409 (2016), 10.1103/PhysRevB.94.125409]. For fractional quantum Hall states, we predict a substantial discontinuous jump in Vmax when the system undergoes a transition from a fully spin-polarized state to a spin singlet or a partially spin-polarized state.

Electrostatic interactions between ions near Thomas-Fermi substrates and the surface energy of ionic crystals at imperfect metals.

PubMed

Kaiser, V; Comtet, J; Niguès, A; Siria, A; Coasne, B; Bocquet, L

2017-07-01

The electrostatic interaction between two charged particles is strongly modified in the vicinity of a metal. This situation is usually accounted for by the celebrated image charges approach, which was further extended to account for the electronic screening properties of the metal at the level of the Thomas-Fermi description. In this paper we build upon a previous approach [M. A. Vorotyntsev and A. A. Kornyshev, Zh. Eksp. Teor. Fiz., 1980, 78(3), 1008-1019] and successive works to calculate the 1-body and 2-body electrostatic energy of ions near a metal in terms of the Thomas-Fermi screening length. We propose workable approximations suitable for molecular simulations of ionic systems close to metallic walls. Furthermore, we use this framework to calculate analytically the electrostatic contribution to the surface energy of a one dimensional crystal at a metallic wall and its dependence on the Thomas-Fermi screening length. These calculations provide a simple interpretation for the surface energy in terms of image charges, which allows for an estimation of the interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. The counter-intuitive outcome is that electronic screening, as characterized by a molecular Thomas-Fermi length l TF , profoundly affects the wetting of ionic systems close to a metal, in line with the recent experimental observation of capillary freezing of ionic liquids in metallic confinement.

Thermoelectricity in fullerene-metal heterojunctions.

PubMed

Yee, Shannon K; Malen, Jonathan A; Majumdar, Arun; Segalman, Rachel A

2011-10-12

Thermoelectricty in heterojunctions, where a single-molecule is trapped between metal electrodes, has been used to understand transport properties at organic-inorganic interfaces. (1) The transport in these systems is highly dependent on the energy level alignment between the molecular orbitals and the Fermi level (or work function) of the metal contacts. To date, the majority of single-molecule measurements have focused on simple small molecules where transport is dominated through the highest occupied molecular orbital. (2, 3) In these systems, energy level alignment is limited by the absence of electrode materials with low Fermi levels (i.e., large work functions). Alternatively, more controllable alignment between molecular orbitals and the Fermi level can be achieved with molecules whose transport is dominated by the lowest unoccupied molecular orbital (LUMO) because of readily available metals with lower work functions. Herein, we report molecular junction thermoelectric measurements of fullerene molecules (i.e., C(60), PCBM, and C(70)) trapped between metallic electrodes (i.e., Pt, Au, Ag). Fullerene junctions demonstrate the first strongly n-type molecular thermopower corresponding to transport through the LUMO, and the highest measured magnitude of molecular thermopower to date. While the electronic conductance of fullerenes is highly variable, due to fullerene's variable bonding geometries with the electrodes, the thermopower shows predictable trends based on the alignment of the LUMO with the work function of the electrodes. Both the magnitude and trend of the thermopower suggest that heterostructuring organic and inorganic materials at the nanoscale can further enhance thermoelectric performance, therein providing a new pathway for designing thermoelectric materials.

Size effects on rhodium nanoparticles related to hydrogen-storage capability.

PubMed

Song, Chulho; Yang, Anli; Sakata, Osami; Kumara, L S R; Hiroi, Satoshi; Cui, Yi-Tao; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

2018-06-06

To unveil the origin of the hydrogen-storage properties of rhodium nanoparticles (Rh NPs), we investigated the electronic and crystal structures of the Rh NPs using various synchrotron based X-ray techniques. Electronic structure studies revealed that the hydrogen-storage capability of Rh NPs could be attributed to their more unoccupied d-DOSs than that of the bulk near the Fermi level. Crystal structure studies indicated that lattice distortion and mean-square displacement increase while coordination number decreases with decreasing particle size and the hydrogen-absorption capability of Rh NPs improves to a greater extent with increased structural disorder in the local structure than with that in the mean structure. The smallest Rh NPs, having the largest structural disorder/increased vacancy spaces and the smallest coordination number, exhibited excellent hydrogen-storage capacity. Finally, from the bond-orientational order analysis, we confirmed that the localized disordering is distributed more over the surface part than the core part and hydrogen can be trapped on the surface part of Rh NPs which increases with a decrease in NP diameter.

