Van Hove singularities in the paramagnetic phase of the Hubbard model: DMFT study

NASA Astrophysics Data System (ADS)

Žitko, Rok; Bonča, Janez; Pruschke, Thomas

2009-12-01

Using the dynamical mean-field theory (DMFT) with the numerical renormalization-group impurity solver we study the paramagnetic phase of the Hubbard model with the density of states (DOS) corresponding to the three-dimensional (3D) cubic lattice and the two-dimensional (2D) square lattice, as well as a DOS with inverse square-root singularity. We show that the electron correlations rapidly smooth out the square-root van Hove singularities (kinks) in the spectral function for the 3D lattice and that the Mott metal-insulator transition (MIT) as well as the magnetic-field-induced MIT differ only little from the well-known results for the Bethe lattice. The consequences of the logarithmic singularity in the DOS for the 2D lattice are more dramatic. At half filling, the divergence pinned at the Fermi level is not washed out, only its integrated weight decreases as the interaction is increased. While the Mott transition is still of the usual kind, the magnetic-field-induced MIT falls into a different universality class as there is no field-induced localization of quasiparticles. In the case of a power-law singularity in the DOS at the Fermi level, the power-law singularity persists in the presence of interaction, albeit with a different exponent, and the effective impurity model in the DMFT turns out to be a pseudogap Anderson impurity model with a hybridization function which vanishes at the Fermi level. The system is then a generalized Fermi liquid. At finite doping, regular Fermi-liquid behavior is recovered.

Fermi level de-pinning of aluminium contacts to n-type germanium using thin atomic layer deposited layers

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

Gajula, D. R., E-mail: dgajula01@qub.ac.uk; Baine, P.; Armstrong, B. M.

Fermi-level pinning of aluminium on n-type germanium (n-Ge) was reduced by insertion of a thin interfacial dielectric by atomic layer deposition. The barrier height for aluminium contacts on n-Ge was reduced from 0.7 eV to a value of 0.28 eV for a thin Al{sub 2}O{sub 3} interfacial layer (∼2.8 nm). For diodes with an Al{sub 2}O{sub 3} interfacial layer, the contact resistance started to increase for layer thicknesses above 2.8 nm. For diodes with a HfO{sub 2} interfacial layer, the barrier height was also reduced but the contact resistance increased dramatically for layer thicknesses above 1.5 nm.

Negative tunnel magnetoresistance and spin transport in ferromagnetic graphene junctions.

PubMed

Zou, Jianfei; Jin, Guojun; Ma, Yu-Qiang

2009-03-25

We study the tunnel magnetoresistance (TMR) and spin transport in ferromagnetic graphene junctions composed of ferromagnetic graphene (FG) and normal graphene (NG) layers. It is found that the TMR in the FG/NG/FG junction oscillates from positive to negative values with respect to the chemical potential adjusted by the gate voltage in the barrier region when the Fermi level is low enough. Particularly, the conventionally defined TMR in the FG/FG/FG junction oscillates periodically from a positive to negative value with increasing the barrier height at any Fermi level. The spin polarization of the current through the FG/FG/FG junction also has an oscillating behavior with increasing barrier height, whose oscillating amplitude can be modulated by the exchange splitting in the ferromagnetic graphene.

Band structure modification of the thermoelectric Heusler-phase TiFe2Sn via Mn substitution.

PubMed

Zou, Tianhua; Jia, Tiantian; Xie, Wenjie; Zhang, Yongsheng; Widenmeyer, Marc; Xiao, Xingxing; Weidenkaff, Anke

2017-07-19

Doping (or substitution)-induced modification of the electronic structure to increase the electronic density of states (eDOS) near the Fermi level is considered as an effective strategy to enhance the Seebeck coefficient, and may consequently boost the thermoelectric performance. Through density-functional theory calculations of Mn-substituted TiFe 2-x Mn x Sn compounds, we demonstrate that the d-states of the substituted Mn atoms induce a strong resonant level near the Fermi energy. Our experimental results are in good agreement with the calculations. They show that Mn substitution results in a large increase of the Seebeck coefficient, arising from an enhanced eDOS in Heusler compounds. The results prove that a proper substitution position and element selection can increase the eDOS, leading to a higher Seebeck coefficient and thermoelectric performance of ecofriendly materials.

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.

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

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

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.

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.

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.

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.

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.

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.

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2010-05-05

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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

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↓ } .

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.

Energy spectrum and electrical conductivity of graphene with a nitrogen impurity

NASA Astrophysics Data System (ADS)

Repetskii, S. P.; Vyshivanaya, I. G.; Skotnikov, V. A.; Yatsenyuk, A. A.

2015-04-01

The electronic structure of graphene with a nitrogen impurity has been studied based on the model of tight binding using exchange-correlation potentials in the density-functional theory. Wave functions of 2 s and 2 p states of neutral noninteracting carbon atoms have been chosen as the basis. When studying the matrix elements of the Hamiltonian, the first three coordination shells have been taken into account. It has been established that the hybridization of electron-energy bands leads to the splitting of the electron energy spectrum near the Fermi level. Due to the overlap of the energy bands, the arising gap behaves as a quasi-gap, in which the density of the electron levels is much lower than in the rest of the spectrum. It has been established that the conductivity of graphene decreases with increasing nitrogen concentration. Since the increase in the nitrogen concentration leads to an increase in the density of states at the Fermi level, the decrease in the conductivity is due to a sharper decrease in the time of relaxation of the electron sates.

Thermodynamic and mechanical properties of TiC from ab initio calculation

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

Dang, D. Y.; Fan, J. L.; Gong, H. R., E-mail: gonghr@csu.edu.cn

2014-07-21

The temperature-dependent thermodynamic and mechanical properties of TiC are systematically investigated by means of a combination of density-functional theory, quasi-harmonic approximation, and thermal electronic excitation. It is found that the quasi-harmonic Debye model should be pertinent to reflect thermodynamic properties of TiC, and the elastic properties of TiC decease almost linearly with the increase of temperature. Calculations also reveal that TiC possesses a pronounced directional pseudogap across the Fermi level, mainly due to the strong hybridization of Ti 3d and C 2p states. Moreover, the strong covalent bonding of TiC would be enhanced (reduced) with the decrease (increase) of temperature,more » while the change of volume (temperature) should have negligible effect on density of states at the Fermi level. The calculated results agree well with experimental observations in the literature.« less

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

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.

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

Electronic structure and magnetic properties of quaternary Heusler alloy Co2CrGa1-xGex (x=0-1)

NASA Astrophysics Data System (ADS)

Seema, K.; Kumar, Ranjan

2015-03-01

The electronic structure of Co-based quaternary Heusler compounds Co2CrGa1-xGex (x=0.00, 0.25, 0.50, 0.75, 1.00) are calculated by first-principles density functional theory. The substitution of Ga by Ge leads to increase in the number of valence electrons. With increasing concentration of Ge, lattice constant decreases linearly whereas bulk modulus and total magnetic moment increases. This shows that the magnetic properties of the compound are dependent on electron concentration of main group element. The calculations show that the alloys with x=0.00, 0.25, 0.50 are not true half-metallic materials whereas alloy with x=0.75, 1.00 exhibit 100% spin polarization at the Fermi level. It shows that the Fermi level can be shifted within the energy-gap to achieve 100% spin polarization. The effect of volumetric and tetragonal strain on magnetic properties is also studied.

Tuning pentacene based dye-sensitized solar cells.

PubMed

Kunzmann, Andreas; Gruber, Marco; Casillas, Rubén; Tykwinski, Rik R; Costa, Rubén D; Guldi, Dirk M

2018-05-10

We report on the synthesis, as well as photophysical and electrochemical characterization of a new family of pentacene derivatives, which are applied in n-type dye-sensitized solar cells (DSSCs). As far as the molecular structure of the pentacene is concerned, the synthetic design focuses on cyano acrylic tethered at the 13-position of the pentacene chromophore. The electrolyte composition features increasing amounts of Li+ ions as an additive. In general, the increase of Li+ concentrations extrinsically reduces the quasi Fermi level of the photoanode and as such facilitates the electron injection process. We demonstrate that pentacene derivatives give rise to a unique charge injection process, which is controlled by the positioning of the quasi Fermi level energies as a function of the Li+ concentration. As a result of the enhanced charge injection, device efficiencies as high as 1.5% are achieved, representing a 3-fold increase from previously reported efficiencies in pentacene-based DSSCs. These findings are supported by device analysis in combination with transient absorption and electrochemical impedance spectroscopy assays.

Spatial variations of the local density of states modified by CDWs in 1 T- TaS2- xSex

NASA Astrophysics Data System (ADS)

Hasegawa, T.; Yamaguchi, W.; Kim, J.-J.; Wei, W.; Nantoh, M.; Ikuta, H.; Kitazawa, K.; Manivannan, A.; Fujishima, A.; Uchinokura, K.

1994-07-01

Spatial variations of the local density of states (LDOS) near the Fermi level have been observed on the layered dichalcogenides 1 T- TaS2- xSex ( x = 0, 0.2, 2) for the first time. The tunneling spectra on the cleaved surfaces were measured by atomic-site tunneling (AST) spectroscopy technique at room temperature. In 1T-TaS 2, the LDOS was substantially different among the three inequivalent Ta atomic sites induced by the CDW formation. However, the surface electronic structure became homogeneous, as the Se content was increased. By substituting Se for S, the minimum position of the LDOS was systematically shifted to a higher energy side above the Fermi level.

Surface modification effects of fluorine-doped tin dioxide by oxygen plasma ion implantation

NASA Astrophysics Data System (ADS)

Tang, Peng; Liu, Cai; Zhang, Jingquan; Wu, Lili; Li, Wei; Feng, Lianghuan; Zeng, Guanggen; Wang, Wenwu

2018-04-01

SnO2:F (FTO), as a kind of transparent conductive oxide (TCO), exhibits excellent transmittance and conductivity and is widely used as transparency electrodes in solar cells. It's very important to modifying the surface of FTO for it plays a critical role in CdTe solar cells. In this study, modifying effects of oxygen plasma on FTO was investigated systematically. Oxygen plasma treatment on FTO surface with ion accelerating voltage ranged from 0.4 kV to 1.6 kV has been processed. The O proportion of surface was increased after ion implantation. The Fermi level of surface measurement by XPS valance band spectra was lowered as the ion accelerating voltage increased to 1.2 kV and then raised as accelerating voltage was elevated to 1.6 kV. The work function measured by Kelvin probe force microscopy increased after ion implanting, and it was consistent with the variation of Fermi level. The change of energy band structure of FTO surface mainly originated from the surface composition variation. As FTO conduction was primarily due to oxyanion hole, the carrier was electron and its concentration was reduced while O proportion was elevated at the surface of FTO, as a result, the Fermi level lowered and the work function was enlarged. It was proved that oxygen plasma treatment is an effective method to modulate the energy band structure of the surface as well as other properties of FTO, which provides much more space for interface and surface modification and then photoelectric device performance promotion.

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.

Anodic iridium oxide films: An UPS study of emersed electrodes

NASA Astrophysics Data System (ADS)

Kötz, E. R.; Neff, H.

1985-09-01

Formation of anodic iridium oxide films has been monitored using Ultraviolet Photoemission Spectroscopy (UPS) of the emersed electrodes. The potential dependent valence band spectra clearly show the onset of oxide formation at about 0.6 V versus SCE. The density of states at the Fermi level and the positron of the Fermi level with respect to the maximum of the t 2g band of the oxide indicates a transition from metallic to semiconducting behaviour of the oxide. Protonation of the oxide is associated with increased emission from OH species. A linear correlation between electrode potential and workfunction change is observed for the metal as well as for the oxide. Our results confirm known band theory models and provide a fundamental understanding of the electrochromism of anodic iridium oxide films.

Thermodynamic properties of ideal Fermi gases in a harmonic potential in an n-dimensional space under the generalized uncertainty principle

NASA Astrophysics Data System (ADS)

Li, Heling; Ren, Jinxiu; Wang, Wenwei; Yang, Bin; Shen, Hongjun

2018-02-01

Using the semi-classical (Thomas-Fermi) approximation, the thermodynamic properties of ideal Fermi gases in a harmonic potential in an n-dimensional space are studied under the generalized uncertainty principle (GUP). The mean particle number, internal energy, heat capacity and other thermodynamic variables of the Fermi system are calculated analytically. Then, analytical expressions of the mean particle number, internal energy, heat capacity, chemical potential, Fermi energy, ground state energy and amendments of the GUP are obtained at low temperatures. The influence of both the GUP and the harmonic potential on the thermodynamic properties of a copper-electron gas and other systems with higher electron densities are studied numerically at low temperatures. We find: (1) When the GUP is considered, the influence of the harmonic potential is very much larger, and the amendments produced by the GUP increase by eight to nine orders of magnitude compared to when no external potential is applied to the electron gas. (2) The larger the particle density, or the smaller the particle masses, the bigger the influence of the GUP. (3) The effect of the GUP increases with the increase in the spatial dimensions. (4) The amendments of the chemical potential, Fermi energy and ground state energy increase with an increase in temperature, while the heat capacity decreases. T F0 is the Fermi temperature of the ideal Fermi system in a harmonic potential. When the temperature is lower than a certain value (0.22 times T F0 for the copper-electron gas, and this value decreases with increasing electron density), the amendment to the internal energy is positive, however, the amendment decreases with increasing temperature. When the temperature increases to the value, the amendment is zero, and when the temperature is higher than the value, the amendment to the internal energy is negative and the absolute value of the amendment increases with increasing temperature. (5) When electron density is greater than or equal to 1037 m-3, the influence of the GUP becomes the dominant factor affecting the thermodynamic properties of the system.

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

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.

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.

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.

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.

Cyclotron resonance mass and Fermi energy pinning in the In(AsN) alloy

NASA Astrophysics Data System (ADS)

Drachenko, O.; Patanè, A.; Kozlova, N. V.; Zhuang, Q. D.; Krier, A.; Eaves, L.; Helm, M.

2011-04-01

We report cyclotron resonance (CR) experiments on the midinfrared alloy InAs1-xNx grown on GaAs with x from 0% to 1.9%. Using magnetic fields up to 60 T and terahertz photon sources from 3 to 30 THz, we determine the dependence on x of the electron density and CR mass. The increase in the carrier density with increasing x is accompanied by a redshift in the interband photoluminescence emission and is explained in terms of the pinning of the Fermi level to its value at x =0. The high carrier densities (˜1018 cm-3) at x˜1% give rise to a CR mass that is only weakly dependent on the excitation energy, significantly weaker than that in InAs.

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

The electronic structure of Au25 clusters: between discrete and continuous

NASA Astrophysics Data System (ADS)

Katsiev, Khabiboulakh; Lozova, Nataliya; Wang, Lu; Sai Krishna, Katla; Li, Ruipeng; Mei, Wai-Ning; Skrabalak, Sara E.; Kumar, Challa S. S. R.; Losovyj, Yaroslav

2016-08-01

Here, an approach based on synchrotron resonant photoemission is employed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states in the vicinity of the Fermi level. These observations are supported by DFT studies.Here, an approach based on synchrotron resonant photoemission is employed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states in the vicinity of the Fermi level. These observations are supported by DFT studies. Electronic supplementary information (ESI) available: Experimental details including chemicals, sample preparation, and characterization methods. Computation techniques, SV-AUC, GIWAXS, XPS, UPS, MALDI-TOF, ESI data of Au25 clusters. See DOI: 10.1039/c6nr02374f

Graphene/h-BN/GaAs sandwich diode as solar cell and photodetector.

PubMed

Li, Xiaoqiang; Lin, Shisheng; Lin, Xing; Xu, Zhijuan; Wang, Peng; Zhang, Shengjiao; Zhong, Huikai; Xu, Wenli; Wu, Zhiqian; Fang, Wei

2016-01-11

In graphene/semiconductor heterojunction, the statistic charge transfer between graphene and semiconductor leads to decreased junction barrier height and limits the Fermi level tuning effect in graphene, which greatly affects the final performance of the device. In this work, we have designed a sandwich diode for solar cells and photodetectors through inserting 2D hexagonal boron nitride (h-BN) into graphene/GaAs heterostructure to suppress the static charge transfer. The barrier height of graphene/GaAs heterojunction can be increased from 0.88 eV to 1.02 eV by inserting h-BN. Based on the enhanced Fermi level tuning effect with interface h-BN, through adopting photo-induced doping into the device, power conversion efficiency (PCE) of 10.18% has been achieved for graphene/h-BN/GaAs compared with 8.63% of graphene/GaAs structure. The performance of graphene/h-BN/GaAs based photodetector is also improved with on/off ratio increased by one magnitude compared with graphene/GaAs structure.

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.

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.

Twelve Years of Education and Public Outreach with the Fermi Gamma-ray Space Telescope

NASA Astrophysics Data System (ADS)

Cominsky, Lynn R.; McLin, K. M.; Simonnet, A.; Fermi E/PO Team

2013-04-01

During the past twelve years, NASA's Fermi Gamma-ray Space Telescope has supported a wide range of Education and Public Outreach (E/PO) activities, targeting K-14 students and the general public. The purpose of the Fermi E/PO program is to increase student and public understanding of the science of the high-energy Universe, through inspiring, engaging and educational activities linked to the mission’s science objectives. The E/PO program has additional more general goals, including increasing the diversity of students in the Science, Technology, Engineering and Mathematics (STEM) pipeline, and increasing public awareness and understanding of Fermi science and technology. Fermi's multi-faceted E/PO program includes elements in each major outcome category: ● Higher Education: Fermi E/PO promotes STEM careers through the use of NASA data including research experiences for students and teachers (Global Telescope Network), education through STEM curriculum development projects (Cosmology curriculum) and through enrichment activities (Large Area Telescope simulator). ● Elementary and Secondary education: Fermi E/PO links the science objectives of the Fermi mission to well-tested, customer-focused and NASA-approved standards-aligned classroom materials (Black Hole Resources, Active Galaxy Education Unit and Pop-up book, TOPS guides, Supernova Education Unit). These materials have been distributed through (Educator Ambassador and on-line) teacher training workshops and through programs involving under-represented students (after-school clubs and Astro 4 Girls). ● Informal education and public outreach: Fermi E/PO engages the public in sharing the experience of exploration and discovery through high-leverage multi-media experiences (Black Holes planetarium and PBS NOVA shows), through popular websites (Gamma-ray Burst Skymap, Epo's Chronicles), social media (Facebook, MySpace), interactive web-based activities (Space Mysteries, Einstein@Home) and activities by amateur astronomers nation-wide (Supernova! Toolkit). This poster highlights various facets of the Fermi E/PO program.

Pseudogap and electronic structure of electron-doped Sr2IrO4

NASA Astrophysics Data System (ADS)

Moutenet, Alice; Georges, Antoine; Ferrero, Michel

2018-04-01

We present a theoretical investigation of the effects of correlations on the electronic structure of the Mott insulator Sr2IrO4 upon electron doping. A rapid collapse of the Mott gap upon doping is found, and the electronic structure displays a strong momentum-space differentiation at low doping level: The Fermi surface consists of pockets centered around (π /2 ,π /2 ) , while a pseudogap opens near (π ,0 ) . Its physical origin is shown to be related to short-range spin correlations. The pseudogap closes upon increasing doping, but a differentiated regime characterized by a modulation of the spectral intensity along the Fermi surface persists to higher doping levels. These results, obtained within the cellular dynamical mean-field-theory framework, are discussed in comparison to recent photoemission experiments and an overall good agreement is found.

First-principles study on electron transport properties of carbon-silicon mixed chains

NASA Astrophysics Data System (ADS)

Hu, Wei; Zhou, Qinghua; Liang, Yan; Liu, Wenhua; Wang, Tao; Wan, Haiqing

2018-03-01

In this paper, the transport properties of carbon-silicon mixed chains are studied by using the first-principles. We studied five atomic chain models. In these studies, we found that the equilibrium conductances of atomic chains appear to oscillate, the maximum conductance and the minimum conductance are more than twice the difference. Their I-V curves are linear and show the behavior of metal resistance, M5 system and M2 system current ratio is the largest in 0.9 V, which is 3.3, showing a good molecular switch behavior. In the case of bias, while the bias voltage increases, the transmission peaks move from the Fermi level. The resonance transmission peak height is reduced near the Fermi level. In the higher energy range, a large resonance transmission peak reappears, there is still no energy cut-off range.

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.

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.

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.

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.

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 .

Quasiparticle lifetime in a mixture of Bose and Fermi superfluids.

PubMed

Zheng, Wei; Zhai, Hui

2014-12-31

In this Letter, we study the effect of quasiparticle interactions in a Bose-Fermi superfluid mixture. We consider the lifetime of a quasiparticle of the Bose superfluid due to its interaction with quasiparticles in the Fermi superfluid. We find that this damping rate, i.e., the inverse of the lifetime, has quite a different threshold behavior at the BCS and the BEC side of the Fermi superfluid. The damping rate is a constant near the threshold momentum in the BCS side, while it increases rapidly in the BEC side. This is because, in the BCS side, the decay process is restricted by the constraint that the fermion quasiparticle is located near the Fermi surface, while such a restriction does not exist in the BEC side where the damping process is dominated by bosonic quasiparticles of the Fermi superfluid. Our results are related to the collective mode experiment in the recently realized Bose-Fermi superfluid mixture.

Electron-exchange and quantum screening effects on the Thomson scattering process in quantum Fermi plasmas

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

Lee, Gyeong Won; Jung, Young-Dae; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York 12180-3590

2013-06-15

The influence of the electron-exchange and quantum screening on the Thomson scattering process is investigated in degenerate quantum Fermi plasmas. The Thomson scattering cross section in quantum plasmas is obtained by the plasma dielectric function and fluctuation-dissipation theorem as a function of the electron-exchange parameter, Fermi energy, plasmon energy, and wave number. It is shown that the electron-exchange effect enhances the Thomson scattering cross section in quantum plasmas. It is also shown that the differential Thomson scattering cross section has a minimum at the scattering angle Θ=π/2. It is also found that the Thomson scattering cross section increases with anmore » increase of the Fermi energy. In addition, the Thomson scattering cross section is found to be decreased with increasing plasmon energy.« less

Observation strategies with the Fermi Gamma-ray Space Telescope

NASA Astrophysics Data System (ADS)

McEnery, Julie E.; Fermi mission Teams

2015-01-01

During the first few years of the Fermi mission, the default observation mode has been an all-sky survey, optimized to provide relatively uniform coverage of the entire sky every three hours. Over 95% of the mission has been performed in this observation mode. However, Fermi is capable of flexible survey mode patterns, and inertially pointed observations both of which allow increased coverage of selected parts of the sky. In this presentation, we will describe the types of observations that Fermi can make, the relative advantages and disadvantages of various observations, and provide guidelines to help Fermi users plan and evaluate non-standard observations.

First principles study of crystal Si-doped Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Yan, Beibei; Yang, Fei; Chen, Tian; Wang, Minglei; Chang, Hong; Ke, Daoming; Dai, Yuehua

2017-02-01

Ge2Sb2Te5 (GST) and Si-doped GST with hexagonal structure were investigated by means of First-principles calcucations. We performed many kinds of doping types and studied the electronic properties of Si-doped GST with various Si concentrations. The theoretical calculations show that the lowest formation energy appeared when Si atoms substitute the Sb atoms (SiSb). With the increasing of Si concentrations from 10% to 30%, the impurity states arise around the Fermi level and the band gap of the SiSb structure broadens. Meanwhile, the doping supercell has the most favorable structure when the doping concentration keeps in 20%. The Si-doped GST exhibits p-type metallic characteristics more distinctly owing to the Fermi level moves toward the valence band. The Te p, d-orbitals electrons have greater impact on electronic properties than that of Te s-orbitals.

Hybrid perovskite films approaching the radiative limit with over 90% photoluminescence quantum efficiency

NASA Astrophysics Data System (ADS)

Braly, Ian L.; deQuilettes, Dane W.; Pazos-Outón, Luis M.; Burke, Sven; Ziffer, Mark E.; Ginger, David S.; Hillhouse, Hugh W.

2018-06-01

Reducing non-radiative recombination in semiconducting materials is a prerequisite for achieving the highest performance in light-emitting and photovoltaic applications. Here, we characterize both external and internal photoluminescence quantum efficiency and quasi-Fermi-level splitting of surface-treated hybrid perovskite (CH3NH3PbI3) thin films. With respect to the material bandgap, these passivated films exhibit the highest quasi-Fermi-level splitting measured to date, reaching 97.1 ± 0.7% of the radiative limit, approaching that of the highest performing GaAs solar cells. We confirm these values with independent measurements of internal photoluminescence quantum efficiency of 91.9 ± 2.7% under 1 Sun illumination intensity, setting a new benchmark for these materials. These results suggest hybrid perovskite solar cells are inherently capable of further increases in power conversion efficiency if surface passivation can be combined with optimized charge carrier selective interfaces.

Influence of Dopants in ZnO Films on Defects

NASA Astrophysics Data System (ADS)

Peng, Cheng-Xiao; Weng, Hui-Min; Zhang, Yang; Ma, Xing-Ping; Ye, Bang-Jiao

2008-12-01

The influence of dopants in ZnO films on defects is investigated by slow positron annihilation technique. The results show S that parameters meet SAl > Sun > SAg for Al-doped ZnO films, undoped and Ag-doped ZnO films. Zinc vacancies are found in all ZnO films with different dopants. According to S parameter and the same defect type, it can be induced that the zinc vacancy concentration is the highest in the Al-doped ZnO film, and it is the least in the Ag-doped ZnO film. When Al atoms are doped in the ZnO films grown on silicon substrates, Zn vacancies increase as compared to the undoped and Ag-doped ZnO films. The dopant concentration could determine the position of Fermi level in materials, while defect formation energy of zinc vacancy strongly depends on the position of Fermi level, so its concentration varies with dopant element and dopant concentration.

Temperature-tunable Fano resonance induced by strong Weyl fermion-phonon coupling in TaAs

NASA Astrophysics Data System (ADS)

Dai, Yaomin; Trugman, S. A.; Zhu, J.-X.; Taylor, A. J.; Yarotski, D. A.; Prasankumar, R. P.; Xu, B.; Zhao, L. X.; Wang, K.; Yang, R.; Zhang, W.; Liu, J. Y.; Xiao, H.; Chen, G. F.; Qiu, X. G.

Strong coupling between discrete phonon and continuous electron-hole pair excitations can give rise to a pronounced asymmetry in the phonon line shape, known as the Fano resonance. We present infrared spectroscopic studies on the recently discovered Weyl semimetal TaAs at different temperatures. Our experimental results reveal strong coupling between an infrared-active A1 phonon and electronic transitions near the Weyl points (Weyl fermions), as evidenced by the conspicuous asymmetry in the phonon line shape. More interestingly, the phonon line shape can be continuously tuned by temperature, which we demonstrate to arise from the suppression of the electronic transitions near the Weyl points due to the decreasing occupation of electronic states below the Fermi level with increasing temperature, as well as Pauli blocking caused by thermally excited electrons above the Fermi level. Supported by LANL LDRD and LANL-UCRP programs.

Defect characterization in Mg-doped GaN studied using a monoenergetic positron beam

NASA Astrophysics Data System (ADS)

Uedono, A.; Ishibashi, S.; Tenjinbayashi, K.; Tsutsui, T.; Nakahara, K.; Takamizu, D.; Chichibu, S. F.

2012-01-01

Vacancy-type defects in Mg-doped GaN grown by metalorganic vapor phase epitaxy were probed using a monoenergetic positron beam. For a sample fabricated with a high H2-flow rate, before post-growth annealing the major defect species detected by positrons was identified as vacancy-clusters. Evidence suggested that other donor-type defects such as nitrogen vacancies also existed. The defects increased the Fermi level position, and enhanced the diffusion of positrons toward the surface. The annihilation of positrons at the top surface was suppressed by Mg-doping. This was attributed to the introduction of a subsurface layer (<6 nm) with a low defect concentration, where the Fermi level position was considered to decrease due to partial activation of Mg. For samples after annealing, the trapping of positrons by residual vacancy-type defects was observed, and the sample crystal quality was found to depend on that before annealing.

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

Evolution of Fermi Surface Properties in CexLa1-xB6 and PrxLa1-xB6

NASA Astrophysics Data System (ADS)

Endo, Motoki; Nakamura, Shintaro; Isshiki, Toshiyuki; Kimura, Noriaki; Nojima, Tsutomu; Aoki, Haruyoshi; Harima, Hisatomo; Kunii, Satoru

2006-11-01

We report the de Haas-van Alphen (dHvA) effect measurements of the Fermi surface properties in LaB6, CexLa1-xB6 (x = 0.1, 0.25, 0.5, 0.75, 1.0) and PrxLa1-xB6 (x = 0.25, 0.5, 0.75, 1.0) with particular attention to the spin dependence of the Fermi surface properties. The Fermi surface shape and dimension of CexLa1-xB6 change considerably with Ce concentration, while those of PrxLa1-xB6 change very slightly up to x = 0.75, and in PrB6 the Fermi surface splits into the up and down spin Fermi surfaces. The effective mass of CexLa1-xB6 increases considerably with Ce concentration and is nearly proportional to the number of Ce ions, whereas that of PrxLa1-xB6 increases slightly with Pr concentration. In CexLa1-xB6 the effective mass depends very strongly on field and increases divergently with decreasing field, while that of PrxLa1-xB6 increases slightly with decreasing field. The contribution to the dHvA signal from the conduction electrons of one spin direction diminishes with Ce concentration and appears to disappear somewhere around x = 0.25--0.5. A weak spin dependence is also found in PrxLa1-xB6. The behaviors of CexLa1-xB6 and PrxLa1-xB6 are compared to discuss the origin of the spin dependence of the Fermi surface properties.

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.

Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors

NASA Astrophysics Data System (ADS)

Vatamanu, Jenel; Ni, Xiaojuan; Liu, Feng; Bedrov, Dmitry

2015-11-01

The semiconducting character of graphene and some carbon-based electrodes can lead to noticeably lower total capacitances and stored energy densities in electric double layer (EDL) capacitors. This paper discusses the chemical and electronic structure modifications that enhance the available energy bands, density of states and quantum capacitance of graphene substrates near the Fermi level, therefore restoring the conducting character of these materials. The doping of graphene with p or n dopants, such as boron and nitrogen atoms, or the introduction of vacancy defects that introduce zigzag edges, can significantly increase the quantum capacitance within the potential range of interest for the energy storage applications by either shifting the Dirac point away from the Fermi level or by eliminating the Dirac point. We show that a combination of doping and vacancies at realistic concentrations is sufficient to increase the capacitance of a graphene-based electrode to within 1 μF cm-2 from that of a metallic surface. Using a combination of ab initio calculations and classical molecular dynamics simulations we estimate how the changes in the quantum capacitance of these electrode materials affect the total capacitance stored by the open structure EDL capacitors containing room temperature ionic liquid electrolytes.

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

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.

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu2Su2

NASA Astrophysics Data System (ADS)

Yamagami, Hiroshi

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu2Si2 are reconsidered using a relativistic LAPW method within a local spin-density approximation, especially taking into account the lattice parameters dependent on pressures. The reduction of the z-coordinate of the Si sites results in the effect of flattening the Ru-Si layers of URu2Si2 crystal structure, thus weakening a hybridization/mixing between the U-5f and Ru-4d states in the band structure. Consequently the 5f bands around the Fermi level are more flat in the dispersion with decreasing the z-coordinate, thus producing three closed Fermi surfaces like "curing-stone", "rugby-ball " and "ball". The origins of de Haas-van Alphen branches can be qualitatively interpreted from the obtained AFM Fermi surfaces.

The effect of ultrasonic and HNO3 treatment of activated carbon from fruit stones on capacitive and pseudocapacitive energy storage in electrochemical supercapacitors.

PubMed

Venhryn, B Ya; Stotsko, Z A; Grygorchak, I I; Bakhmatyuk, B P; Mudry, S I

2013-09-01

The effect of ultrasonic treatment and modification with nitric acid of activated carbon obtained from fruit stones, on the parameters of electric double-layer (EDL) as well as on farad-volt characteristics of its boundary with electrolyte 7.6 m KОН, 4 m KI and 2 m ZnI2 aqueous solutions has been studied by means of precision porometry, cyclic voltamperometry, electrochemical impedance spectroscopy and computer simulation methods. It is shown that HNO3 treatment results in an increase of the electrostatic capacitance up to 202 F/g in 7.6 m KОН-solution as well as pseudocapacitance up to 1250 F/g in 4 m KI. This increase is supposed to be related both with hydrophilicity and with an increase of the density of states on Fermi level. The ultrasonic treatment enables one to significantly increase (more than 200 times) the density of states on Fermi level which in turn causes both quantitative and qualitative changes in farad-volt dependences. A hybrid supercapacitor with specific capacitance of 1100 F/g and specific energy of 49 Wh/kg per active mass of two electrodes was developed. Copyright © 2013 Elsevier B.V. All rights reserved.

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

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.

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.

Fermi-LAT detection of increased gamma-ray activity of TXS 0506+056, located inside the IceCube-170922A error region.

NASA Astrophysics Data System (ADS)

Tanaka, Yasuyuki T.; Buson, Sara; Kocevski, Daniel

2017-09-01

We searched for Fermi-LAT sources inside the extremely high-energy (EHE) IceCube-170922A neutrino event error region (https://gcn.gsfc.nasa.gov/gcn3/21916.gcn3, see also ATels 10773, 10787) with all-sky survey data from the Large Area Telescope (LAT), on board the Fermi Gamma-ray Space Telescope.

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".

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.

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.

Dissolution of topological Fermi arcs in a dirty Weyl semimetal

NASA Astrophysics Data System (ADS)

Slager, Robert-Jan; Juričić, Vladimir; Roy, Bitan

2017-11-01

Weyl semimetals (WSMs) have recently attracted a great deal of attention as they provide a condensed matter realization of chiral anomaly, feature topologically protected Fermi arc surface states, and sustain sharp chiral Weyl quasiparticles up to a critical disorder at which a continuous quantum phase transition (QPT) drives the system into a metallic phase. We here numerically demonstrate that with increasing strength of disorder, the Fermi arc gradually loses its sharpness, and close to the WSM-metal QPT it completely dissolves into the metallic bath of the bulk. The predicted topological nature of the WSM-metal QPT and the resulting bulk-boundary correspondence across this transition can be directly observed in angle-resolved photoemission spectroscopy (ARPES) and Fourier transformed scanning tunneling microscopy (STM) measurements by following the continuous deformation of the Fermi arcs with increasing disorder in recently discovered Weyl materials.

Exploring the doping effects of Ag in p-type PbSe compounds with enhanced thermoelectric performance

NASA Astrophysics Data System (ADS)

Wang, Shanyu; Zheng, Gang; Luo, Tingting; She, Xiaoyu; Li, Han; Tang, Xinfeng

2011-11-01

In this study, we prepared a series of Ag-doped PbSe bulk materials by a melting-quenching process combined with a subsequent spark plasma sintering process, and systematically investigated the doping effects of Ag on the thermoelectric properties. Ag substitution in the Pb site does not introduce resonant levels near the valence band edge or detectable change in the density of state in the vicinity of the Fermi level, but moves the Fermi level down and increases the carrier concentration to a maximum value of ~4.7 × 1019 cm-3 which is still insufficient for heavily doped PbSe compounds. Nonetheless, the non-monotonic variation in carrier concentration with increasing Ag content indicates that Ag doping reaches the solution limit at ~1.0% and the excessive Ag presumably acts as donors in the materials. Moreover, the large energy gap of the PbSe-based material wipes off significant 'roll-over' in the Seebeck coefficient at elevated temperatures which gives rise to high power factors, being comparable to p-type Te analogues. Consequently, the maximum ZT reaches ~1.0 for the 1.5% Ag-doped samples with optimized carrier density, which is ~70% improvement in comparison with an undoped sample and also superior to the commercialized p-type PbTe materials.

Effects of hydrogen treatment on ohmic contacts to p-type GaN films

NASA Astrophysics Data System (ADS)

Huang, Bohr-Ran; Chou, Chia-Hui; Ke, Wen-Cheng; Chou, Yi-Lun; Tsai, Chia-Lung; Wu, Meng-chyi

2011-06-01

This study investigated the effects of hydrogen (H 2) treatment on metal contacts to Mg-doped p-GaN films by Hall-effect measurement, current-voltage ( I- V) analyzer and X-ray photoemission spectra (XPS). The interfacial oxide layer on the p-GaN surface was found to be the main reason for causing the nonlinear I- V behavior of the untreated p-GaN films. The increased nitrogen vacancy (V N) density due to increased GaN decomposition rate at high-temperature hydrogen treatment is believed to form high density surface states on the surface of p-GaN films. Compared to untreated p-GaN films, the surface Fermi level determined by the Ga 2p core-level peak on 1000 °C H 2-treated p-GaN films lies about ˜2.1 eV closer to the conduction band edge (i.e., the surface inverted to n-type behavior). The reduction in barrier height due to the high surface state density pinned the surface Fermi level close to the conduction band edge, and allowed the electrons to easily flow over the barrier from the metal into the p-GaN films. Thus, a good ohmic contact was achieved on the p-GaN films by the surface inversion method.

Localized-to-extended-states transition below the Fermi level

NASA Astrophysics Data System (ADS)

Tito, M. A.; Pusep, Yu. A.

2018-05-01

Time-resolved photoluminescence is employed to examine a transition from localized to extended electron states below the Fermi level in multiple narrow quantum well GaAs/AlGaAs heterostructures, where disorder was generated by interface roughness. Such a transition resembles the metal-insulator transition profoundly investigated by electric transport measurements. An important distinction distinguishes the localized-to-extended-states transition studied here: it takes place below the Fermi level in an electron system with a constant concentration, which implies unchanging Coulomb correlations. Moreover, for such a localized-to-extended-states transition the temperature is shown to be irrelevant. In the insulating regime the magnetic field was found to cause an additional momentum relaxation which considerably enhanced the recombination rate. Thus, we propose a method to explore the evolution of the localized electron states in a system with a fixed disorder and Coulomb interaction.

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

On the widths of Stokes lines in Raman scattering from molecules adsorbed at metal surfaces and in molecular conduction junctions

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

Gao, Yi, E-mail: yig057@ucsd.edu; Galperin, Michael, E-mail: migalperin@ucsd.edu; Nitzan, Abraham, E-mail: nitzan@post.tau.ac.il

Within a generic model we analyze the Stokes linewidth in surface enhanced Raman scattering (SERS) from molecules embedded as bridges in molecular junctions. We identify four main contributions to the off-resonant Stokes signal and show that under zero voltage bias (a situation pertaining also to standard SERS experiments) and at low bias junctions only one of these contributions is pronounced. The linewidth of this component is determined by the molecular vibrational relaxation rate, which is dominated by interactions with the essentially bosonic thermal environment when the relevant molecular electronic energy is far from the metal(s) Fermi energy(ies). It increases whenmore » the molecular electronic level is close to the metal Fermi level so that an additional vibrational relaxation channel due to electron-hole (eh) exciton in the molecule opens. Other contributions to the Raman signal, of considerably broader linewidths, can become important at larger junction bias.« less

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.

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.

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.

Semiconductor to metallic transition in bulk accumulated amorphous indium-gallium-zinc-oxide dual gate thin-film transistor

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

Chun, Minkyu; Chowdhury, Md Delwar Hossain; Jang, Jin, E-mail: jjang@khu.ac.kr

We investigated the effects of top gate voltage (V{sub TG}) and temperature (in the range of 25 to 70 {sup o}C) on dual-gate (DG) back-channel-etched (BCE) amorphous-indium-gallium-zinc-oxide (a-IGZO) thin film transistors (TFTs) characteristics. The increment of V{sub TG} from -20V to +20V, decreases the threshold voltage (V{sub TH}) from 19.6V to 3.8V and increases the electron density to 8.8 x 10{sup 18}cm{sup −3}. Temperature dependent field-effect mobility in saturation regime, extracted from bottom gate sweep, show a critical dependency on V{sub TG}. At V{sub TG} of 20V, the mobility decreases from 19.1 to 15.4 cm{sup 2}/V ⋅ s with increasingmore » temperature, showing a metallic conduction. On the other hand, at V{sub TG} of - 20V, the mobility increases from 6.4 to 7.5cm{sup 2}/V ⋅ s with increasing temperature. Since the top gate bias controls the position of Fermi level, the temperature dependent mobility shows metallic conduction when the Fermi level is above the conduction band edge, by applying high positive bias to the top gate.« less

Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors.