Interplay between hopping and band transport in high-mobility disordered semiconductors at large carrier concentrations: The case of the amorphous oxide InGaZnO

NASA Astrophysics Data System (ADS)

Fishchuk, I. I.; Kadashchuk, A.; Bhoolokam, A.; de Jamblinne de Meux, A.; Pourtois, G.; Gavrilyuk, M. M.; Köhler, A.; Bässler, H.; Heremans, P.; Genoe, J.

2016-05-01

We suggest an analytic theory based on the effective medium approximation (EMA) which is able to describe charge-carrier transport in a disordered semiconductor with a significant degree of degeneration realized at high carrier concentrations, especially relevant in some thin-film transistors (TFTs), when the Fermi level is very close to the conduction-band edge. The EMA model is based on special averaging of the Fermi-Dirac carrier distributions using a suitably normalized cumulative density-of-state distribution that includes both delocalized states and the localized states. The principal advantage of the present model is its ability to describe universally effective drift and Hall mobility in heterogeneous materials as a function of disorder, temperature, and carrier concentration within the same theoretical formalism. It also bridges a gap between hopping and bandlike transport in an energetically heterogeneous system. The key assumption of the model is that the charge carriers move through delocalized states and that, in addition to the tail of the localized states, the disorder can give rise to spatial energy variation of the transport-band edge being described by a Gaussian distribution. It can explain a puzzling observation of activated and carrier-concentration-dependent Hall mobility in a disordered system featuring an ideal Hall effect. The present model has been successfully applied to describe experimental results on the charge transport measured in an amorphous oxide semiconductor, In-Ga-Zn-O (a-IGZO). In particular, the model reproduces well both the conventional Meyer-Neldel (MN) compensation behavior for the charge-carrier mobility and inverse-MN effect for the conductivity observed in the same a-IGZO TFT. The model was further supported by ab initio calculations revealing that the amorphization of IGZO gives rise to variation of the conduction-band edge rather than to the creation of localized states. The obtained changes agree with the one we used to describe the charge transport. We found that the band-edge variation dominates the charge transport in high-quality a-IGZO TFTs in the above-threshold voltage region, whereas the localized states need not to be invoked to account for the experimental results in this material.

Self-energy of an impurity in an ideal Fermi gas to second order in the interaction strength

NASA Astrophysics Data System (ADS)

Trefzger, Christian; Castin, Yvan

2014-09-01

We study in three dimensions the problem of a spatially homogeneous zero-temperature ideal Fermi gas of spin-polarized particles of mass m perturbed by the presence of a single distinguishable impurity of mass M. The interaction between the impurity and the fermions involves only the partial s wave through the scattering length a and has negligible range b compared to the inverse Fermi wave number 1/kF of the gas. Through the interactions with the Fermi gas the impurity gives birth to a quasiparticle, which will be here a Fermi polaron (or more precisely a monomeron). We consider the general case of an impurity moving with wave vector K ≠0: Then the quasiparticle acquires a finite lifetime in its initial momentum channel because it can radiate particle-hole pairs in the Fermi sea. A description of the system using a variational approach, based on a finite number of particle-hole excitations of the Fermi sea, then becomes inappropriate around K =0. We rely thus upon perturbation theory, where the small and negative parameter kFa→0- excludes any branches other than the monomeronic one in the ground state (as, e.g., the dimeronic one), and allows us a systematic study of the system. We calculate the impurity self-energy Σ(2)(K,ω) up to second order included in a. Remarkably, we obtain an analytical explicit expression for Σ(2)(K,ω), allowing us to study its derivatives in the plane (K,ω). These present interesting singularities, which in general appear in the third-order derivatives ∂3Σ(2)(K,ω). In the special case of equal masses, M =m, singularities appear already in the physically more accessible second-order derivatives ∂2Σ(2)(K,ω); using a self-consistent heuristic approach based on Σ(2) we then regularize the divergence of the second-order derivative ∂K2ΔE(K) of the complex energy of the quasiparticle found in Trefzger and Castin [Europhys. Lett. 104, 50005 (2013), 10.1209/0295-5075/104/50005] at K =kF, and we predict an interesting scaling law in the neighborhood of K =kF. As a by product of our theory we have access to all moments of the momentum of the particle-hole pair emitted by the impurity while damping its motion in the Fermi sea at the level of Fermi's golden rule.