PubMed

Vatamanu, Jenel; Ni, Xiaojuan; Liu, Feng; Bedrov, Dmitry

2015-11-20

The semiconducting character of graphene and some carbon-based electrodes can lead to noticeably lower total capacitances and stored energy densities in electric double layer (EDL)capacitors. This paper discusses the chemical and electronic structure modifications that enhance the available energy bands, density of states and quantum capacitance of graphene substrates near the Fermi level, therefore restoring the conducting character of these materials. The doping of graphene with p or n dopants, such as boron and nitrogen atoms, or the introduction of vacancy defects that introduce zigzag edges, can significantly increase the quantum capacitance within the potential range of interest for the energy storage applications by either shifting the Dirac point away from the Fermi level or by eliminating the Dirac point. We show that a combination of doping and vacancies at realistic concentrations is sufficient to increase the capacitance of a graphene-based electrode to within 1 μF cm(−2) from that of a metallic surface.Using a combination of ab initio calculations and classical molecular dynamics simulations we estimate how the changes in the quantum capacitance of these electrode materials affect the total capacitance stored by the open structure EDL capacitors containing room temperature ionic liquid electrolytes.

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.

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.

Suppression of compensating native defect formation during semiconductor processing via excess carriers

NASA Astrophysics Data System (ADS)

Alberi, K.; Scarpulla, M. A.

2016-06-01

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-state excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. This effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.

Suppression of compensating native defect formation during semiconductor processing via excess carriers

DOE PAGES

Alberi, Kirstin; Scarpulla, M. A.

2016-06-21

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-statemore » excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. Furthermore, this effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.« less

On the optical evaluation of the EL2 deep level concentration in semi-insulating GaAs

NASA Technical Reports Server (NTRS)

Walukiewicz, W.; Lagowski, J.; Gatos, H. C.

1983-01-01

A practical procedure for the evaluation of the Fermi energy in semi-insulating (SI)GaAs from electrical measurements is presented. This procedure makes it possible to reliably extend the determination of the major deep level (EL2) concentration, by near-infrared absorption measurements, to SIGaAs. Employing this procedure, it is shown that the EL2 concentration in Czochralski-grown GaAs increases monotonically with increasing As/Ga ratio (throughout the conversion from SI n type to semiconducting p-type crystals) rather than abruptly as previously proposed.

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.

Fermi LAT detection of increased gamma-ray activity from blazar S5 0716+71

NASA Astrophysics Data System (ADS)

Buson, S.

2014-04-01

The Large Area Telescope (LAT), one of two instruments on-board the Fermi Gamma-ray Space Telescope, has observed an increase in gamma-ray activity from a source positionally coincident with the BL Lac object S5 0716+71 (also known as 2FGL J0721.9+7120, Nolan et al. ...

Spin-fluctuation-induced non-Fermi-liquid behavior with suppressed superconductivity in LiFe 1-xCo xAs

DOE PAGES

Y. M. Dai; Miao, H.; Xing, L. Y.; ...

2015-09-15

A series of LiFe 1–xCo xAs compounds with different Co concentrations by transport, optical spectroscopy, angle-resolved photoemission spectroscopy, and nuclear magnetic resonance. We observe a Fermi-liquid to non-Fermi-liquid to Fermi-liquid (FL-NFL-FL) crossover alongside a monotonic suppression of the superconductivity with increasing Co content. In parallel to the FL-NFL-FL crossover, we find that both the low-energy spin fluctuations and Fermi surface nesting are enhanced and then diminished, strongly suggesting that the NFL behavior in LiFe 1–xCo xAs is induced by low-energy spin fluctuations that are very likely tuned by Fermi surface nesting. Our study reveals a unique phase diagram of LiFemore » 1–xCo xAs where the region of NFL is moved to the boundary of the superconducting phase, implying that they are probably governed by different mechanisms.« less

Electron Thermionic Emission from Graphene and a Thermionic Energy Converter

NASA Astrophysics Data System (ADS)

Liang, Shi-Jun; Ang, L. K.

2015-01-01

In this paper, we propose a model to investigate the electron thermionic emission from single-layer graphene (ignoring the effects of the substrate) and to explore its application as the emitter of a thermionic energy converter (TIC). An analytical formula is derived, which is a function of the temperature, work function, and Fermi energy level. The formula is significantly different from the traditional Richardson-Dushman (RD) law for which it is independent of mass to account for the supply function of the electrons in the graphene behaving like massless fermion quasiparticles. By comparing with a recent experiment [K. Jiang et al., Nano Res. 7, 553 (2014)] measuring electron thermionic emission from suspended single-layer graphene, our model predicts that the intrinsic work function of single-layer graphene is about 4.514 eV with a Fermi energy level of 0.083 eV. For a given work function, a scaling of T3 is predicted, which is different from the traditional RD scaling of T2. If the work function of the graphene is lowered to 2.5-3 eV and the Fermi energy level is increased to 0.8-0.9 eV, it is possible to design a graphene-cathode-based TIC operating at around 900 K or lower, as compared with the metal-based cathode TIC (operating at about 1500 K). With a graphene-based cathode (work function=4.514 eV ) at 900 K and a metallic-based anode (work function=2.5 eV ) like LaB6 at 425 K, the efficiency of our proposed TIC is about 45%.

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.

The impact of the Fermi-Dirac distribution on charge injection at metal/organic interfaces.

PubMed

Wang, Z B; Helander, M G; Greiner, M T; Lu, Z H

2010-05-07

The Fermi level has historically been assumed to be the only energy-level from which carriers are injected at metal/semiconductor interfaces. In traditional semiconductor device physics, this approximation is reasonable as the thermal distribution of delocalized states in the semiconductor tends to dominate device characteristics. However, in the case of organic semiconductors the weak intermolecular interactions results in highly localized electronic states, such that the thermal distribution of carriers in the metal may also influence device characteristics. In this work we demonstrate that the Fermi-Dirac distribution of carriers in the metal has a much more significant impact on charge injection at metal/organic interfaces than has previously been assumed. An injection model which includes the effect of the Fermi-Dirac electron distribution was proposed. This model has been tested against experimental data and was found to provide a better physical description of charge injection. This finding indicates that the thermal distribution of electronic states in the metal should, in general, be considered in the study of metal/organic interfaces.

Materials, properties, and applications of nitrogen-doped organic semiconductors

NASA Astrophysics Data System (ADS)

Chan, Calvin Kar-Fai

As organic semiconducting materials draw increasing attention for many promising applications, including efficient organic light-emitting diodes (OLEDs), large-area organic photovoltaic (OPV) cells, and flexible organic thin-film transistors (OTFTs), chemical doping of organic materials is emerging as an important technique for overcoming performance deficiencies and material limitations of intrinsic organic films. Although p-doping has been amply demonstrated, molecular n-type doping has been difficult to study because of the inherent instability of easily oxidized n-dopants. In this work, the facile use of two low ionization energy (IE) small molecules that are suitable for n-doping a wide range of organic electronic materials is demonstrated. Cobaltocene (CoCp2) and its derivative, decamethylcobaltocene ( CoCp*2 ), were found to have fairly low IEs for organic compounds. Co-deposition of the n-dopants with different host molecules results in pronounced shifts of the Fermi-level towards unoccupied molecular states, indicating a significant increase in electron concentration. The Fermi-level shifts, measured with ultra-violet photoemission spectroscopy (UPS), are correlated with excess carrier densities using a model based on Fermi-Dirac (F-D) statistics and a Gaussian distributed density of states. The calculated electron densities suggest full dopant ionization at low concentrations, and diminished efficiency at high donor concentrations. The concentration of incorporated dopants is examined by chemical composition analysis of doped films using X-ray photoemission spectroscopy (XPS). Atomic concentration depth profiling determined by Rutherford backscattering (RBS) suggests that the incorporation of CoCp2 and CoCp*2 is well-controlled and the dopants are minimally diffusive. Organic films n-doped using CoCp2 and CoCp*2 show several orders of magnitude increase in current density resulting from both enhanced electron injection and increased electron conductivity in the bulk. Increases in the bulk conductivity suggest both improved electron mobility and higher electron concentrations. These findings are applied with previous work on p-doping to fabricate organic p-i-n homojunction devices that exhibit strong rectification and large built-in potentials. Heterojunction OPVs using undoped CuPc and n-doped C60 display significant increases in open-circuit voltage (Voc), short-circuit current (Isc), fill-factor (FF), and efficiency.

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.

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.

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.

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).

Electronic structures of of PuX (X=S, Se, Te)

NASA Astrophysics Data System (ADS)

Maehira, Takahiro; Sakai, Eijiro; Tatetsu, Yasutomi

2013-08-01

We have calculated the energy band structures and the Fermi surfaces of PuS, PuSe, and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in the local density approximation. In general, the energy bands near the Fermi level are mainly caused by the hybridization between the Pu 5 f and the monochalcogenide p electrons. The obtained main Fermi surfaces consisted of two hole sheets and one electron sheet, which were constructed from the band having both the Pu 5 f state and the monochalcogenide p state.

Analog Landau-He-McKellar-Wilkens quantization due to noninertial effects of the Fermi-Walker reference frame

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

Bakke, Knut

2010-05-15

We will show that when a neutral particle with permanent electric dipole moment interacts with a specific field configuration when the local reference frames of the observers are Fermi-Walker transported, the Landau quantization analog to the He-McKellar-Wilkens setup arises in the nonrelativistic quantum dynamics of the neutral particle due the noninertial effects of the Fermi-Walker reference frame. We show that the noninertial effects do not break the infinity degeneracy of the energy levels, but in this case, the cyclotron frequency depends on the angular velocity.

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

The electronic structure of Au25 clusters: between discrete and continuous.

PubMed

Katsiev, Khabiboulakh; Lozova, Nataliya; Wang, Lu; Sai Krishna, Katla; Li, Ruipeng; Mei, Wai-Ning; Skrabalak, Sara E; Kumar, Challa S S R; Losovyj, Yaroslav

2016-08-21

Here, an approach based on synchrotron resonant photoemission is employed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states in the vicinity of the Fermi level. These observations are supported by DFT studies.

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

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.

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.

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.

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.

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.

Electron phonon coupling in Ni-based binary alloys with application to displacement cascade modeling

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

Samolyuk, German D.; Stocks, George Malcolm; Stoller, Roger E.

Energy transfer between lattice atoms and electrons is an important channel of energy dissipation during displacement cascade evolution in irradiated materials. On the assumption of small atomic displacements, the intensity of this transfer is controlled by the strength of electron–phonon (el–ph) coupling. The el–ph coupling in concentrated Ni-based alloys was calculated using electronic structure results obtained within the coherent potential approximation. It was found that Ni 0.5Fe 0.5, Ni 0.5Co 0.5 and Ni 0.5Pd 0.5 are ordered ferromagnetically, whereas Ni 0.5Cr 0.5 is nonmagnetic. Since the magnetism in these alloys has a Stoner-type origin, the magnetic ordering is accompanied bymore » a decrease of electronic density of states at the Fermi level, which in turn reduces the el–ph coupling. Thus, the el–ph coupling values for all alloys are approximately 50% smaller in the magnetic state than for the same alloy in a nonmagnetic state. As the temperature increases, the calculated coupling initially increases. After passing the Curie temperature, the coupling decreases. The rate of decrease is controlled by the shape of the density of states above the Fermi level. Introducing a two-temperature model based on these parameters in 10 keV molecular dynamics cascade simulation increases defect production by 10–20% in the alloys under consideration.« less

Electron phonon coupling in Ni-based binary alloys with application to displacement cascade modeling

DOE PAGES

Samolyuk, German D.; Stocks, George Malcolm; Stoller, Roger E.

2016-04-01

Energy transfer between lattice atoms and electrons is an important channel of energy dissipation during displacement cascade evolution in irradiated materials. On the assumption of small atomic displacements, the intensity of this transfer is controlled by the strength of electron–phonon (el–ph) coupling. The el–ph coupling in concentrated Ni-based alloys was calculated using electronic structure results obtained within the coherent potential approximation. It was found that Ni 0.5Fe 0.5, Ni 0.5Co 0.5 and Ni 0.5Pd 0.5 are ordered ferromagnetically, whereas Ni 0.5Cr 0.5 is nonmagnetic. Since the magnetism in these alloys has a Stoner-type origin, the magnetic ordering is accompanied bymore » a decrease of electronic density of states at the Fermi level, which in turn reduces the el–ph coupling. Thus, the el–ph coupling values for all alloys are approximately 50% smaller in the magnetic state than for the same alloy in a nonmagnetic state. As the temperature increases, the calculated coupling initially increases. After passing the Curie temperature, the coupling decreases. The rate of decrease is controlled by the shape of the density of states above the Fermi level. Introducing a two-temperature model based on these parameters in 10 keV molecular dynamics cascade simulation increases defect production by 10–20% in the alloys under consideration.« less

A study on the high temperature-dependence of the electrical properties in a solution-deposited zinc-tin-oxide thin-film transistor operated in the saturation region

NASA Astrophysics Data System (ADS)

Yu, Kyeong Min; Bae, Byung Seong; Jung, Myunghee; Yun, Eui-Jung

2016-06-01

We investigate the effects of high temperatures in the range of 292 - 393 K on the electrical properties of solution-processed amorphous zinc-tin-oxide (a-ZTO) thin-film transistors (TFTs) operated in the saturation region. The fabricated a-ZTO TFTs have a non-patterned bottom gate and top contact structure, and they use a heavily-doped Si wafer and SiO2 as a gate electrode and a gate insulator layer, respectively. In a-ZTO TFTs, the trap release energy ( E TR ) was deduced by using Maxwell-Boltzmann statistics. The decreasing E TR toward zero with increasing gate voltage (the density of trap states ( n s )) in the a-ZTO active layer can be attributed to a shift of the Fermi level toward the mobility edge with increasing gate voltage. The TFTs with low gate voltage (low n s ) exhibit multiple trap and release characteristics and show thermally-activated behavior. In TFTs with a high gate voltage (high n s ), however, we observe decreasing mobility and conductivity with increasing temperature at temperatures ranging from 303 to 363 K. This confirms that the E TR can drop to zero, indicating a shift of the Fermi level beyond the mobility edge. Hence, the mobility edge is detected at the cusp between thermally-activated transport and band transport.

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.

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

Electronic structures of Plutonium compounds with the NaCl-type monochalcogenides structure

NASA Astrophysics Data System (ADS)

Maehira, Takahiro; Tatetsu, Yasutomi

2012-12-01

We calculate the energy band structure and the Fermi surface of PuS, PuSe and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in a local density approximation. It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between Pu 5/ and monochalcogenide p electrons. The obtained main Fermi surfaces are composed of two hole sheets and one electron sheet, all of which are constructed from the band having the Pu 5/ state and the monochalcogenide p state.

Study on the intrinsic defects in ZnO by combing first-principle and thermodynamic calculations

NASA Astrophysics Data System (ADS)

Ma, Changmin; Liu, Tingyu; Chang, Qiuxiang

2015-11-01

In this paper, the intrinsic point defects in ZnO crystal have been studied by the approach that integrates first-principles, thermodynamic calculations and the contributions of vibrational entropy. With temperature increasing and oxygen partial pressure decreasing, the formation energies of oxygen vacancy (VO), zinc interstitial (Zni) and zinc anti-site (ZnO) are decreasing, while it increases for zinc vacancy (VZn), oxygen interstitial (Oi) and oxygen anti-site (OZn). They are more sensitive to temperature than oxygen partial pressure. There are two interesting phenomena. First, VO or VZn have the lowest formation energies for whole Fermi level at special environment condition (such as at T = 300K, about PO2 = 10-10atm or T = 1500K, about PO2 = 104atm) and intrinsic p-type doping of ZnO is possible by VZn at these special conditions. Second, VO as donors have lowest formation energy for all Fermi level at high temperature and low oxygen partial pressure (T = 1500K, PO2 = 10-10atm). According to our analysis, the VO could produce n-type doping in ZnO at these special conditions and change p-type ZnO to n-type ZnO at condition from low temperature and high oxygen partial pressure to high temperature and low oxygen partial pressure.

Voltage tunable plasmon propagation in dual gated bilayer graphene

NASA Astrophysics Data System (ADS)

Farzaneh, Seyed M.; Rakheja, Shaloo

2017-10-01

In this paper, we theoretically investigate plasmon propagation characteristics in AB and AA stacked bilayer graphene (BLG) in the presence of energy asymmetry due to an electrostatic field oriented perpendicularly to the plane of the graphene sheet. We first derive the optical conductivity of BLG using the Kubo formalism incorporating energy asymmetry and finite electron scattering. All results are obtained for room temperature (300 K) operation. By solving Maxwell's equations in a dual gate device setup, we obtain the wavevector of propagating plasmon modes in the transverse electric (TE) and transverse magnetic (TM) directions at terahertz frequencies. The plasmon wavevector allows us to compare the compression factor, propagation length, and the mode confinement of TE and TM plasmon modes in bilayer and monolayer graphene sheets and also to study the impact of material parameters on plasmon characteristics. Our results show that the energy asymmetry can be harnessed to increase the propagation length of TM plasmons in BLG. AA stacked BLG shows a larger increase in the propagation length than AB stacked BLG; conversely, it is very insensitive to the Fermi level variations. Additionally, the dual gate structure allows independent modulation of the energy asymmetry and the Fermi level in BLG, which is advantageous for reconfiguring plasmon characteristics post device fabrication.

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.

Pressure effects on band structures in dense lithium

NASA Astrophysics Data System (ADS)

Goto, Naoyuki; Nagara, Hitose

2012-07-01

We studied the change of the band structures in some structures of Li predicted at high pressures, using GGA and GW calculations. The width of the 1s band coming from the 1s electron of Li shows broadening by the pressurization, which is the normal behavior of bands at high pressure. The width of the band just below the Fermi level decreases by the pressurization, which is an opposite behavior to the normal bands. The character of this narrowing band is mostly p-like with a little s-like portion. The band gaps in some structures are really observed even by the GGA calculations. The gaps by the GW calculations increase to about 1.5 times the GGA values. Generally the one-shot GW calculation (diagonal only calculations) gives more reliable values than the GGA, but it may fail to predict band gaps for the case where band dispersion shows complex crossing near the Fermi level. There remains some structures for which GW calculations with off-diagonal elements taken into account are needed to identify the phase to be metallic or semiconducting.

Kinetics of Spontaneous Bimetallization between Silver and Noble Metal Nanoparticles.

PubMed

Hirakawa, Kazutaka; Kaneko, Tetsuya; Toshima, Naoki

2018-06-05

A physical mixture of polymer-protected Ag nanoparticles and Rh, Pd, or Pt nanoparticles spontaneously forms Ag-core bimetallic nanoparticles. The formed nanoparticles were smaller than the parent Ag nanoparticles. In the initial process of this reaction, the surface plasmon absorption of Ag nanoparticles diminished and then almost ceased within one hour. Within several minutes, the decrease in Ag surface plasmon absorption could be analyzed by second-order reaction. This reaction was accelerated with an increase of temperature and the energy gap in the Fermi level between Ag and the other metals. The activation energy (E a ) of this reaction could be determined. An electron transfer reaction from Ag to other metal nanoparticles was proposed as the initial interaction between these metal nanoparticles because the Fermi level of Ag is relatively high, and the electron transfer is possible in terms of energy. The Marcus plot between the rate constant and the driving force, roughly estimated from the work function of metals, and the observed E a values reasonably explained the proposed electron transfer mechanism. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Alleviation of Fermi level pinning at metal/n-Ge interface with lattice-matched Si x Ge1‑ x ‑ y Sn y ternary alloy interlayer on Ge

NASA Astrophysics Data System (ADS)

Suzuki, Akihiro; Nakatsuka, Osamu; Sakashita, Mitsuo; Zaima, Shigeaki

2018-06-01

The impact of a silicon germanium tin (Si x Ge1‑ x ‑ y Sn y ) ternary alloy interlayer on the Schottky barrier height (SBH) of metal/Ge contacts with various metal work functions has been investigated. Lattice matching at the Si x Ge1‑ x ‑ y Sn y /Ge heterointerface is a key factor for controlling Fermi level pinning (FLP) at the metal/Ge interface. The Si x Ge1‑ x ‑ y Sn y ternary alloy interlayer having a small lattice mismatch with the Ge substrate can alleviate FLP at the metal/Ge interface significantly. A Si0.11Ge0.86Sn0.03 interlayer increases the slope parameter for the work function dependence of the SBH to 0.4. An ohmic behavior with an SBH below 0.15 eV can be obtained with Zr and Al/Si0.11Ge0.86Sn0.03/n-Ge contacts at room temperature.

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.

Fermi LAT detection of gamma-ray flaring activity from the blazar MG J221916+1806 through the Fermi All-sky Variability Analysis (FAVA)

NASA Astrophysics Data System (ADS)

Ajello, M.; Kocevski, D.; Gasparrini, D.; Buehler, R.; Thompson, D.; Ciprini, S.

2014-03-01

During the week between March 17 and March 24, 2014, the Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed increased gamma-ray activity from a source positionally coincident with the flat-spectrum radio quasar MG J221916+1806 (also known as 2FGL J2219.1+1805, Nolan et al., 2012, ApJS, 199, 31, and CGRaBS J2219+1806, Healey et al. ...

Electronic Structure of ABC-stacked Multilayer Graphene and Trigonal Warping:A First Principles Calculation

NASA Astrophysics Data System (ADS)

Yelgel, Celal

2016-04-01

We present an extensive density functional theory (DFT) based investigation of the electronic structures of ABC-stacked N-layer graphene. It is found that for such systems the dispersion relations of the highest valence and the lowest conduction bands near the K point in the Brillouin zone are characterised by a mixture of cubic, parabolic, and linear behaviours. When the number of graphene layers is increased to more than three, the separation between the valence and conduction bands decreases up until they touch each other. For five and six layer samples these bands show flat behaviour close to the K point. We note that all states in the vicinity of the Fermi energy are surface states originated from the top and/or bottom surface of all the systems considered. For the trilayer system, N = 3, pronounced trigonal warping of the bands slightly above the Fermi level is directly obtained from DFT calculations.

Optical properties of transparent glass–ceramics containing lithium–mica nanocrystals: Crystallization effect

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

Khani, V.; Alizadeh, P., E-mail: p-alizadeh@modares.ac.ir; Shakeri, M.S.

2013-09-01

Graphical abstract: Optical properties of transparent Li{sub 2}O–MgO–Al{sub 2}O{sub 3}–SiO{sub 2}–F glasses containing lithium–mica nanocrystals are studied and crystallization condition has been evaluated and optimized to produce transparent glass–ceramics. Crystallization temperatures were determined by differential thermal analysis and crystalline phases were identified and quantified by X-ray diffraction. Scanning electron microscopy was used for morphological variations and UV–vis absorption spectroscopy for comparative analysis of transparency. In order to investigate the optical properties of transparent glass–ceramics, optical band gap, Fermi energy level and Urbach energy are calculated. The results of the investigation illustrate that band gap is reduced with increases in crystallizationmore » time and temperature. Enhanced orderliness in the arrangement of atoms might be regarded as possible reasons for the above changes. - Highlights: • The optimum temperature and time of crystallization were determined. • Li–mica nanocrystals with size of <30 nm were formed using a two-step heat-treatment. • Optical band gap and Fermi energy of nanocrystalline materials decreased with increasing of crystallization temperature and time. • Urbach band tailing was decreased with increasing of crystallization condition. - Abstract: Optical properties of transparent Li{sub 2}O–MgO–Al{sub 2}O{sub 3}–SiO{sub 2}–F glasses containing lithium–mica nanocrystals were studied. The crystallization condition of these glasses was evaluated and optimized to produce transparent glass–ceramics. Crystallization temperatures were determined by differential thermal analysis and crystalline phases were identified and quantified by X-ray diffraction. Scanning electron microscopy was used to detect morphological changes and UV–vis absorption spectroscopy was used for comparative analysis of transparency. In order to investigate the optical properties of the transparent glass–ceramics, optical band gap, Fermi energy level and Urbach energy were calculated. The results of the investigation illustrate that the band gap is reduced with increases in crystallization time and temperature. Enhanced orderliness in the arrangement of atoms might be regarded as possible reasons for the above changes.« less

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

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.

A new approximation of Fermi-Dirac integrals of order 1/2 for degenerate semiconductor devices

NASA Astrophysics Data System (ADS)

AlQurashi, Ahmed; Selvakumar, C. R.

2018-06-01

There had been tremendous growth in the field of Integrated circuits (ICs) in the past fifty years. Scaling laws mandated both lateral and vertical dimensions to be reduced and a steady increase in doping densities. Most of the modern semiconductor devices have invariably heavily doped regions where Fermi-Dirac Integrals are required. Several attempts have been devoted to developing analytical approximations for Fermi-Dirac Integrals since numerical computations of Fermi-Dirac Integrals are difficult to use in semiconductor devices, although there are several highly accurate tabulated functions available. Most of these analytical expressions are not sufficiently suitable to be employed in semiconductor device applications due to their poor accuracy, the requirement of complicated calculations, and difficulties in differentiating and integrating. A new approximation has been developed for the Fermi-Dirac integrals of the order 1/2 by using Prony's method and discussed in this paper. The approximation is accurate enough (Mean Absolute Error (MAE) = 0.38%) and easy enough to be used in semiconductor device equations. The new approximation of Fermi-Dirac Integrals is applied to a more generalized Einstein Relation which is an important relation in semiconductor devices.

Lifetime of Feshbach dimers in a Fermi-Fermi mixture of 6Li and 40K

NASA Astrophysics Data System (ADS)

Jag, M.; Cetina, M.; Lous, R. S.; Grimm, R.; Levinsen, J.; Petrov, D. S.

2016-12-01

We present a joint experimental and theoretical investigation of the lifetime of weakly bound dimers formed near narrow interspecies Feshbach resonances in mass-imbalanced Fermi-Fermi systems, considering the specific example of a mixture of 6Li and 40K atoms. Our work addresses the central question of the increase in the stability of the dimers resulting from Pauli suppression of collisional losses, which is a well-known effect in mass-balanced fermionic systems near broad resonances. We present measurements of the spontaneous dissociation of dimers in dilute samples, and of the collisional losses in dense samples arising from both dimer-dimer processes and from atom-dimer processes. We find that all loss processes are suppressed close to the Feshbach resonance. Our general theoretical approach for fermionic mixtures near narrow Feshbach resonances provides predictions for the suppression of collisional decay as a function of the detuning from resonance, and we find excellent agreement with the experimental benchmarks provided by our 40K-6Li system. We finally present model calculations for other Feshbach-resonant Fermi-Fermi systems, which are of interest for experiments in the near future.

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

Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons

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

Yang, Xi-Feng; Zhou, Wen-Qian; Hong, Xue-Kun

2015-01-14

Ab initio calculations combining density-functional theory and nonequilibrium Green’s function are performed to investigate the effects of either single B atom or single N atom dopant in zigzag-edged graphene nanoribbons (ZGNRs) with the ferromagnetic state on the spin-dependent transport properties and thermospin performances. A spin-up (spin-down) localized state near the Fermi level can be induced by these dopants, resulting in a half-metallic property with 100% negative (positive) spin polarization at the Fermi level due to the destructive quantum interference effects. In addition, the highly spin-polarized electric current in the low bias-voltage regime and single-spin negative differential resistance in the highmore » bias-voltage regime are also observed in these doped ZGNRs. Moreover, the large spin-up (spin-down) Seebeck coefficient and the very weak spin-down (spin-up) Seebeck effect of the B(N)-doped ZGNRs near the Fermi level are simultaneously achieved, indicating that the spin Seebeck effect is comparable to the corresponding charge Seebeck effect.« 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.

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.

Quasi-Fermi level splitting and sub-bandgap absorptivity from semiconductor photoluminescence

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

Katahara, John K.; Hillhouse, Hugh W., E-mail: h2@uw.edu

A unified model for the direct gap absorption coefficient (band-edge and sub-bandgap) is developed that encompasses the functional forms of the Urbach, Thomas-Fermi, screened Thomas-Fermi, and Franz-Keldysh models of sub-bandgap absorption as specific cases. We combine this model of absorption with an occupation-corrected non-equilibrium Planck law for the spontaneous emission of photons to yield a model of photoluminescence (PL) with broad applicability to band-band photoluminescence from intrinsic, heavily doped, and strongly compensated semiconductors. The utility of the model is that it is amenable to full-spectrum fitting of absolute intensity PL data and yields: (1) the quasi-Fermi level splitting, (2) themore » local lattice temperature, (3) the direct bandgap, (4) the functional form of the sub-bandgap absorption, and (5) the energy broadening parameter (Urbach energy, magnitude of potential fluctuations, etc.). The accuracy of the model is demonstrated by fitting the room temperature PL spectrum of GaAs. It is then applied to Cu(In,Ga)(S,Se){sub 2} (CIGSSe) and Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) to reveal the nature of their tail states. For GaAs, the model fit is excellent, and fitted parameters match literature values for the bandgap (1.42 eV), functional form of the sub-bandgap states (purely Urbach in nature), and energy broadening parameter (Urbach energy of 9.4 meV). For CIGSSe and CZTSSe, the model fits yield quasi-Fermi leveling splittings that match well with the open circuit voltages measured on devices made from the same materials and bandgaps that match well with those extracted from EQE measurements on the devices. The power of the exponential decay of the absorption coefficient into the bandgap is found to be in the range of 1.2 to 1.6, suggesting that tunneling in the presence of local electrostatic potential fluctuations is a dominant factor contributing to the sub-bandgap absorption by either purely electrostatic (screened Thomas-Fermi) or a photon-assisted tunneling mechanism (Franz-Keldysh). A Gaussian distribution of bandgaps (local E{sub g} fluctuation) is found to be inconsistent with the data. The sub-bandgap absorption of the CZTSSe absorber is found to be larger than that for CIGSSe for materials that yield roughly equivalent photovoltaic devices (8% efficient). Further, it is shown that fitting only portions of the PL spectrum (e.g., low energy for energy broadening parameter and high energy for quasi-Fermi level splitting) may lead to significant errors for materials with substantial sub-bandgap absorption and emission.« less

Terrestrial Gamma-ray Flashes (TGFs) Observed with the Fermi-Gamma-ray Burst Monitor: Temporal and Spectral Properties

NASA Technical Reports Server (NTRS)

Fishman, G. J.; Briggs, M. S.; Connaughton, W.; Wilson-Hodge, C.; Bhat, P. N.

2010-01-01

The Gamma-ray Burst Monitor (GBM) on the Fermi Gamma-ray Space Telescope Observatory (Fermi) was detecting 2.1 TGFs per week. This rate has increased by a factor of 8 since new flight software was uploaded to the spacecraft in November 2009 in order to increase the sensitivity of GBM to TGFs. Further upgrades to Fermi-GBM to allow observations of weaker TGFs are in progress. The high time resolution (2 s) allows temporal features to be resolved so that some insight may be gained on the origin and transport of the gamma-ray photons through the atmosphere. The absolute time of the TGFs, known to several microseconds, also allows accurate correlations of TGFs with lightning networks and other lightning-related phenomena. The thick bismuth germanate (BGO) scintillation detectors of the GBM system have observed photon energies from TGFs at energies above 40 MeV. New results on the some temporal aspects of TGFs will be presented along with spectral characteristics and properties of several electron-positron TGF events that have been identified.

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

Milagro Observations of Potential TeV Emitters

NASA Technical Reports Server (NTRS)

Abdo, A. A.; Abeysekara, A. U.; Allen, B. T.; Aune, T.; Barber, A. S.; Berley, D.; Braun, J.; Chen, C.; Christopher, G. E.; DeYoung, T.;

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.

Closed-channel contribution in the BCS-BEC crossover regime of an ultracold Fermi gas with an orbital Feshbach resonance

NASA Astrophysics Data System (ADS)

Mondal, S.; Inotani, D.; Ohashi, Y.

2018-03-01

We theoretically investigate strong-coupling properties of an ultracold Fermi gas with an orbital Feshbach resonance (OFR). Including tunable pairing interaction associated with an OFR within the framework of the strong-coupling theory developed by Nozières and Schmitt-Rink (NSR), we examine the occupation of the closed channel. We show that, although the importance of the closed channel is characteristic of the system with an OFR, the occupation number of the closed channel is found to actually be very small at the superfluid phase transition temperature T c, in the whole BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein condensation) crossover region, when we use the scattering parameters for an ultracold 173Yb Fermi gas. The occupation of the closed channel increases with increasing the temperature above T c, which is more remarkable for a stronger pairing interaction. We also present a prescription to remove effects of an experimentally inaccessible deep bound state from the NSR formalism, which we meet when we theoretically deal with a 173Yb Fermi gas with an OFR.

Surface photovoltage spectroscopy applied to gallium arsenide surfaces

NASA Technical Reports Server (NTRS)

Bynik, C. E.

1975-01-01

The experimental and theoretical basis for surface photovoltage spectroscopy is outlined. Results of this technique applied to gallium arsenide surfaces, are reviewed and discussed. The results suggest that in gallium arsenide the surface voltage may be due to deep bulk impurity acceptor states that are pinned at the Fermi level at the surface. Establishment of the validity of this model will indicate the direction to proceed to increase the efficiency of gallium arsenide solar cells.

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.

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

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

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

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.

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.

Fermi energy dependence of the optical emission in core/shell InAs nanowire homostructures

NASA Astrophysics Data System (ADS)

Möller, M.; Oliveira, D. S.; Sahoo, P. K.; Cotta, M. A.; Iikawa, F.; Motisuke, P.; Molina-Sánchez, A.; de Lima, M. M., Jr.; García-Cristóbal, A.; Cantarero, A.

2017-07-01

InAs nanowires grown by vapor-liquid-solid (VLS) method are investigated by photoluminescence. We observe that the Fermi energy of all samples is reduced by ˜20 meV when the size of the Au nanoparticle used for catalysis is increased from 5 to 20 nm. Additional capping with a thin InP shell enhances the optical emission and does not affect the Fermi energy. The unexpected behavior of the Fermi energy is attributed to the differences in the residual donor (likely carbon) incorporation in the axial (low) and lateral (high incorporation) growth in the VLS and vapor-solid (VS) methods, respectively. The different impurity incorporation rate in these two regions leads to a core/shell InAs homostructure. In this case, the minority carriers (holes) diffuse to the core due to the built-in electric field created by the radial impurity distribution. As a result, the optical emission is dominated by the core region rather than by the more heavily doped InAs shell. Thus, the photoluminescence spectra and the Fermi energy become sensitive to the core diameter. These results are corroborated by a theoretical model using a self-consistent method to calculate the radial carrier distribution and Fermi energy for distinct diameters of Au nanoparticles.

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.

Determination of Fermi contour and spin polarization of ν = 3 2 composite fermions via ballistic commensurability measurements

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

Kamburov, D.; Mueed, M. A.; Jo, I.

2014-12-01

We report ballistic transport commensurability minima in the magnetoresistance of nu = 3/2 composite fermions (CFs). The CFs are formed in high-quality two-dimensional electron systems confined to wide GaAs quantum wells and subjected to an in-plane, unidirectional periodic potential modulation. We observe a slight asymmetry of the CF commensurability positions with respect to nu = 3/2, which we explain quantitatively by comparing three CF density models and concluding that the nu = 3/2 CFs are likely formed by the minority carriers in the upper energy spin state of the lowest Landau level. Our data also allow us to probe themore » shape and size of the CF Fermi contour. At a fixed electron density of similar or equal to 1.8x10(11) cm(-2), as the quantum well width increases from 30 to 60 nm, the CFs show increasing spin polarization. We attribute this to the enhancement of the Zeeman energy relative to the Coulomb energy in wider wells where the latter is softened because of the larger electron layer thickness. The application of an additional parallel magnetic field (B-parallel to) leads to a significant distortion of the CF Fermi contour as B-parallel to couples to the CFs' out-of-plane orbital motion. The distortion is much more severe compared to the nu = 1/2 CF case at comparable B-parallel to. Moreover, the applied B-parallel to further spin-polarizes the nu = 3/2 CFs as deduced from the positions of the commensurability minima.« less

Strain effect on the photoluminescence property of gold nanoclusters

NASA Astrophysics Data System (ADS)

Saravanan, K.; David, C.; Jayalakshmi, G.; Panigrahi, B. K.; Avasthi, D. K.

2018-02-01

Herein, we report the temperature-dependent photoluminescence (PL) properties of Au nanoclusters (NCs) embedded in a Si matrix. Gold NCs have been synthesized in Si by a multistep procedure that involves ion implantation and gold decoration by drive in annealing. Transmission electron microscopic studies reveal profuse nucleation of Au NCs, with mean sizes of ˜8 nm in the near-surface region. PL measurements in the range of 2 eV to 3.65 eV were carried out in the temperature range of 5 K to 300 K. The Au NCs exhibit PL emissions at 3 eV and 2.5 eV; these are attributed to the recombination of sp-band electrons with the holes of a deep lying d-band below the Fermi level in the vicinity of the L symmetry point of the Brillouin zone and the recombination of sp band electrons with the holes of the first d band below the Fermi level in the vicinity of the X symmetry point of the Brillouin zone, respectively. Temperature-dependent PL measurements show that the PL intensity of Au NCs initially decreases with the increase of temperature up to 50 K, and, thereafter, the intensity starts to increase and reaches a maximum at 150 K. A further increase in temperature causes the intensity to decrease. However, the PL intensity of Au NCs embedded in a sapphire matrix monotonically decreases with the increase of temperature. The present work discusses the plausible mechanism behind this unusual PL behaviour by invoking the role of strain at the NC-matrix interface.

Fermi's Motion Produces a Study in Spirograph

NASA Image and Video Library

2013-02-27

Final still from Fermi video [bit.ly/Y2K4LN]. Credit: NASA/DOE/Fermi LAT Collaboration ----- NASA's Fermi Gamma-ray Space Telescope orbits our planet every 95 minutes, building up increasingly deeper views of the universe with every circuit. Its wide-eyed Large Area Telescope (LAT) sweeps across the entire sky every three hours, capturing the highest-energy form of light -- gamma rays -- from sources across the universe. These range from supermassive black holes billions of light-years away to intriguing objects in our own galaxy, such as X-ray binaries, supernova remnants and pulsars. Now a Fermi scientist has transformed LAT data of a famous pulsar into a mesmerizing movie that visually encapsulates the spacecraft's complex motion. Click here to continue reading: 1.usa.gov/WhYwCU NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Quasiparticle energy bands and Fermi surfaces of monolayer NbSe2

NASA Astrophysics Data System (ADS)

Kim, Sejoong; Son, Young-Woo

2017-10-01

A quasiparticle band structure of a single layer 2 H -NbSe2 is reported by using first-principles G W calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape when comparing those using conventional mean-field calculation methods. Owing to a broken inversion symmetry in the trigonal prismatic single layer structure, the spin-orbit interaction is included and its impact on the Fermi surface and quasiparticle energy bands are discussed. We also calculate the doping dependent static susceptibilities from the band structures obtained by the mean-field calculation as well as G W calculation with and without spin-orbit interactions. A complete tight-binding model is constructed within the three-band third nearest neighbor hoppings and is shown to reproduce our G W quasiparticle energy bands and Fermi surface very well. Considering variations of the Fermi surface shapes depending on self-energy corrections and spin-orbit interactions, we discuss the formations of charge density wave (CDW) with different dielectric environments and their implications on recent controversial experimental results on CDW transition temperatures.

Field emission of silicon emitter arrays coated with sol-gel (Ba0.65Sr0.35)1-xLaxTiO3 thin films

NASA Astrophysics Data System (ADS)

Lu, H.; Pan, J. S.; Chen, X. F.; Zhu, W. G.

2007-07-01

(Ba0.65Sr0.35)1-xLaxTiO3 (BSLT) thin films with different La concentrations have been deposited on Si field emitter arrays (FEAs) using sol-gel technology for field electron emission applications. The films exhibit the perovskite structure at low La substitution level (x ≤0.5) and the pyrochlore phase at high La concentration (x ≥0.75). The 30-nm-thick BSLT (x =0.25) thin film has higher crystallinity of perovskite structure in the surface region. An x-ray photoelectron spectroscopy study indicates that the oxygen vacancy concentration decreases with La substitution. With respect to the undoped Ba0.65Sr0.35TiO3 thin film, the Fermi level shifts down for the BSLT sample with x =0.1 ascribed to the decreasing oxygen vacancy concentration, and then shifts up for the BSLT sample with x =0.25 attributed to the increasing La substitution level. In highly doped films with an x value over 0.5, it shifts down again associated with the second pyrochlore phase formation. The best enhancement in field emission is found for the BSLT-coated (x =0.25) Si FEAs due to the improved perovskite structure in the surface region and up-moved Fermi level of the coating.