Disentangling the Mn moments on different sublattices in the half-metallic ferrimagnet Mn3?xCoxGa

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

Klaer, P.; Jenkins, C.A.; Alijani, V.

2011-05-03

Ferrimagnetic Mn{sub 3-x}Co{sub x}Ga compounds have been investigated by magnetic circular dichroism in x-ray absorption (XMCD). Compounds with x > 0.5 crystallize in the CuHg{sub 2}Ti structure. A tetragonal distortion of the cubic structure occurs for x {le} 0.5. For the cubic phase, magnetometry reveals a linearly increasing magnetization of 2x Bohr magnetons per formula unit obeying the generalized Slater-Pauling rule. XMCD confirms the ferrimagnetic character with Mn atoms occupying two different sublattices with antiparallel spin orientation and different degrees of spin localization and identifies the region 0.6 < x {le} 0.8 as most promising for a high spin polarizationmore » at the Fermi level. Individual Mn moments on inequivalent sites are compared to theoretical predictions.« less

Optimized unconventional superconductivity in a molecular Jahn-Teller metal

PubMed Central

Zadik, Ruth H.; Takabayashi, Yasuhiro; Klupp, Gyöngyi; Colman, Ross H.; Ganin, Alexey Y.; Potočnik, Anton; Jeglič, Peter; Arčon, Denis; Matus, Péter; Kamarás, Katalin; Kasahara, Yuichi; Iwasa, Yoshihiro; Fitch, Andrew N.; Ohishi, Yasuo; Garbarino, Gaston; Kato, Kenichi; Rosseinsky, Matthew J.; Prassides, Kosmas

2015-01-01

Understanding the relationship between the superconducting, the neighboring insulating, and the normal metallic state above Tc is a major challenge for all unconventional superconductors. The molecular A3C60 fulleride superconductors have a parent antiferromagnetic insulator in common with the atom-based cuprates, but here, the C603– electronic structure controls the geometry and spin state of the structural building unit via the on-molecule Jahn-Teller effect. We identify the Jahn-Teller metal as a fluctuating microscopically heterogeneous coexistence of both localized Jahn-Teller–active and itinerant electrons that connects the insulating and superconducting states of fullerides. The balance between these molecular and extended lattice features of the electrons at the Fermi level gives a dome-shaped variation of Tc with interfulleride separation, demonstrating molecular electronic structure control of superconductivity. PMID:26601168

Half-metallic ferromagnetism in substitutionally doped boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-11-01

We perform first-principles molecular dynamics simulations to investigate the magnetoelectronic response of substitutionally doped boronitrene to thermal excitation. We show that the local geometry, size, and edge termination of the substitutional complexes of boron, carbon, or nitrogen determine the thermodynamic stability of the monolayer. We find that hexagonal boron or triangular carbon clusters induce finite magnetic moments with 100% spin-polarized Fermi-level electrons in boronitrene. In such carbon substitutions, the spontaneous magnetic moment increases with the size of the embedded carbon cluster, and results in half-metallic ferrimagnetism above 750 K with a corresponding Curie point of 1250 K, above which the magnetization density vanishes. We predict an ultrahigh temperature half-metallic ferromagnetic phase in impurity-free boronitrene, when any three nearest-neighbor nitrogen atoms are substituted with boron, with unquenched magnetic moment up to its melting point.

Mechanical behavior, electronic and phonon properties of ZrB12 under pressure

NASA Astrophysics Data System (ADS)

Li, Xiao-Hong; Yong, Yong-Liang; Cui, Hong-Ling; Zhang, Rui-Zhou

2018-06-01

The mechanical, phonon and electronic properties of ZrB12 under pressure are investigated by first-principles calculations. The research shows that ZrB12 is mechanically and dynamically stable up to 100 GPa. The elastic constants, bulk modulus B, shear modulus G, hardness Hv, B/G ratio, Debye temperature under different pressures are systematically investigated. The calculation of electronic properties shows that ZrB12 has metallic character. The Zr-d states dominate the DOS at the Fermi level, and the total DOS and PDOS change slightly with the increasing pressure. DOS (Ef) first decreases, then increases with the increasing pressure. At 50 GPa, ZrB12 has less electron carriers. The analysis of electron localization function shows that the strong B-B and Zr-B covalent bonds may be responsible for the high hardness and stability.