Fermi LAT detection of increased gamma-ray activity from the blazar TXS 1318+225

NASA Astrophysics Data System (ADS)

Torresi, E.; D'Ammando, F.; Tanaka, Y.

2012-11-01

The Large Area Telescope (LAT) onboard the Fermi Gamma-ray Space Telescope, has observed an increase in the gamma-ray flux from a source positionally consistent with the flat spectrum radio quasar TXS 1318+225 (z=0.943, Sowards-Emmerd et al. 2003, ApJ, 590, 109; RA=200.2966771 deg, Dec=22.2700300 deg, J2000), also known as 2FGL J1321.1+2215 (Nolan et al. 2012, ApJS, 199, 31).

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.

Recent Results on SNRs and PWNe from the Fermi Large Area Telescope

NASA Technical Reports Server (NTRS)

Hays, Elizabeth

2010-01-01

a) Symbiotic Binary System: White dwarf + red giant system. b) Nova: White dwarf builds up mass envelope to the point of thermonuclear fusion. c) Dramatic increase in visual magnitude. d) Recurrent Nova? e) Hints but no strong confirmation of previous nova f) Pre-nova activity: 1) White dwarf shows ongoing variability at level of several in magnitude. 2) V407 Cyg companion is a Mira star showing variability at level of several in magnitude. g) Origin of the gamma rays? 1) Strong shock propagating into dense medium around giant star land stellar wind. 2) Pion decay or electron processes?

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

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

Unusual single-ion non-fermi-liquid behavior in Ce(1-x)LaxNi9Ge4.

PubMed

Killer, U; Scheidt, E-W; Eickerling, G; Michor, H; Sereni, J; Pruschke, Th; Kehrein, S

2004-11-19

We report on specific heat, magnetic susceptibility, and resistivity measurements on the compound Ce(1-x)LaxNi9Ge4 for various concentrations ranging from the stoichiometric system with x = 0 to the dilute limit x = 0.95. Our data reveal single-ion scaling with the Ce concentration and the largest ever recorded value of the electronic specific heat Deltac/T approximately 5.5 J K-2 mol(-1) at T = 0.08 K for the stoichiometric compound x = 0 without any trace of magnetic order. While in the doped samples Deltac/T increases logarithmically below 3 K down to 50 mK, their magnetic susceptibility behaves Fermi-liquid-like below 1 K. These properties make the compound Ce(1-x)LaxNi9Ge4 a unique system on the borderline between Fermi-liquid and non-Fermi-liquid physics.

String theory, quantum phase transitions, and the emergent Fermi liquid.

PubMed

Cubrović, Mihailo; Zaanen, Jan; Schalm, Koenraad

2009-07-24

A central problem in quantum condensed matter physics is the critical theory governing the zero-temperature quantum phase transition between strongly renormalized Fermi liquids as found in heavy fermion intermetallics and possibly in high-critical temperature superconductors. We found that the mathematics of string theory is capable of describing such fermionic quantum critical states. Using the anti-de Sitter/conformal field theory correspondence to relate fermionic quantum critical fields to a gravitational problem, we computed the spectral functions of fermions in the field theory. By increasing the fermion density away from the relativistic quantum critical point, a state emerges with all the features of the Fermi liquid.

VizieR Online Data Catalog: Fermi-LAT flaring gamma-ray sources from FAVA (Ackermann+, 2013)

NASA Astrophysics Data System (ADS)

Ackermann, M.; Ajello, M.; Albert, A.; Allafort, A.; Antolini, E.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Bottacini, E.; Bouvier, A.; Brandt, T. J.; Bregeon, J.; Brigida, M.; Bruel, P.; Buehler, R.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Caraveo, P. A.; Cavazzuti, E.; Cecchi, C.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiang, J.; Chiaro, G.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Conrad, J.; Cutini, S.; Dalton, M.; D'Ammando, F.; de Angelis, A.; de Palma, F.; Dermer, C. D.; di Venere, L.; Drell, P. S.; Drlica-Wagner, A.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Focke, W. B.; Franckowiak, A.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Germani, S.; Giglietto, N.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Grenier, I. A.; Grondin, M.-H.; Grove, J. E.; Guiriec, S.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Hewitt, J.; Hill, A. B.; Horan, D.; Hou, X.; Hughes, R. E.; Inoue, Y.; Jackson, M. S.; Jogler, T.; Johannesson, G.; Johnson, W. N.; Kamae, T.; Kataoka, J.; Kawano, T.; Knodlseder, J.; Kuss, M.; Lande, J.; Larsson, S.; Latronico, L.; Lemoine-Goumard, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Mayer, M.; Mazziotta, M. N.; McEnery, J. E.; Michelson, P. F.; Mitthumsiri, W.; Mizuno, T.; Monte, C.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nemmen, R.; Nuss, E.; Ohsugi, T.; Okumura, A.; Omodei, N.; Orienti, M.; Orlando, E.; Ormes, J. F.; Paneque, D.; Panetta, J. H.; Perkins, J. S.; Pesce-Rollins, M.; Piron, F.; Pivato, G.; Porter, T. A.; Raino, S.; Rando, R.; Razzano, M.; Reimer, A.; Reimer, O.; Romoli, C.; Roth, M.; Sanchez-Conde, M.; Scargle, J. D.; Schulz, A.; Sgro, C.; Siskind, E. J.; Spandre, G.; Spinelli, P.; Suson, D. J.; Takahashi, H.; Takeuchi, Y.; Thayer, J. G.; Thayer, J. B.; Thompson, D. J.; Tibaldo, L.; Tinivella, M.; Torres, D. F.; Tosti, G.; Troja, E.; Tronconi, V.; Usher, T. L.; Vandenbroucke, J.; Vasileiou, V.; Vianello, G.; Vitale, V.; Winer, B. L.; Wood, K. S.; Wood, M.; Yang, Z.

2015-01-01

We applied FAVA (Fermi All-sky Variability Analysis) to the first 47 months of Fermi/LAT observations (2008 August 4 to 2012 July 16 UTC), in weekly time intervals. The total number of weeks is 206. We considered two ranges of gamma-ray energy, E>100MeV and E>800MeV, to increase the sensitivity for spectrally soft and hard flares, respectively. We generate measured and expected count maps with a resolution of 0.25deg2 per pixel. We found LAT counterparts for 192 of the 215 FAVA sources. Most of the associated sources, 177, are AGNs. (2 data files).

Electrical Study of Trapped Charges in Copper-Doped Zinc Oxide Films by Scanning Probe Microscopy for Nonvolatile Memory Applications

PubMed Central

Su, Ting; Zhang, Haifeng

2017-01-01

Charge trapping properties of electrons and holes in copper-doped zinc oxide (ZnO:Cu) films have been studied by scanning probe microscopy. We investigated the surface potential dependence on the voltage and duration applied to the copper-doped ZnO films by Kelvin probe force microscopy. It is found that the Fermi Level of the 8 at.% Cu-doped ZnO films shifted by 0.53 eV comparing to undoped ZnO films. This shift indicates significant change in the electronic structure and energy balance in Cu-doped ZnO films. The Fermi Level (work function) of zinc oxide films can be tuned by Cu doping, which are important for developing this functional material. In addition, Kelvin probe force microscopy measurements demonstrate that the nature of contact at Pt-coated tip/ZnO:Cu interface is changed from Schottky contact to Ohmic contact by increasing sufficient amount of Cu ions. The charge trapping property of the ZnO films enhance greatly by Cu doping (~10 at.%). The improved stable bipolar charge trapping properties indicate that copper-doped ZnO films are promising for nonvolatile memory applications. PMID:28135335

Sub-band-gap absorption in Ga2O3

NASA Astrophysics Data System (ADS)

Peelaers, Hartwin; Van de Walle, Chris G.

2017-10-01

β-Ga2O3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga2O3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 1020 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27-0.28 me to 0.35-0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 103 cm-1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level.

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

DOE PAGES

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

2016-11-22

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

Transport properties and electronic structure of Na0.28PtSi

NASA Astrophysics Data System (ADS)

Itahara, Hiroshi; Suzumura, Akitoshi; Oh, Song-Yul

2017-07-01

We have investigated the electronic structure and properties of Na0.28PtSi, which is a Pt-based intermetallic compound with no reported physical properties. Na0.28PtSi powder with an average grain size of 15 µm was demonstrated to be stable in a strongly acidic aqueous solution. The ab initio calculations revealed that there is a band crossing the Fermi level and that the density of states (DOS) under the Fermi level mainly consists of d orbitals of Pt atoms. Here, we used the model of Na0.25PtSi with an approximately ordered structure (space group I4, full Na site occupation), which was set instead of the reported statistically disordered structure of Na0.28PtSi (I4/mcm, Na site occupancy: 0.258). The calculated electronic structure corresponded to the measured metallic properties of the Na0.28PtSi sintered body: i.e., the electrical resistivity of Na0.28PtSi was increased from 1.77 × 10-8 Ω m at 30 K to 2.67 × 10-7 Ω m at 300 K and the Seebeck coefficient was 0.11 µV K-1 at 300 K.

Reduction of Fermi level pinning and recombination at polycrystalline CdTe surfaces by laser irradiation

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

Simonds, Brian J.; Kheraj, Vipul; Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007

2015-06-14

Laser processing of polycrystalline CdTe is a promising approach that could potentially increase module manufacturing throughput while reducing capital expenditure costs. For these benefits to be realized, the basic effects of laser irradiation on CdTe must be ascertained. In this study, we utilize surface photovoltage spectroscopy (SPS) to investigate the changes to the electronic properties of the surface of polycrystalline CdTe solar cell stacks induced by continuous-wave laser annealing. The experimental data explained within a model consisting of two space charge regions, one at the CdTe/air interface and one at the CdTe/CdS junction, are used to interpret our SPS results.more » The frequency dependence and phase spectra of the SPS signal are also discussed. To support the SPS findings, low-temperature spectrally-resolved photoluminescence and time-resolved photoluminescence were also measured. The data show that a modest laser treatment of 250 W/cm{sup 2} with a dwell time of 20 s is sufficient to reduce the effects of Fermi level pinning at the surface due to surface defects.« less

Direct Evidence for Delocalization of Charge Carriers at the Fermi Level in a Doped Conducting Polymer

NASA Astrophysics Data System (ADS)

Zhuo, Jing-Mei; Zhao, Li-Hong; Chia, Perq-Jon; Sim, Wee-Sun; Friend, Richard H.; Ho, Peter K. H.

2008-05-01

The infrared absorption spectrum of the polaron charges at the Fermi level EF in a heavily p-doped conducting poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonic acid) film has been measured using interferogram-modulated Fourier-transform charge-modulation spectroscopy. The spectrum indicates softer phonons and weaker electron-phonon coupling riding on a strongly redshifted Drude-like electronic transition, different from the population-averaged “bulk” spectrum. This provides direct evidence that the EF holes are sufficiently delocalized even in such disordered materials to reside in an energy continuum (band states) while the rest of the hole population resides in self-localized gap states.

One- and two-channel Kondo model with logarithmic Van Hove singularity: A numerical renormalization group solution

NASA Astrophysics Data System (ADS)

Zhuravlev, A. K.; Anokhin, A. O.; Irkhin, V. Yu.

2018-02-01

Simple scaling consideration and NRG solution of the one- and two-channel Kondo model in the presence of a logarithmic Van Hove singularity at the Fermi level is given. The temperature dependences of local and impurity magnetic susceptibility and impurity entropy are calculated. The low-temperature behavior of the impurity susceptibility and impurity entropy turns out to be non-universal in the Kondo sense and independent of the s-d coupling J. The resonant level model solution in the strong coupling regime confirms the NRG results. In the two-channel case the local susceptibility demonstrates a non-Fermi-liquid power-law behavior.

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 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 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.

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.

Hund's Induced Fermi-Liquid Instabilities and Enhanced Quasiparticle Interactions.

PubMed

De' Medici, Luca

2017-04-21

Hund's coupling is shown to generally favor, in a doped half-filled Mott insulator, an increase in the compressibility culminating in a Fermi-liquid instability towards phase separation. The largest effect is found near the frontier between an ordinary and an orbitally decoupled ("Hund's") metal. The increased compressibility implies an enhancement of quasiparticle scattering, thus favoring other possible symmetry breakings. This physics is shown to happen in simulations of the 122 Fe-based superconductors, possibly implying the relevance of this mechanism in the enhancement of the critical temperature for superconductivity.

Fermi surfaces, spin-mixing parameter, and colossal anisotropy of spin relaxation in transition metals from ab initio theory

NASA Astrophysics Data System (ADS)

Zimmermann, Bernd; Mavropoulos, Phivos; Long, Nguyen H.; Gerhorst, Christian-Roman; Blügel, Stefan; Mokrousov, Yuriy

2016-04-01

The Fermi surfaces and Elliott-Yafet spin-mixing parameter (EYP) of several elemental metals are studied by ab initio calculations. We focus first on the anisotropy of the EYP as a function of the direction of the spin-quantization axis [B. Zimmermann et al., Phys. Rev. Lett. 109, 236603 (2012), 10.1103/PhysRevLett.109.236603]. We analyze in detail the origin of the gigantic anisotropy in 5 d hcp metals as compared to 5 d cubic metals by band structure calculations and discuss the stability of our results against an applied magnetic field. We further present calculations of light (4 d and 3 d ) hcp crystals, where we find a huge increase of the EYP anisotropy, reaching colossal values as large as 6000 % in hcp Ti. We attribute these findings to the reduced strength of spin-orbit coupling, which promotes the anisotropic spin-flip hot loops at the Fermi surface. In order to conduct these investigations, we developed an adapted tetrahedron-based method for the precise calculation of Fermi surfaces of complicated shape and accurate Fermi-surface integrals within the full-potential relativistic Korringa-Kohn-Rostoker Green function method.

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.

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.

Photoluminescence inhomogeneity and excitons in CVD-grown monolayer WS2

NASA Astrophysics Data System (ADS)

Ren, Dan-Dan; Qin, Jing-Kai; Li, Yang; Miao, Peng; Sun, Zhao-Yuan; Xu, Ping; Zhen, Liang; Xu, Cheng-Yan

2018-06-01

Transition metal dichalcogenides two-dimensional materials are of great importance for future electronic and optoelectronic applications. In this work, triangular WS2 monolayers with size up to 130 μm were prepared via chemical vapor deposition method. WS2 monolayers presented uniform Raman intensity, while quenched photoluminescence (PL) was observed in the center. The PL quenching in the central part of WS2 monolayer flakes was attributed to the gradually increasing sulfur vacancies toward the center. The proportion of negative trion (X-) in PL spectrum increases with increasing sulfur vacancies in WS2. The enhanced binding energy of X- suggests higher Fermi level and n-doping level with larger sulfur vacancy concentration. Our findings may be beneficial to the development of integrated devices, and also explore the defect-induced optical and electrical properties for nanophotonics.

Effect of lateral size and thickness on the electronic structure and optical properties of quasi two-dimensional CdSe and CdS nanoplatelets

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

Bose, Sumanta; Fan, W. J., E-mail: ewjfan@ntu.edu.sg; Zhang, D. H.

2016-04-14

The effect of lateral size and vertical thickness of CdSe and CdS nanoplatelets (NPLs) on their electronic structure and optical properties are investigated using an effective-mass envelope function theory based on the 8-band k ⋅ p model with valence force field considerations. Volumetrically larger NPLs have lower photon emission energy due to limited quantum confinement, but a greater transition matrix element (TME) due to larger electron-hole wavefunction overlap. The optical gain characteristics depend on several factors such as TME, Fermi factor, carrier density, NPL dimensions, material composition, and dephasing rate. There is a red shift in the peak position, moremore » so with an increase in thickness than lateral size. For an increasing carrier density, the gain spectrum undergoes a slight blue shift due to band filling effect. For a fixed carrier density, the Fermi factor is higher for volumetrically larger NPLs and so is the difference between the quasi-Fermi level separation and the effective bandgap. The transparency injection carrier density (and thus input current density threshold) is dimension dependent and falls for volumetrically larger NPLs, as they can attain the requisite exciton count for transparency with a relatively lower density. Between CdSe and CdS, CdSe has lower emission energy due to smaller bandgap, but a higher TME due to lower effective mass. CdS, however, has a higher so hole contribution due to a lower spin-orbit splitting energy. Both CdSe and CdS NPLs are suitable candidates for short-wavelength LEDs and lasers in the visible spectrum, but CdSe is expected to exhibit better optical performance.« less

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.

7th International Fermi Symposium

NASA Astrophysics Data System (ADS)

2017-10-01

The two Fermi instruments have been surveying the high-energy sky since August 2008. The Large Area Telescope (LAT) has discovered more than three thousand gamma-ray sources and many new source classes, bringing the importance of gamma-ray astrophysics to an ever-broadening community. The LAT catalog includes supernova remnants, pulsar wind nebulae, pulsars, binary systems, novae, several classes of active galaxies, starburst galaxies, normal galaxies, and a large number of unidentified sources. Continuous monitoring of the high-energy gamma-ray sky has uncovered numerous outbursts from a wide range of transients. Fermi LAT's study of diffuse gamma-ray emission in our Galaxy revealed giant bubbles, as well as an excess of gamma-rays from the Galactic center region, both observations have become exciting puzzles for the astrophysics community. The direct measurement of a harder-than- expected cosmic-ray electron spectrum may imply the presence of nearby cosmic-ray accelerators. LAT data have provided stringent constraints on new phenomena such as supersymmetric dark-matter annihilations as well as tests of fundamental physics. The full reprocessing of the entire mission dataset with Pass 8 includes improved event reconstruction, a wider energy range, better energy measurements, and significantly increased effective area, all them boosting the discovery potential and the ability to do precision observations with LAT. The Gamma-ray Burst Monitor (GBM) continues to be a prolific detector of gamma-ray transients: magnetars, solar flares, terrestrial gamma-ray flashes and gamma-ray bursts at keV to MeV energies, complementing the higher energy LAT observations of those sources in addition to providing valuable science return in their own right. All gamma-ray data are made immediately available at the Fermi Science Support Center (http://fermi.gsfc.nasa.gov/ssc). These publicly available data and Fermi analysis tools have enabled a large number of important studies. We especially encourage guest investigators worldwide to participate in this symposium to share results and to learn about upcoming opportunities. This meeting will focus on the new scientific investigations and results enabled by Fermi, the mission and instrument characteristics, future opportunities, coordinated observations and analysis techniques. In particular, we also encourage discussion of future prospects/science with Fermi in preparation for the upcoming NASA senior review. Details on the 7th International Fermi Symposium can be found here: https://events.mpe.mpg.de/Fermi2017

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

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

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 .

Pairing in a dry Fermi sea

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

Maier, Thomas A.; Staar, Peter; Mishra, V.

In the traditional Bardeen–Cooper–Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. In this paper, wemore » report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. Finally, in contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin–fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability.« less

Pairing in a dry Fermi sea

DOE PAGES

Maier, Thomas A.; Staar, Peter; Mishra, V.; ...

2016-06-17

In the traditional Bardeen–Cooper–Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. In this paper, wemore » report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. Finally, in contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin–fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability.« less

Time Domain Astronomy with Fermi GBM in the Multi-messenger Era

NASA Astrophysics Data System (ADS)

Wilson-Hodge, Colleen A.; Fermi GBM team, GBM-LIGO team

2018-01-01

As the Multi-Messenger era begins with detections of gravitational waves with LIGO/Virgo and neutrinos with IceCube, the Fermi Gamma-ray Burst Monitor (GBM) provides context observations of gamma-ray transients between 8 keV and 40 MeV. Fermi GBM has a wide field of view, high uptime, and both in-orbit triggering and high time resolution continuous data enabling offline searches for weaker transients. GBM detects numerous gamma-ray bursts (GRBs), soft gamma-ray repeaters, X-ray bursters, solar flares and terrestrial gamma-ray flashes. Longer timescale transients, predominantly in our galaxy so far, are detected using the Earth occultation technique and epoch-folding for periodic sources. The GBM team has developed two ground-based searches to enhance detections of faint transients, especially short GRBs. The targeted search uses the time and location of an event detected with another instrument to coherently search the GBM data, increasing the sensitivity to a transient. The untargeted search agnostically searches the GBM data for all directions and times to find weaker transients. This search finds about 80 short GRBs per year, adding to the 40 per year triggered on-orbit. With its large field of view, high duty cycle and increasingly sophisticated detection methods, Fermi GBM is expected to have a major role in the Multi-Messenger era.

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

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

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

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.

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

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

Role of 5f electrons in the structural stability of light actinide (Th-U) mononitrides under pressure.

PubMed

Modak, P; Verma, Ashok K

2016-03-28

Pressure induced structural sequences and their mechanism for light actinide (Th-U) mononitrides were studied as a function of 5f-electron number using first-principles total energy and electronic structure calculations. Zero pressure lattice constants, bulk module and C11 elastic module vary systematically with 5f-electron number implying its direct role on crystal binding. There is a critical 5f-electron number below which the system makes B1-B2 and above it B1-R3̄m-B2 structural sequence under pressure. Also, the B1-B2 transition pressure increases with increasing 5f-electron number whereas an opposite trend is obtained for the B1-R3̄m transition pressure. The ascending of N p anti-bonding states through the Fermi level at high pressure is responsible for the structural instability of the system. Above the critical 5f-electron number in the system a narrow 5f-band occurs very close to the Fermi level which allows the system to lower its symmetry via band Jahn-Teller type lattice distortion and the system undergoes a B1-R3̄m phase transition. However, below the critical 5f-electron number this mechanism is not favorable due to a lack of sufficient 5f-state occupancy and thus the system undergoes a B1-B2 phase transition like other ionic solids.

Development of a Thermal Rectifier Usable at High Temperature

NASA Astrophysics Data System (ADS)

Takeuchi, Tsunehiro; Goto, Hiroki; Toyama, Yasuhiro; Itoh, Takashi; Mikami, Masashi

2011-05-01

By using Al-based metallic alloys characterized by a disordered structure and a narrow pseudogap of a few hundred meV in energy width persisting at the Fermi level, we succeeded in preparing materials possessing a large increase of thermal conductivity with increasing temperature. This unusual increase of thermal conductivity is caused by the electronic structure effect known as the bipolar diffusion effect (BDE) in the context of the two-band model. A thermal rectifier was constructed using materials exhibiting the BDE. By showing the thermal rectification of the bulk sample prepared in this study, we demonstrate that our newly proposed idea of a thermal rectifier using the BDE is applicable for practical use.

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

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.

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

Fabrication of the heterojunction diode from Y-doped ZnO thin films on p-Si substrates by sol-gel method

NASA Astrophysics Data System (ADS)

Sharma, Sanjeev K.; Singh, Satendra Pal; Kim, Deuk Young

2018-02-01

The heterojunction diode of yttrium-doped ZnO (YZO) thin films was fabricated on p-Si(100) substrates by sol-gel method. The post-annealing process was performed at 600 °C in vacuum for a short time (3 min) to prevent inter-diffusion of Zn, Y, and Si atoms. X-ray diffraction (XRD) pattern of as-grown and annealed (600 °C in vacuum) films showed the preferred orientation along the c-axis (002) regardless of dopant concentrations. The uniform surface microstructure and the absence of other metal/oxide peaks in XRD pattern confirmed the excellence of films. The increasing bandgap and carrier concentration of YZO thin films were interpreted by the BM shift, that is, the Fermi level moves towards the conduction band edge. The current-voltage characteristics of the heterojunction diode, In/n-ZnO/p-Si/Al, showed a rectification behavior. The turn-on voltage and ideality factor of n-ZnO/p-Si and n-YZO/p-Si were observed to be 3.47 V, 2.61 V, and 1.97, 1.89, respectively. Y-dopant in ZnO thin films provided more donor electrons caused the shifting of Fermi-energy level towards the conduction band and strengthen the interest for heterojunction diodes.

Five Years of the Fermi LAT Flare Advocate

NASA Astrophysics Data System (ADS)

Carpenter, Bryce; Ojha, R.; Gasparrini, D.; Ciprini, S.; Fermi LAT Collaboration; Fermi LAT Flare Advocates

2014-01-01

Since the launch of the Fermi satellite, the Fermi Large Area Telescope (LAT) team has run a program that provides a daily review of the the gamma-ray sky as soon as Fermi LAT data becomes available. The Flare Advocate/Gamma-ray Sky Watcher (FA-GSW) program allows a rapid analysis of the Automatic Science Processing (ASP) products and triggers dedicated followup analyses by several LAT science groups such as those studying Galactic transients, extragalactic sources and new gamma-ray sources. Significant gamma-ray detections also trigger rapid communications to the entire astrophysical community via astronomical telegrams and gamma-ray coordination network notices. The FA-GSW program plays a key role in maximizing the science return from Fermi by increasing the rate of multi-frequency observations of sources in an active gamma-ray state. In the past ~5 years blazar flaring activity of varying strength and duty cycles, gravitationally lensed blazars, flares from Galactic sources (like Nova Delphini and the Crab Nebula), unidentified transients near and off the Galactic plane, and emission from the quiet and flaring Sun, represent the range of detections made. Flare Advocates have published about 250 Astronomical Telegrams and they publish a weekly blog. Timely, extensive multi-frequency campaigns have been organized to follow-up on these phenomena leading to some of Fermi’s most interesting results.

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

Many body effects in a widely tunable Bose-Fermi mixture

NASA Astrophysics Data System (ADS)

Ahamdi, Peyman; Wu, Cheng-Hsun; Santiago, Ibon; Park, Jee Woo; Zwierlein, Martin

2011-05-01

A Bose-Einstein condensate immersed in the Fermi sea provides a rich platform for the study of many body effects such as polaron physics, boson-induced superfluidity and models of high-tc superconductivity. Few bosonic impurities in a Fermi sea form bosonic polarons, dressed quasi-particles that can condense, while few fermionic impurities in a Bose condensate might dress into heavy fermions with an immense increase of the effective mass. In an atom trap, both extremes of boson-fermion imbalance can in principle be realized in one and the same sample. Recently we have realized a Bose Einstein condensate of 41K immersed in a Fermi sea of 40K at T /TF = 0.3 and detected a wide Feshbach resonance between them. The mixture's lifetime is long enough so that bosonic polarons should form at an expected binding energy of about 0.6 TF. In this talk I will summarize our observations and the progress we have made to detect polaron physics in Bose-Fermi mixtures. This work was supported by the NSF, AFOSR-MURI, AFOSR-YIP, ARO-MURI, a grant from the Army Research Office with funding from the DARPA OLE program, the David and Lucille Packard Foundation and the Alfred P. Sloan Foundation.

Strong compensation hinders the p-type doping of ZnO: a glance over surface defect levels

NASA Astrophysics Data System (ADS)

Huang, B.

2016-07-01

We propose a surface doping model of ZnO to elucidate the p-type doping and compensations in ZnO nanomaterials. With an N-dopant, the effects of N on the ZnO surface demonstrate a relatively shallow acceptor level in the band gap. As the dimension of the ZnO materials decreases, the quantum confinement effects will increase and render the charge transfer on surface to influence the shifting of Fermi level, by evidence of transition level changes of the N-dopant. We report that this can overwhelm the intrinsic p-type conductivity and transport of the ZnO bulk system. This may provide a possible route of using surface doping to modify the electronic transport and conductivity of ZnO nanomaterials.

Terrestrial Gamma-Ray Flashes (TGFs) Observed with the Fermi-Gamma-Ray Burst Monitor: The First Hundred TGFs

NASA Technical Reports Server (NTRS)

Fishman, G J.; Briggs, M. S.; Connaughton, V.; Bhat, P. N.

2010-01-01

The Gamma-ray Burst Monitor (GBM) on the Fermi Gamma-ray Space Telescope Observatory (Fermi) is now detecting 2.1 TGFs per week. At this rate, nearly a hundred TGFs will have been detected by the time of this Meeting. This rate has increased by a factor of 8 since new flight software was uploaded to the spacecraft in November 2009 in order to increase the sensitivity of GBM to TGFs. The high time resolution (2 microseconds) allows temporal features to be resolved so that some insight may be gained on the origin and transport of the gamma-ray photons through the atmosphere. The absolute time of the TGFs, known to several microseconds, also allows accurate correlations of TGFs with lightning networks and other lightning-related phenomena. The thick bismuth germanate (BGO) scintillation detectors of the GBM system have observed photon energies from TGFs at energies above 40 MeV. New results on the some temporal aspects of TGFs will be presented.

Fermi LAT detection of an increase in gamma-ray activity of the FSRQ S5 1044+71

NASA Astrophysics Data System (ADS)

Ojha, Roopesh; Carpen, Bryce

2017-01-01

The Large Area Telescope (LAT), on board the Fermi Gamma-ray Space Telescope, has observed gamma-ray flaring activity from a source positionally consistent with the flat spectrum radio quasar S5 1044+71 (also known as 3FGL J1048.4+7144, Acero et al. 2015, ApJS 218, 23) with radio coordinates R.A: 10h48m27.6199s, Dec: +71d43m35.938s (J2000; Johnston et al. 1995, AJ, 110, 880) and redshift z=1.15 (Polatidis et al. 1995, ApJS, 98, 1). Preliminary results indicate that S5 1044+71 showed a marked increase in activity on 2016 December 29, with a daily flux (E > 100 MeV) of (1.1+/-0.2) x10^-6 ph cm^-2 s^-1 (errors are statistical only) which is a factor of about 16 greater than the average flux reported in the third Fermi LAT catalog (3FGL).

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.

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

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

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.

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.

Increase in the Shockley–Read–Hall recombination rate in InGaN/GaN QWs as the main mechanism of the efficiency droop in LEDs at high injection levels

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

Bochkareva, N. I.; Rebane, Yu. T.; Shreter, Yu. G., E-mail: y.shreter@mail.ioffe.ru

It is shown that the efficiency droop observed as the current through a GaN-based light-emitting diode increases is due to a decrease in the Shockley–Read–Hall nonradiative lifetime. The lifetime decreases with increasing current because a steadily growing number of traps in the density-of-states tails of InGaN/GaN quantum wells become nonradiative recombination centers upon the approach of quasi-Fermi levels to the band edges. This follows from the correlation between the efficiency droop and the appearance of negative differential capacitance, observed in the study. The correlation appears due to slow trap recharging via the trap-assisted tunneling of electrons through the n-type barriermore » of the quantum well and to the inductive nature of the diode-current variation with forward bias.« less

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

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.

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.

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.

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.

Quantitative assessment of myocardial blood flow in coronary artery disease by cardiovascular magnetic resonance: comparison of Fermi and distributed parameter modeling against invasive methods.

PubMed

Papanastasiou, Giorgos; Williams, Michelle C; Dweck, Marc R; Alam, Shirjel; Cooper, Annette; Mirsadraee, Saeed; Newby, David E; Semple, Scott I

2016-09-13

Mathematical modeling of perfusion cardiovascular magnetic resonance (CMR) data allows absolute quantification of myocardial blood flow and can potentially improve the diagnosis and prognostication of obstructive coronary artery disease (CAD), against the current clinical standard of visual assessments. This study compares the diagnostic performance of distributed parameter modeling (DP) against the standard Fermi model, for the detection of obstructive CAD, in per vessel against per patient analysis. A pilot cohort of 28 subjects (24 included in the final analysis) with known or suspected CAD underwent adenosine stress-rest perfusion CMR at 3T. Data were analysed using Fermi and DP modeling against invasive coronary angiography and fractional flow reserve, acquired in all subjects. Obstructive CAD was defined as luminal stenosis of ≥70 % alone, or luminal stenosis ≥50 % and fractional flow reserve ≤0.80. On ROC analysis, DP modeling outperformed the standard Fermi model, in per vessel and per patient analysis. In per patient analysis, DP modeling-derived myocardial blood flow at stress demonstrated the highest sensitivity and specificity (0.96, 0.92) in detecting obstructive CAD, against Fermi modeling (0.78, 0.88) and visual assessments (0.79, 0.88), respectively. DP modeling demonstrated consistently increased diagnostic performance against Fermi modeling and showed that it may have merit for stratifying patients with at least one vessel with obstructive CAD. Clinicaltrials.gov NCT01368237 Registered 6 of June 2011. URL: https://clinicaltrials.gov/ct2/show/NCT01368237.

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.

Cyclotron Orbits of Composite Fermions in the Fractional Quantum Hall Regime

NASA Astrophysics Data System (ADS)

Jo, Insun; Deng, Hao; Liu, Yang; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.; Shayegan, M.

2018-01-01

We study a bilayer GaAs hole system that hosts two distinct many-body phases at low temperatures and high perpendicular magnetic fields. The higher-density (top) layer develops a Fermi sea of composite fermions (CFs) in its half-filled lowest Landau level, while the lower-density (bottom) layer forms a Wigner crystal (WC) as its filling becomes very small. Owing to the interlayer interaction, the CFs in the top layer feel the periodic Coulomb potential of the WC in the bottom layer. We measure the magnetoresistance of the top layer while changing the bottom-layer density. As the WC layer density increases, the resistance peaks separating the adjacent fractional quantum Hall states in the top layer change nonmonotonically and attain maximum values when the cyclotron orbit of the CFs encloses one WC lattice point. These features disappear at T =275 mK when the WC melts. The observation of such geometric resonance features is unprecedented and surprising as it implies that the CFs retain a well-defined cyclotron orbit and Fermi wave vector even deep in the fractional quantum Hall regime, far from half-filling.

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.

Fermi LAT detection of enhanced gamma-ray emission from the Crab Nebula region

NASA Astrophysics Data System (ADS)

Ojha, Roopesh; Buehler, Rolf; Hays, Elizabeth; Dutka, Michael

2012-07-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed a significant increase in the gamma-ray activity from a source positionally consistent with the Crab Nebula on July 3, 2012. Preliminary LAT analysis indicates that the daily-averaged gamma-ray emission (E >100 MeV) from the direction of the Crab doubled from (2.4 +/- 0.5) x 10^-6 ph/cm2/sec (statistical errors only) on July 2nd to (5.5 +/- 0.7) x 10^-6 ph/cm2/sec on July 3rd, a factor of 2 greater than the average flux of (2.75 +/- 0.10) x 10^-6 ph/cm2/sec reported in the second Fermi LAT catalog (2FGL, Nolan et al.

Electron acceleration in a secondary magnetic island formed during magnetic reconnection with a guide field

NASA Astrophysics Data System (ADS)

Wang, Huanyu; Lu, Quanming; Huang, Can; Wang, Shui

2017-05-01

Secondary magnetic islands may be generated in the vicinity of an X line during magnetic reconnection. In this paper, by performing two-dimensional (2-D) particle-in-cell simulations, we investigate the role of a secondary magnetic island in electron acceleration during magnetic reconnection with a guide field. The electron motions are found to be adiabatic, and we analyze the contributions of the parallel electric field and Fermi and betatron mechanisms to electron acceleration in the secondary island during the evolution of magnetic reconnection. When the secondary island is formed, electrons are accelerated by the parallel electric field due to the existence of the reconnection electric field in the electron current sheet. Electrons can be accelerated by both the parallel electric field and Fermi mechanism when the secondary island begins to merge with the primary magnetic island, which is formed simultaneously with the appearance of X lines. With the increase in the guide field, the contributions of the Fermi mechanism to electron acceleration become less and less important. When the guide field is sufficiently large, the contribution of the Fermi mechanism is almost negligible.

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

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.

Fermi surface in the absence of a Fermi liquid in the Kondo insulator SmB6

NASA Astrophysics Data System (ADS)

Hartstein, M.; Toews, W. H.; Hsu, Y.-T.; Zeng, B.; Chen, X.; Hatnean, M. Ciomaga; Zhang, Q. R.; Nakamura, S.; Padgett, A. S.; Rodway-Gant, G.; Berk, J.; Kingston, M. K.; Zhang, G. H.; Chan, M. K.; Yamashita, S.; Sakakibara, T.; Takano, Y.; Park, J.-H.; Balicas, L.; Harrison, N.; Shitsevalova, N.; Balakrishnan, G.; Lonzarich, G. G.; Hill, R. W.; Sutherland, M.; Sebastian, Suchitra E.

2018-02-01

The search for a Fermi surface in the absence of a conventional Fermi liquid has thus far yielded very few potential candidates. Among promising materials are spin-frustrated Mott insulators near the insulator-metal transition, where theory predicts a Fermi surface associated with neutral low-energy excitations. Here we reveal another route to experimentally realize a Fermi surface in the absence of a Fermi liquid by the experimental study of a Kondo insulator SmB6 positioned close to the insulator-metal transition. We present experimental signatures down to low temperatures (<<1 K) associated with a Fermi surface in the bulk, including a sizeable linear specific heat coefficient, and on the application of a finite magnetic field, bulk magnetic quantum oscillations, finite quantum oscillatory entropy, and substantial enhancement in thermal conductivity well below the charge gap energy scale. Thus, the weight of evidence indicates that despite an extreme instance of Fermi liquid breakdown in Kondo insulating SmB6, a Fermi surface arises from novel itinerant low-energy excitations that couple to magnetic fields, but not weak DC electric fields.

The effect of exchange interaction on quasiparticle Landau levels in narrow-gap quantum well heterostructures.

PubMed

Krishtopenko, S S; Gavrilenko, V I; Goiran, M

2012-04-04

Using the 'screened' Hartree-Fock approximation based on the eight-band k·p Hamiltonian, we have extended our previous work (Krishtopenko et al 2011 J. Phys.: Condens. Matter 23 385601) on exchange enhancement of the g-factor in narrow-gap quantum well heterostructures by calculating the exchange renormalization of quasiparticle energies, the density of states at the Fermi level and the quasiparticle g-factor for different Landau levels overlapping. We demonstrate that exchange interaction yields more pronounced Zeeman splitting of the density of states at the Fermi level and leads to the appearance of peak-shaped features in the dependence of the Landau level energies on the magnetic field at integer filling factors. We also find that the quasiparticle g-factor does not reach the maximum value at odd filling factors in the presence of large overlapping of spin-split Landau levels. We advance an argument that the behavior of the quasiparticle g-factor in weak magnetic fields is defined by a random potential of impurities in narrow-gap heterostructures. © 2012 IOP Publishing Ltd

Xenon-plasma-light low-energy ultrahigh-resolution photoemission study of Co(S1-xSex)2 (x=0.075)

NASA Astrophysics Data System (ADS)

Sato, Takafumi; Souma, Seigo; Sugawara, Katsuaki; Nakayama, Kosuke; Raj, Satyabrata; Hiraka, Haruhiro; Takahashi, Takashi

2007-09-01

We have performed low-energy ultrahigh-resolution photoemission spectroscopy on Co(S1-xSex)2 (x=0.075) to elucidate the bulk electronic states responsible for the ferromagnetic transition. By using a newly developed plasma-driven low-energy xenon (Xe) discharge lamp (hν=8.436eV) , we clearly observed a sharp quasiparticle peak at the Fermi level together with the remarkable temperature dependence of the electron density of states across the transition temperature. Comparison with the experimental result by the HeIα resonance line (hν=21.218eV) indicates that the sharp quasiparticle is of bulk origin and is produced by the Fermi-level crossing of the Co 3d eg↓ subband.

Interface Superconductivity in Cuprates Defies Fermi-Liquid Description

DOE PAGES

Radović, Zoran; Vanević, Mihajlo; Wu, Jie; ...

2016-07-26

La 2-xSr xCuO 4/La 2CuO 4 bilayers show interface superconductivity that originates from accumulation and depletion of mobile charge carriers across the interface. Surprisingly, the doping level can be varied broadly (within the interval 0.15 < x < 0.47) without affecting the transition temperature, which stays essentially constant and equal to that in optimally doped material, T c ≈ 40 K. Here we argue that this finding implies that doping up to the optimum level does not shift the chemical potential, unlike in ordinary Fermi liquids. Lastly, we discuss possible physical scenarios that can give doping-independent chemical potential in themore » pseudogap regime: electronic phase separation, formation of charge-density waves, strong Coulomb interactions, or self-trapping of mobile charge carriers.« less

Scanning-tunneling-microscopy-active empty states on the (benzene + CO)/Rh(111) surface investigated by inverse photoemission

NASA Astrophysics Data System (ADS)

Netzer, Falko P.; Frank, Karl-Heinz

1989-09-01

The unoccupied electronic states of the benzene + CO coadsorption system on Rh(111) have been investigated by inverse photoemission spectroscopy. The benzene and CO derived lowest unoccupied molecular orbitals (e2u and b2g for benzene and 2π* for CO) have been identified in the region 2.3-6.5 eV above the Fermi level. For the ordered (3×3) benzene + CO surface indications of enhanced density of states (DOS) within 0.5 eV of the Fermi level are found. This enhancement of the DOS may be associated with hybridized metal-benzene states, which have been invoked to be involved in the imaging process of the molecular entities in a recent scanning-tunneling-microscopy investigation of this system.