Gold-induced nanowires on the Ge(100) surface yield a 2D and not a 1D electronic structure

NASA Astrophysics Data System (ADS)

de Jong, N.; Heimbuch, R.; Eliëns, S.; Smit, S.; Frantzeskakis, E.; Caux, J.-S.; Zandvliet, H. J. W.; Golden, M. S.

2016-06-01

Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, one-dimensional Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of controversy as to whether the Au-induced nanowires do indeed host exotic, 1D (one-dimensional) metallic states. In light of this debate, we report here a thorough study of the electronic properties of high quality nanowires formed at the Au/Ge(100) surface. The high-resolution ARPES data show the low-lying Au-induced electronic states to possess a dispersion relation that depends on two orthogonal directions in k space. Comparison of the E (kx,ky) surface measured using high-resolution ARPES to tight-binding calculations yields hopping parameters in the two different directions that differ by approximately factor of two. Additionally, by pinpointing the Au-induced surface states in the first, second, and third surface Brillouin zones and analyzing their periodicity in k||, the nanowire propagation direction seen clearly in STM can be imported into the ARPES data. We find that the larger of the two hopping parameters corresponds, in fact, to the direction perpendicular to the nanowires (tperp). This proves that the Au-induced electron pockets possess a two-dimensional, closed Fermi surface, and this firmly places the Au/Ge(100) nanowire system outside potential hosts of a Tomonaga-Luttinger liquid. We combine these ARPES data with scanning tunneling spectroscopic measurements of the spatially resolved electronic structure and find that the spatially straight—wirelike—conduction channels observed up to energies of order one electron volt below the Fermi level do not originate from the Au-induced states seen in the ARPES data. The former are rather more likely to be associated with bulk Ge states that are localized to the subsurface region. Despite our proof of the 2D (two-dimentional) nature of the Au-induced nanowire and subsurface Ge-related states, an anomalous suppression of the density of states at the Fermi level is observed in both the STS and ARPES data, and this phenomenon is discussed in the light of the effects of disorder.

Doping dependence of ordered phases and emergent quasiparticles in the doped Hubbard-Holstein model

DOE PAGES

Mendl, C. B.; Nowadnick, E. A.; Huang, E. W.; ...

2017-11-15

Here, we present determinant quantum Monte Carlo simulations of the hole-doped single-band Hubbard-Holstein model on a square lattice, to investigate how quasiparticles emerge when doping a Mott insulator (MI) or a Peierls insulator (PI). The MI regime at large Hubbard interaction U and small relative e-ph coupling strength λ is quickly suppressed upon doping, by drawing spectral weight from the upper Hubbard band and shifting the lower Hubbard band towards the Fermi level, leading to a metallic state with emergent quasiparticles at the Fermi level. On the other hand, the PI regime at large λ and small U persists outmore » to relatively high doping levels. We study the evolution of the d-wave superconducting susceptibility with doping, and find that it increases with lowering temperature in a regime of intermediate values of U and λ.« less

Doping dependence of ordered phases and emergent quasiparticles in the doped Hubbard-Holstein model

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

Mendl, C. B.; Nowadnick, E. A.; Huang, E. W.

Here, we present determinant quantum Monte Carlo simulations of the hole-doped single-band Hubbard-Holstein model on a square lattice, to investigate how quasiparticles emerge when doping a Mott insulator (MI) or a Peierls insulator (PI). The MI regime at large Hubbard interaction U and small relative e-ph coupling strength λ is quickly suppressed upon doping, by drawing spectral weight from the upper Hubbard band and shifting the lower Hubbard band towards the Fermi level, leading to a metallic state with emergent quasiparticles at the Fermi level. On the other hand, the PI regime at large λ and small U persists outmore » to relatively high doping levels. We study the evolution of the d-wave superconducting susceptibility with doping, and find that it increases with lowering temperature in a regime of intermediate values of U and λ.« less

Determination of Carrier Polarity in Fowler-Nordheim Tunneling and Evidence of Fermi Level Pinning at the Hexagonal Boron Nitride/Metal Interface.