Structural and electronic properties of LaPd2As2 superconductor: First-principle calculations

NASA Astrophysics Data System (ADS)

Singh, Birender; Kumar, Pradeep

2017-05-01

In present work we have studied electronic and structural properties of superconducting LaPd2As2 compound having collapsed tetragonal structure using first-principle calculations. The band structure calculations show that the LaPd2As2 is metallic consistent with the reported experimental observation, and the density of states plots clearly shows that at the Fermi level major contribution to density of states arises from Pd 4d and As 4p states, unlike the Fe-based superconductors where major contribution at the Fermi level comes from Fe 3d states. The estimated value of electron-phonon coupling is found to be 0.37, which gives the upper bound of superconducting transition temperature of 5K, suggesting the conventional nature of this superconductor.

Co-doping of CVD diamond with boron and sulfur

NASA Astrophysics Data System (ADS)

Eaton, Sally Catherine

Boron is well-established as a p-type dopant in diamond, but attempts to find a viable n-type dopant remain unsuccessful. In 1999, sulfur was reported to give n-type conductivity. However, later measurements indicated that the samples contained boron and were p-type. Recently, we showed that diamond co-doped with sulfur and small quantities of boron shows n-type conductivity, which was established by Mott-Schottky analyses, thermoelectric effect, Hall measurements, scanning tunneling spectroscopy (STS), and UV open-circuit photo-potential. At higher boron concentrations, a transition to p-type behavior is observed due to overcompensation. Experiments performed without boron in the feed gas or without residual boron in the reactor chamber showed no sulfur incorporation and no change in conductivity. There is evidence that the excess sulfur concentration in the near-surface region is not stable. At room temperature and below, the activation energies range from 0.06 to 0.12 eV. Above 400K there is an irreversible loss in conductivity and the activation energy increases to approximately 1.3 eV. Additionally, we observed by SIMS that there exists a concentration gradient in sulfur with film depth. This sulfur concentration gradient is also observed in our electrical measurements. STS shows a decrease in conductivity with film depth and Hall effect measurements show both p-type and n-type coefficients for samples which are n-type in the near-surface region. The flat-band potential obtained from the Mott-Schottky experiments is only 1 to 1.5 V more negative on the electrochemical scale than that for boron-doped diamond. This implies that the Fermi level is only 1 to 1.5 eV higher than the Fermi level in boron-doped diamond. This observation implies that the n-type conductivity is not by excitation of electrons to the conduction band, but by an alternate mechanism that occurs in the middle of the band gap. One such possibility is an acceptor impurity band. Electrons from individual donor states can be excited into this acceptor band where they are free to move. This mechanism would create n-type conductivity even if the Fermi level was low in the bandgap.

Fermi LAT detection of increase gamma-ray emission from OJ 248

NASA Astrophysics Data System (ADS)

Orienti, M.; D'Ammando, F.

2012-09-01

The Large Area Telescope (LAT), on board the Fermi Gamma-ray Space Telescope, has observed gamma-ray flaring activity from a source positionally consistent with the flat spectrum radio quasar OJ 248 (also known as 2FGL J0830.5+2407, Nolan et al. 2012, ApJS, 199, 31) with radio coordinates R.A.: 127.7170254 deg, Dec: 24.1832836 deg (J2000, Johnston et al. 1995, AJ, 110, 880) at redshift z=0.94 (Hewitt & Burbidge 1993, ApJS, 87, 451).

Fermi LAT detection of an increase of gamma-ray activity of S5 1044+71

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Orienti, M.

2014-01-01

The Large Area Telescope (LAT), on board the Fermi Gamma-ray Space Telescope, has observed gamma-ray flaring activity 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) with radio coordinates R.A.: 162.1150829 deg, Dec: 71.7266494 deg (J2000; Johnston et al. 1995, AJ, 110, 880) at redshift z=1.15 (Polatidis et al.

Fermi LAT detection of a continuing increase of gamma-ray activity of CTA 102

NASA Astrophysics Data System (ADS)

Orienti, M.; D'Ammando, F.

2012-09-01

The Large Area Telescope (LAT), on board the Fermi Gamma-ray Space Telescope, has observed gamma-ray flaring activity from a source positionally consistent with the flat spectrum radio quasar CTA 102 (also known as 2FGL J2232.4+1143, Nolan et al. 2012, ApJS, 199, 31) with radio coordinates R.A.: 338.1517038 deg, Dec: 11.7308067 deg (J2000, Johnston et al. 1995, AJ, 110, 880) at redshift z=1.037 (Schmidt 1965, ApJ, 141, 1295).

Engineering the work function of buckled boron α-sheet by lithium adsorption: a first-principles investigation.

PubMed

Zheng, Bing; Yu, Hai-tao; Xie, Ying; Lian, Yong-fu

2014-11-26

First-principles density functional theory calculations were performed to study the effect of Li adsorption on the structural and electronic properties, particularly the work function, of boron α-sheet. The calculated binding energies indicated that boron α-sheet could be well stabilized by the adsorption of Li atoms. Furthermore, the work functions of Li-adsorbed boron α-sheets were observed to decrease drastically with increasing Li coverage. The work functions are lower than that of Mg and even, for some of them, lower than that of Ca, indicating a considerable potential application of Li-adsorbed boron α-sheets as field-emission and electrode materials. Based on the calculated geometric and electronic structures, we discuss in details some possible aspects affecting the work function. The Li coverage dependence of the work functions of Li-adsorbed boron α-sheets was further confirmed by electrostatic potential analyses. The relationship between the work function variation and the Fermi and vacuum energy level shifts was also discussed, and we observed that the variation of the work function is primarily associated with the shift of the Fermi energy level. It is the surface dipole formed by the interaction between adatoms and substrate that should be responsible for the observed variation of the work function, whereas the increasing negative charge and rumpling for boron α-sheet only play minor roles. Additionally, the effect of Li adatoms on the work function of boron α-sheet was confirmed to be much stronger than that of graphene or a graphene double layer.

Superconductivity in Al-substituted Ba8Si46 clathrates

NASA Astrophysics Data System (ADS)

Li, Yang; Garcia, Jose; Chen, Ning; Liu, Lihua; Li, Feng; Wei, Yuping; Bi, Shanli; Cao, Guohui; Feng, Z. S.

2013-05-01

There is a great deal of interest vested in the superconductivity of Si clathrate compounds with sp3 network, in which the structure is dominated by strong covalent bonds among silicon atoms, rather than the metallic bonding that is more typical of traditional superconductors. A joint experimental and theoretical investigation of superconductivity in Al-substituted type-I silicon clathrates is reported. Samples of the general formula Ba8Si46-xAlx, with different values of x were prepared. With an increase in the Al composition, the superconducting transition temperature TC was observed to decrease systematically. The resistivity measurement revealed that Ba8Si42Al4 is superconductive with transition temperature at TC = 5.5 K. The magnetic measurements showed that the bulk superconducting Ba8Si42Al4 is a type II superconductor. For x = 6 sample Ba8Si40Al6, the superconducting transition was observed down to TC = 4.7 K which pointed to a strong suppression of superconductivity with increasing Al content as compared with TC = 8 K for Ba8Si46. Suppression of superconductivity can be attributed primarily to a decrease in the density of states at the Fermi level, caused by reduced integrity of the sp3 hybridized networks as well as the lowering of carrier concentration. These results corroborated by first-principles calculations showed that Al substitution results in a large decrease of the electronic density of states at the Fermi level, which also explains the decreased superconducting critical temperature within the BCS framework. The work provided a comprehensive understanding of the doping effect on superconductivity of clathrates.

Fermi LAT detection of renewed and strong GeV gamma-ray flares from blazars PKS 0903-57 and PKS 0346-27

NASA Astrophysics Data System (ADS)

Ciprini, Stefano

2018-05-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed high-level gamma-ray activity from sources positionally consistent with the active galaxy PKS 0903-57 (also known as MRC 0903-573 and 3FGL J0904.8-5734, Acero et al. 2015, ApJS, 218, 23) and with the flat spectrum radio quasar PKS 0346-27 (also known as OE -278, TXS 0346-279, MRC 0346-279 and 3FGL J0348.6-2748).

Free electron laser-driven ultrafast rearrangement of the electronic structure in Ti

PubMed Central

Principi, E.; Giangrisostomi, E.; Cucini, R.; Bencivenga, F.; Battistoni, A.; Gessini, A.; Mincigrucci, R.; Saito, M.; Di Fonzo, S.; D'Amico, F.; Di Cicco, A.; Gunnella, R.; Filipponi, A.; Giglia, A.; Nannarone, S.; Masciovecchio, C.

2015-01-01

High-energy density extreme ultraviolet radiation delivered by the FERMI seeded free-electron laser has been used to create an exotic nonequilibrium state of matter in a titanium sample characterized by a highly excited electron subsystem at temperatures in excess of 10 eV and a cold solid-density ion lattice. The obtained transient state has been investigated through ultrafast absorption spectroscopy across the Ti M2,3-edge revealing a drastic rearrangement of the sample electronic structure around the Fermi level occurring on a time scale of about 100 fs. PMID:26798835

A unified physical model of Seebeck coefficient in amorphous oxide semiconductor thin-film transistors

NASA Astrophysics Data System (ADS)

Lu, Nianduan; Li, Ling; Sun, Pengxiao; Banerjee, Writam; Liu, Ming

2014-09-01

A unified physical model for Seebeck coefficient was presented based on the multiple-trapping and release theory for amorphous oxide semiconductor thin-film transistors. According to the proposed model, the Seebeck coefficient is attributed to the Fermi-Dirac statistics combined with the energy dependent trap density of states and the gate-voltage dependence of the quasi-Fermi level. The simulation results show that the gate voltage, energy disorder, and temperature dependent Seebeck coefficient can be well described. The calculation also shows a good agreement with the experimental data in amorphous In-Ga-Zn-O thin-film transistor.

Detection of high-energy gamma-ray emission from the globular cluster 47 Tucanae with Fermi.

PubMed

Abdo, A A; Ackermann, M; Ajello, M; Atwood, W B; Axelsson, M; Baldini, L; Ballet, J; Barbiellini, G; Bastieri, D; Baughman, B M; Bechtol, K; Bellazzini, R; Berenji, B; Blandford, R D; Bloom, E D; 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; Casandjian, J M; Cecchi, C; Celik, O; Charles, E; Chaty, S; Chekhtman, A; Cheung, C C; Chiang, J; Ciprini, S; Claus, R; Cohen-Tanugi, J; Conrad, J; Cutini, S; Dermer, C D; de Palma, F; Digel, S W; Dormody, M; do Couto e Silva, E; Drell, P S; Dubois, R; Dumora, D; Farnier, C; Favuzzi, C; Fegan, S J; Focke, W B; Frailis, M; Fukazawa, Y; Fusco, P; Gargano, F; Gasparrini, D; Gehrels, N; Germani, S; Giebels, B; Giglietto, N; Giordano, F; Glanzman, T; Godfrey, G; Grenier, I A; Grove, J E; Guillemot, L; Guiriec, S; Hanabata, Y; Harding, A K; Hayashida, M; Hays, E; Horan, D; Hughes, R E; Jóhannesson, G; Johnson, A S; Johnson, R P; Johnson, T J; Johnson, W N; Kamae, T; Katagiri, H; Kawai, N; Kerr, M; Knödlseder, J; Kuehn, F; Kuss, M; Lande, J; Latronico, L; Lemoine-Goumard, M; Longo, F; Loparco, F; Lott, B; Lovellette, M N; Lubrano, P; Makeev, A; 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; Morselli, A; Moskalenko, I V; Murgia, S; Nolan, P L; Norris, J P; Nuss, E; Ohsugi, T; Omodei, N; Orlando, E; Ormes, J F; Paneque, D; Panetta, J H; Parent, D; Pelassa, V; Pepe, M; Pierbattista, M; Piron, F; Porter, T A; Rainò, S; Rando, R; Razzano, M; Rea, N; 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; Sgrò, C; Smith, D A; Smith, P D; Spandre, G; Spinelli, P; Starck, J-L; Strickman, M S; Suson, D J; Tajima, H; Takahashi, H; Tanaka, T; Thayer, J B; Thayer, J G; Thompson, D J; Tibaldo, L; Torres, D F; Tosti, G; Tramacere, A; Uchiyama, Y; Usher, T L; Vasileiou, V; Vilchez, N; Vitale, V; Wang, P; Webb, N; Winer, B L; Wood, K S; Ylinen, T; Ziegler, M

2009-08-14

We report the detection of gamma-ray emissions above 200 megaelectron volts at a significance level of 17sigma from the globular cluster 47 Tucanae, using data obtained with the Large Area Telescope onboard the Fermi Gamma-ray Space Telescope. Globular clusters are expected to emit gamma rays because of the large populations of millisecond pulsars that they contain. The spectral shape of 47 Tucanae is consistent with gamma-ray emission from a population of millisecond pulsars. The observed gamma-ray luminosity implies an upper limit of 60 millisecond pulsars present in 47 Tucanae.

Observation of Dirac-like band dispersion in LaAgSb 2

DOE PAGES

Shi, X.; Richard, P.; Wang, Kefeng; ...

2016-02-16

In this paper, we present a combined angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations study of the electronic structure of LaAgSb 2 in the entire first Brillouin zone. We observe a Dirac-cone-like structure in the vicinity of the Fermi level formed by the crossing of two linear energy bands, as well as the nested segments of a Fermi surface pocket emerging from the cone. In conclusion, our ARPES results show the close relationship of the Dirac cone to the charge-density-wave ordering, providing consistent explanations for exotic behaviors in this material.

Evidence for a small hole pocket in the Fermi surface of underdoped YBa2Cu3Oy

PubMed Central

Doiron-Leyraud, N.; Badoux, S.; René de Cotret, S.; Lepault, S.; LeBoeuf, D.; Laliberté, F.; Hassinger, E.; Ramshaw, B. J.; Bonn, D. A.; Hardy, W. N.; Liang, R.; Park, J.-H..; Vignolles, D.; Vignolle, B.; Taillefer, L.; Proust, C.

2015-01-01

In underdoped cuprate superconductors, the Fermi surface undergoes a reconstruction that produces a small electron pocket, but whether there is another, as yet, undetected portion to the Fermi surface is unknown. Establishing the complete topology of the Fermi surface is key to identifying the mechanism responsible for its reconstruction. Here we report evidence for a second Fermi pocket in underdoped YBa2Cu3Oy, detected as a small quantum oscillation frequency in the thermoelectric response and in the c-axis resistance. The field-angle dependence of the frequency shows that it is a distinct Fermi surface, and the normal-state thermopower requires it to be a hole pocket. A Fermi surface consisting of one electron pocket and two hole pockets with the measured areas and masses is consistent with a Fermi-surface reconstruction by the charge–density–wave order observed in YBa2Cu3Oy, provided other parts of the reconstructed Fermi surface are removed by a separate mechanism, possibly the pseudogap. PMID:25616011

Two-dimensional Dirac fermions in thin films of C d3A s2

NASA Astrophysics Data System (ADS)

Galletti, Luca; Schumann, Timo; Shoron, Omor F.; Goyal, Manik; Kealhofer, David A.; Kim, Honggyu; Stemmer, Susanne

2018-03-01

Two-dimensional states in confined thin films of the three-dimensional Dirac semimetal C d3A s2 are probed by transport and capacitance measurements under applied magnetic and electric fields. The results establish the two-dimensional Dirac electronic spectrum of these states. We observe signatures of p -type conduction in the two-dimensional states as the Fermi level is tuned across their charge neutrality point and the presence of a zero-energy Landau level, all of which indicate topologically nontrivial states. The resistance at the charge neutrality point is approximately h /e2 and increases rapidly under the application of a magnetic field. The results open many possibilities for gate-tunable topological devices and for the exploration of novel physics in the zero-energy Landau level.

Quantum Space Charge Waves in a Waveguide Filled with Fermi-Dirac Plasmas Including Relativistic Wake Field and Quantum Statistical Pressure Effects

NASA Astrophysics Data System (ADS)

Hong, Woo-Pyo; Jung, Young-Dae

2018-03-01

The effects of quantum statistical degeneracy pressure on the propagation of the quantum space charge wave are investigated in a cylindrically bounded plasma waveguide filled with relativistically degenerate quantum Fermi-Dirac plasmas and the relativistic ion wake field. The results show that the domain of the degenerate parameter for the resonant beam instability significantly increases with an increase of the scaled beam velocity. It is found that the instability domain of the wave number increases with an increase of the degenerate parameter. It is also found that the growth rate for the resonant beam instability decreases with an increase of the degenerate parameter. In addition, it is shown that the lowest harmonic mode provides the maximum value of the growth rates. Moreover, it is shown that the instability domain of the wave number decreases with an increase of the beam velocity.

--No Title--

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Fermi surface in the absence of a Fermi liquid in the Kondo insulator SmB 6

DOE PAGES

Hartstein, M.; Toews, W. H.; Hsu, Y. -T.; ...

2017-10-23

The search for a Fermi surface in the absence of a conventional Fermi liquid has thus far yielded very few potential candidates. Among promising materials are spin-frustrated Mott insulators near the insulator–metal transition, where theory predicts a Fermi surface associated with neutral low-energy excitations. In this paper, we reveal another route to experimentally realize a Fermi surface in the absence of a Fermi liquid by the experimental study of a Kondo insulator SmB 6 positioned close to the insulator–metal transition. We present experimental signatures down to low temperatures (<<1 K) associated with a Fermi surface in the bulk, including amore » sizeable linear specific heat coefficient, and on the application of a finite magnetic field, bulk magnetic quantum oscillations, finite quantum oscillatory entropy, and substantial enhancement in thermal conductivity well below the charge gap energy scale. Finally, the weight of evidence indicates that despite an extreme instance of Fermi liquid breakdown in Kondo insulating SmB 6, a Fermi surface arises from novel itinerant low-energy excitations that couple to magnetic fields, but not weak DC electric fields.« less

COSMIC-RAY POSITRONS FROM MILLISECOND PULSARS

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

Venter, C.; Kopp, A.; Büsching, I.

2015-07-10

Observations by the Fermi Large Area Telescope of γ-ray millisecond pulsar (MSP) light curves imply copious pair production in their magnetospheres, and not exclusively in those of younger pulsars. Such pair cascades may be a primary source of Galactic electrons and positrons, contributing to the observed enhancement in positron flux above ∼10 GeV. Fermi has also uncovered many new MSPs, impacting Galactic stellar population models. We investigate the contribution of Galactic MSPs to the flux of terrestrial cosmic-ray electrons and positrons. Our population synthesis code predicts the source properties of present-day MSPs. We simulate their pair spectra invoking an offset-dipolemore » magnetic field. We also consider positrons and electrons that have been further accelerated to energies of several TeV by strong intrabinary shocks in black widow (BW) and redback (RB) systems. Since MSPs are not surrounded by pulsar wind nebulae or supernova shells, we assume that the pairs freely escape and undergo losses only in the intergalactic medium. We compute the transported pair spectra at Earth, following their diffusion and energy loss through the Galaxy. The predicted particle flux increases for non-zero offsets of the magnetic polar caps. Pair cascades from the magnetospheres of MSPs are only modest contributors around a few tens of GeV to the lepton fluxes measured by the Alpha Magnetic Spectrometer, PAMELA, and Fermi, after which this component cuts off. The contribution by BWs and RBs may, however, reach levels of a few tens of percent at tens of TeV, depending on model parameters.« less

The role of seniority-zero states in nuclear level densities

DOE PAGES

Åberg, S.; Carlsson, B. G.; Døssing, Th.; ...

2015-06-01

At low excitation energies seniority-zero states dominate the level density of K=0 bands in deformed even–even nuclei, while they play no role at higher excitation energies. We describe the level densities in a Fermi-gas model as well as in a combinatorial level-density model and compare to detailed experimental data for some rare-earth nuclei.

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)

Evidence of a 2D Fermi surface due to surface states in a p-type metallic Bi2Te3

NASA Astrophysics Data System (ADS)

Shrestha, K.; Marinova, V.; Lorenz, B.; Chu, C. W.