PubMed

Hattori, Yoshiaki; Taniguchi, Takashi; Watanabe, Kenji; Nagashio, Kosuke

2018-04-11

Hexagonal boron nitride (h-BN) is an important insulating substrate for two-dimensional (2D) heterostructure devices and possesses high dielectric strength comparable to SiO 2 . Here, we report two clear differences in their physical properties. The first one is the occurrence of Fermi level pinning at the metal/h-BN interface, unlike that at the metal/SiO 2 interface. The second one is that the carrier of Fowler-Nordheim (F-N) tunneling through h-BN is a hole, which is opposite to an electron in the case of SiO 2 . These unique characteristics are verified by I- V measurements in the graphene/h-BN/metal heterostructure device with the aid of a numerical simulation, where the barrier height of graphene can be modulated by a back gate voltage owing to its low density of states. Furthermore, from a systematic investigation using a variety of metals, it is confirmed that the hole F-N tunneling current is a general characteristic because the Fermi levels of metals are pinned in the small energy range around ∼3.5 eV from the top of the conduction band of h-BN, with a pinning factor of 0.30. The accurate energy band alignment at the h-BN/metal interface provides practical knowledge for 2D heterostructure devices.

Sensitivity of Fermi level position at Ga-polar, N-polar, and nonpolar m-plane GaN surfaces to vacuum and air ambient

NASA Astrophysics Data System (ADS)

Janicki, Łukasz; Ramírez-López, Manolo; Misiewicz, Jan; Cywiński, Grzegorz; Boćkowski, Michał; Muzioł, Grzegorz; Chèze, Caroline; Sawicka, Marta; Skierbiszewski, Czesław; Kudrawiec, Robert

2016-05-01

Ga-polar, N-polar, and nonpolar m-plane GaN UN+ structures have been examined in air and vacuum ambient by contactless electroreflectance (CER). This technique is very sensitive to the surface electric field that varies with the Fermi level position at the surface. For UN+ GaN structures [i.e., GaN (undoped)/GaN (n-type)/substrate], a homogeneous built-in electric field is expected in the undoped GaN layer that is manifested by Franz-Keldysh oscillation (FKO) in CER spectra. A clear change in FKO has been observed in CER spectra for N-polar and nonpolar m-plane structures when changing from air to vacuum ambient. This means that those surfaces are very sensitive to ambient atmosphere. In contrast to that, only a small change in FKO can be seen in the Ga-polar structure. This clearly shows that the ambient sensitivity of the Fermi level position at the GaN surface varies with the crystallographic orientation and is very high for N-polar and nonpolar m-plane surfaces. This feature of the N-polar and nonpolar m-plane surfaces can be very important for GaN-based devices grown on these crystallographic orientations and can be utilized in some of the devices, e.g., sensors.

Magnetic states of linear defects in graphene monolayers: Effects of strain and interaction

NASA Astrophysics Data System (ADS)

Alexandre, Simone S.; Nunes, R. W.

2017-08-01

The combined effects of defect-defect interaction and strains of up to 10% on the onset of magnetic states in the quasi-one-dimensional electronic states generated by the so-called 558 linear defect in graphene monolayers are investigated by means of ab initio calculations. Results are analyzed on the basis of the heuristics of the Stoner criterion. We find that conditions for the emergence of magnetic states on the 558 defect can be tuned by uniaxial tensile parallel strains (along the defect direction) as well as by uniaxial compressive perpendicular strains, at both limits of isolated and interacting 558 defects. Parallel tensile strains and perpendicular compressive strains are shown to give rise to two cooperative effects that favor the emergence of itinerant magnetism on the 558 defect in graphene: enhancement of the density of states (DOS) of the resonant defect states in the region of the Fermi level and tuning of the Fermi level to the maximum of the related DOS peak. On the other hand, parallel compressive strains and perpendicular tensile strains are shown to be detrimental to the development of magnetic states in the 558 defect, because in these cases the Fermi level is found to shift away from the maximum of the DOS of the defect states. Effects of isotropic and unisotropic biaxial strains are also analyzed in terms of the conditions encoded in the Stoner criterion.

Constraints on the Galactic Halo Dark Matter from Fermi-LAT Diffuse Measurements

NASA Technical Reports Server (NTRS)

Ackermann, M.; Ajello, M.; Atwood, W. B.; Baldini, L.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.; Blandford, R. D.; Bloom, E. D.;