2018-05-01

We present a systematic quantum oscillations study on a metallic, p-type Bi2Te3 topological single crystal in magnetic fields up to B  =  7 T. The maxima/minima positions of oscillations measured at different tilt angles align to one another when plotted as a function of the normal component of magnetic field, confirming the presence of the 2D Fermi surface. Additionally, the Berry phase, β  =  0.4  ±  0.05 obtained from the Landau level fan plot, is very close to the theoretical value of 0.5 for the Dirac particles, confirming the presence of topological surface states in the Bi2Te3 single crystal. Using the Lifshitz–Kosevich analyses, the Fermi energy is estimated to be meV, which is lower than that of other bismuth-based topological systems. The detection of surface states in the Bi2Te3 crystal can be explained by our previous hypothesis of the lower position of the Fermi surface that cuts the ‘M’-shaped valence band maxima. As a result, the bulk state frequency is shifted to higher magnetic fields, which allows measurement of the surface states signal at low magnetic fields.

Effects of impurity and Bose-Fermi interactions on the transition temperature of a dilute dipolar Bose-Einstein condensation in trapped Bose-Fermi mixtures

NASA Astrophysics Data System (ADS)

Yavari, H.; Mokhtari, M.

2014-03-01

The effects of impurity and Bose-Fermi interactions on the transition temperature of a dipolar Bose-Einstein condensation in trapped Bose-Fermi mixture, by using the two-fluid model, are investigated. The shift of the transition temperature consists of four contributions due to contact, Bose-Fermi, dipole-dipole, and impurity interactions. We will show that in the presence of an anisotropic trap, the Bose-Fermi correction to the shift of transition temperature due to the excitation spectra of the thermal part is independent of anisotropy factor. Applying our results to trapped Bose-Fermi mixtures shows that, by knowing the impurity effect, the shift of the transition temperature due to Bose-Fermi interaction could be measured for isotropic trap (dipole-dipole contributions is zero) and Feshbach resonance technique (contact potential contribution is negligible).

Influence of the ordering of impurities on the appearance of an energy gap and on the electrical conductance of graphene.

PubMed

Repetsky, S P; Vyshyvana, I G; Kruchinin, S P; Bellucci, Stefano

2018-06-14

In the one-band model of strong coupling, the influence of substitutional impurity atoms on the energy spectrum and electrical conductance of graphene is studied. It is established that the ordering of substitutional impurity atoms on nodes of the crystal lattice causes the appearance of a gap in the energy spectrum of graphene with width η|δ| centered at the point yδ, where η is the parameter of ordering, δ is the difference of the scattering potentials of impurity atoms and carbon atoms, and y is the impurity concentration. The maximum value of the parameter of ordering is [Formula: see text]. For the complete ordering of impurity atoms, the energy gap width equals [Formula: see text]. If the Fermi level falls in the region of the mentioned gap, then the electrical conductance [Formula: see text] at the ordering of graphene, i.e., the metal-dielectric transition arises. If the Fermi level is located outside the gap, then the electrical conductance increases with the parameter of order η by the relation [Formula: see text]. At the concentration [Formula: see text], as the ordering of impurity atoms η →1, the electrical conductance of graphene [Formula: see text], i.e., the transition of graphene in the state of ideal electrical conductance arises.

Density-functional studies of tungsten trioxide, tungsten bronzes, and related systems

NASA Astrophysics Data System (ADS)

Ingham, B.; Hendy, S. C.; Chong, S. V.; Tallon, J. L.

2005-08-01

Tungsten trioxide adopts a variety of structures which can be intercalated with charged species to alter the electronic properties, thus forming “tungsten bronzes.” Similar effects are observed upon removing oxygen from WO3 . We present a computational study of cubic and hexagonal alkali bronzes and examine the effects on cell size and band structure as the size of the intercalated ion is increased. With the exception of hydrogen (which is predicted to be unstable as an intercalate), the behavior of the bronzes are relatively consistent. NaWO3 is the most stable of the cubic systems, although in the hexagonal system the larger ions are more stable. The band structures are identical, with the intercalated atom donating its single electron to the tungsten 5d valence band. A study of fractional doping in the NaxWO3 system (0⩽x⩽1) showed a linear variation in cell parameter and a systematic shift in the Fermi level into the conduction band. In the oxygen-deficient WO3-x system the Fermi level undergoes a sudden jump into the conduction band at around x=0.2 . Lastly, three compounds of a layered WO4•α,ω -diaminoalkane hybrid series were studied and found to be insulating, with features in the band structure similar to those of the parent WO3 compound that relate well to experimental UV-visible spectroscopy results.

GaN as an interfacial passivation layer: tuning band offset and removing fermi level pinning for III-V MOS devices.

PubMed

Zhang, Zhaofu; Cao, Ruyue; Wang, Changhong; Li, Hao-Bo; Dong, Hong; Wang, Wei-Hua; Lu, Feng; Cheng, Yahui; Xie, Xinjian; Liu, Hui; Cho, Kyeongjae; Wallace, Robert; Wang, Weichao

2015-03-11

The use of an interfacial passivation layer is one important strategy for achieving a high quality interface between high-k and III-V materials integrated into high-mobility metal-oxide-semiconductor field-effect transistor (MOSFET) devices. Here, we propose gallium nitride (GaN) as the interfacial layer between III-V materials and hafnium oxide (HfO2). Utilizing first-principles calculations, we explore the structural and electronic properties of the GaN/HfO2 interface with respect to the interfacial oxygen contents. In the O-rich condition, an O8 interface (eight oxygen atoms at the interface, corresponding to 100% oxygen concentration) displays the most stability. By reducing the interfacial O concentration from 100 to 25%, we find that the interface formation energy increases; when sublayer oxygen vacancies exist, the interface becomes even less stable compared with O8. The band offset is also observed to be highly dependent on the interfacial oxygen concentration. Further analysis of the electronic structure shows that no interface states are present at the O8 interface. These findings indicate that the O8 interface serves as a promising candidate for high quality III-V MOS devices. Moreover, interfacial states are present when such interfacial oxygen is partially removed. The interface states, leading to Fermi level pinning, originate from unsaturated interfacial Ga atoms.

Homogeneous Atomic Fermi Gases

NASA Astrophysics Data System (ADS)

Mukherjee, Biswaroop; Yan, Zhenjie; Patel, Parth B.; Hadzibabic, Zoran; Yefsah, Tarik; Struck, Julian; Zwierlein, Martin W.

2017-03-01

We report on the creation of homogeneous Fermi gases of ultracold atoms in a uniform potential. In the momentum distribution of a spin-polarized gas, we observe the emergence of the Fermi surface and the saturated occupation of one particle per momentum state: the striking consequence of Pauli blocking in momentum space for a degenerate gas. Cooling a spin-balanced Fermi gas at unitarity, we create homogeneous superfluids and observe spatially uniform pair condensates. For thermodynamic measurements, we introduce a hybrid potential that is harmonic in one dimension and uniform in the other two. The spatially resolved compressibility reveals the superfluid transition in a spin-balanced Fermi gas, saturation in a fully polarized Fermi gas, and strong attraction in the polaronic regime of a partially polarized Fermi gas.

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

Correlation between non-Fermi-liquid behavior and superconductivity in (Ca, La)(Fe,Co)As2 iron arsenides: A high-pressure study

NASA Astrophysics Data System (ADS)

Zhou, W.; Ke, F.; Xu, Xiaofeng; Sankar, R.; Xing, X.; Xu, C. Q.; Jiang, X. F.; Qian, B.; Zhou, N.; Zhang, Y.; Xu, M.; Li, B.; Chen, B.; Shi, Z. X.

2017-11-01

Non-Fermi-liquid (NFL) phenomena associated with correlation effects have been widely observed in the phase diagrams of unconventional superconducting families. Exploration of the correlation between the normal state NFL, regardless of its microscopic origins, and the superconductivity has been argued as a key to unveiling the mystery of the high-Tc pairing mechanism. Here we systematically investigate the pressure-dependent in-plane resistivity (ρ ) and Hall coefficient (RH) of a high-quality 112-type Fe-based superconductor Ca1 -xLaxFe1 -yCoyAs2 (x =0.2 ,y =0.02 ). With increasing pressure, the normal-state resistivity of the studied sample exhibits a pronounced crossover from non-Fermi-liquid to Fermi-liquid behaviors. Accompanied with this crossover, Tc is gradually suppressed. In parallel, the extremum in the Hall coefficient RH(T ) curve, possibly due to anisotropic scattering induced by spin fluctuations, is also gradually suppressed. The symbiosis of NFL and superconductivity implies that these two phenomena are intimately related. Further study on the pressure-dependent upper critical field reveals that the two-band effects are also gradually weakened with increasing pressure and reduced to the one-band Werthamer-Helfand-Hohenberg limit in the low-Tc regime. Overall, our paper supports the picture that NFL, multigap, and extreme RH(T ) are all of the same magnetic origin, i.e., the spin fluctuations in the 112 iron arsenide superconductors.

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

PubMed Central

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang; Wei, Su-Huai

2015-01-01

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglement of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators. PMID:26584670

Orientifolding of the ABJ Fermi gas

NASA Astrophysics Data System (ADS)

Okuyama, Kazumi

2016-03-01

The grand partition functions of ABJ theory can be factorized into even and odd parts under the reflection of fermion coordinate in the Fermi gas approach. In some cases, the even/odd part of ABJ grand partition function is equal to that of {N}=5O(n)× USp({n}^') theory, hence it is natural to think of the even/odd projection of grand partition function as an orientifolding of ABJ Fermi gas system. By a systematic WKB analysis, we determine the coefficients in the perturbative part of grand potential of such orientifold ABJ theory. We also find the exact form of the first few "half-instanton" corrections coming from the twisted sector of the reflection of fermion coordinate. For the Chern-Simons level k = 2 ,4 ,8 we find closed form expressions of the grand partition functions of orientifold ABJ theory, and for k = 2 , 4 we prove the functional relations among the grand partition functions conjectured in arXiv:1410.7658.

Hyperfine structure of the MnH X 7Sigma + state: A large gas-to-matrix shift in the Fermi contact interaction

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

1990-06-01

Sub-Doppler spectra of the A 7Π-X 7Σ+ (0,0) band of gas phase MnH near 5680 Å were recorded by intermodulated fluorescence spectroscopy. The spectra reveal hyperfine splittings arising from both the 55Mn and 1H nuclear spins. Internal hyperfine perturbations have been observed between the different spin components of the ground state at low N`. From a preliminary analysis of several rotational lines originating from the isolated and unperturbed F1(J`=3) spin component of the X 7Σ+(N`=0) level, the 55Mn Fermi contact interaction in the ground state has been measured as bF=Aiso =276(1) MHz. This value is 11% smaller than the value obtained by Weltner et al. from an electron-nuclear double resonance (ENDOR) study of MnH in an argon matrix at 4 K. This unprecedented gas-to-matrix shift in the Fermi contact parameter is discussed.

Hydrogenated borophene as a stable two-dimensional Dirac material with an ultrahigh Fermi velocity.

PubMed

Xu, Li-Chun; Du, Aijun; Kou, Liangzhi

2016-10-05

The recent synthesis of monolayer borophene (triangular boron monolayer) on a substrate has opened the era of boron nanosheets (Science, 2015, 350, 1513), but the structural instability and a need to explore the novel physical properties are still open issues. Here we demonstrated that borophene can be stabilized by full surface hydrogenation (borophane), from first-principles calculations. Most interestingly, our calculations show that borophane has direction-dependent Dirac cones, which are mainly caused by the in-plane p x and p y orbitals of boron atoms. The Dirac fermions possess an ultrahigh Fermi velocity of up to 3.5 × 10 6 m s -1 under the HSE06 level, which is 4 times higher than that of graphene. The Young's moduli are calculated to be 190 and 120 GPa nm along two different directions, which are comparable to those of steel. The ultrahigh Fermi velocity and good mechanical features render borophane ideal for nanoelectronic applications.

Metallic carbon materials

DOEpatents

Cohen, Marvin Lou; Crespi, Vincent Henry; Louie, Steven Gwon Sheng; Zettl, Alexander Karlwalter

1999-01-01

Novel metallic forms of planar carbon are described, as well as methods of designing and making them. Nonhexagonal arrangements of carbon are introduced into a graphite carbon network essentially without destroying the planar structure. Specifically a form of carbon comprising primarily pentagons and heptagons, and having a large density of states at the Fermi level is described. Other arrangements of pentagons and heptagons that include some hexagons, and structures incorporating squares and octagons are additionally disclosed. Reducing the bond angle symmetry associated with a hexagonal arrangement of carbons increases the likelihood that the carbon material will have a metallic electron structure.

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.

Exotic emergent phenomena in the fractional quantum Hall effect

NASA Astrophysics Data System (ADS)

Coimbatore Balram, Ajit

When two-dimensional electron systems are subjected to a perpendicular magnetic field, they exhibit the marvelous phenomenon known as the fractional quantum Hall effect (FQHE). This arises as a result of the formation of composite fermions (CFs), which are bound states of electrons and an even number of vortices. The FQHE of electrons is understood as arising from the integer QHE (IQHE) of CFs. Alongside superconductivity, Bose-Einstein condensation and spin-liquids, the CF quantum fluid provides a model system for understanding strongly correlated systems and their collective behavior. Although it has been more than three decades since the experimental discovery of FQHE, the field continues to produce profound insights and pose interesting problems some of which have been addressed in this thesis. A major unanswered question in the field of FQHE is the mechanism of FQHE for the 1/3 state in the second Landau level (7/3 state). Numerical studies of this state have brought out the following puzzle: exact diagonalization studies suggest that the ground state and excitations of 1/3 state in the second Landau level are different from its counterpart in the lowest Landau level (LLL), while entanglement spectra of the two states point to the fact that they fall in the same universality class. Using methods from CF theory we show that the excitations of the 7/3 FQHE lie in the same universality class as those of the 1/3 state but are strongly modified due to screening by CF excitons, thereby settling the above discrepancy. Armed with the exciton calculation, we illustrate that by imposing certain exclusion rules for CF excitons one can build the full spectrum of FQHE in the lowest Landau level. Equipped with the techniques to calculate the spectra of FQHE systems, we carry out an extensive study of FQHE of multi-component CFs (systems possessing degrees of freedom for eg: valley and spin degeneracy), which is applicable to FQHE in systems such as graphene, AlAs and GaAs quantum wells. We provide a comprehensive list of the possible fractions, their ground state energies and the critical "Zeeman" energies for the "spin" transitions between the states and compare them with the experimental observations. In the lowest Landau level of graphene, we find an excellent agreement between theory and experiments. However, in the second Landau level of graphene we find an unexpected spontaneous spin polarization of CFs. We predict that there are no spin transitions to be expected in the second Landau level of graphene, a result that could be tested out in experiments. We reanalyzed some old experimental data showing excitation modes below the Zeeman energy in the vicinity of 1/3 filling of the lowest Landau level whose theoretical origin was unexplained. Using methods of exact diagonalization and CF theory we demonstrate that these modes arise as a result of formation of trions of CFs which have sub-Zeeman energy due to skyrmion-like physics. In the past couple of years, the Fermi wave vector of CFs has been measured very accurately in pioneering experiments at Princeton University. Motivated by these experiments we address the issue of the validity of Luttinger's theorem (which is a fundamental tenet of Landau Fermi liquid theory) for the Fermi sea of CFs. Our calculations suggest that the CF Fermi sea may violate Luttinger's theorem slightly. This not only provides a nontrivial example of a non-Fermi liquid, but gives new insight into the nature of the CF Fermi sea state and opens a new line of inquiry in the field of FQHE.

Blazar flaring patterns (B-FlaP) classifying blazar candidate of uncertain type in the third Fermi-LAT catalogue by artificial neural networks

NASA Astrophysics Data System (ADS)

Chiaro, G.; Salvetti, D.; La Mura, G.; Giroletti, M.; Thompson, D. J.; Bastieri, D.

2016-11-01

The Fermi-Large Area Telescope (LAT) is currently the most important facility for investigating the GeV γ-ray sky. With Fermi-LAT, more than three thousand γ-ray sources have been discovered so far. 1144 (˜40 per cent) of the sources are active galaxies of the blazar class, and 573 (˜20 per cent) are listed as blazar candidate of uncertain type (BCU), or sources without a conclusive classification. We use the empirical cumulative distribution functions and the artificial neural networks for a fast method of screening and classification for BCUs based on data collected at γ-ray energies only, when rigorous multiwavelength analysis is not available. Based on our method, we classify 342 BCUs as BL Lacs and 154 as flat-spectrum radio quasars, while 77 objects remain uncertain. Moreover, radio analysis and direct observations in ground-based optical observatories are used as counterparts to the statistical classifications to validate the method. This approach is of interest because of the increasing number of unclassified sources in Fermi catalogues and because blazars and in particular their subclass high synchrotron peak objects are the main targets of atmospheric Cherenkov telescopes.

Fermi LAT detection of a GeV gamma-ray flare from blazar CGRaBS J0809+5341 (87GB 080551.6+535010)

NASA Astrophysics Data System (ADS)

Gasparrini, Dario

2017-10-01

The Large Area Telescope (LAT), one of two instruments on the Fermi Gamma-ray Space Telescope, has observed increasing gamma-ray emission from a source positionally consistent with the flat spectrum radio quasar CGRaBS J0809+5341 (also known as 87GB 080551.6+535010, BZQ J0809+5341 and 3FGL J0809.5+5342) with radio coordinates (J2000) R.A.: 122.4238862 deg, Dec.: 53.6903033 deg (Petrov et al. 2011, AJ, 142, 89). This blazar has a redshift z = 2.133 (Healey et al. 2008, ApJS, 175, 97). Preliminary analysis indicates that on 2017 October 26, CGRaBS J0809+5341 was in a high state with a daily averaged gamma-ray flux (E > 100 MeV) of (0.23+/-0.15) X 10^-6 photons cm^-2 s^-1 (statistical uncertainty only), about 20 times greater than its four-year average flux reported in the third Fermi-LAT source catalog (3FGL, Acero et al. 2015, ApJS, 218, 23). Because Fermi operates in an all-sky scanning mode, regular gamma-ray monitoring of this source will continue.

Effect of top gate bias on photocurrent and negative bias illumination stress instability in dual gate amorphous indium-gallium-zinc oxide thin-film transistor

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

Lee, Eunji; Chowdhury, Md Delwar Hossain; Park, Min Sang

We have studied the effect of top gate bias (V{sub TG}) on the generation of photocurrent and the decay of photocurrent for back channel etched inverted staggered dual gate structure amorphous indium-gallium-zinc-oxide (a-IGZO) thin-film-transistors. Upon 5 min of exposure of 365 nm wavelength and 0.7 mW/cm{sup 2} intensity light with negative bottom gate bias, the maximum photocurrent increases from 3.29 to 322 pA with increasing the V{sub TG} from −15 to +15 V. By changing V{sub TG} from negative to positive, the Fermi level (E{sub F}) shifts toward conduction band edge (E{sub C}), which substantially controls the conversion of neutral vacancy to charged one (V{submore » O} → V{sub O}{sup +}/V{sub O}{sup 2+} + e{sup −}/2e{sup −}), peroxide (O{sub 2}{sup 2−}) formation or conversion of ionized interstitial (O{sub i}{sup 2−}) to neutral interstitial (O{sub i}), thus electron concentration at conduction band. With increasing the exposure time, more carriers are generated, and thus, maximum photocurrent increases until being saturated. After negative bias illumination stress, the transfer curve shows −2.7 V shift at V{sub TG} = −15 V, which gradually decreases to −0.42 V shift at V{sub TG} = +15 V. It clearly reveals that the position of electron quasi-Fermi level controls the formation of donor defects (V{sub O}{sup +}/V{sub O}{sup 2+}/O{sub 2}{sup 2−}/O{sub i}) and/or hole trapping in the a-IGZO /interfaces.« less

Metal insulator transition in nickel substituted FeSi

NASA Astrophysics Data System (ADS)

Krishnan, M.; Mishra, Ashish; Singh, Durgesh; Venkatesh, R.; Gangrade, Mohan; Ganesan, V.

2018-04-01

Resistivity of Fe1-xNixSi has been reported. Metal Insulator transition (MIT) is observed in Nickel (Ni) substituted FeSi for x in the range from 2 to 4 percentage. Two Band Model has been employed in order to calculate activation energy and to predict how band structure renormalized with substitution of nickel in FeSi. At sufficient level of nickel concentration an impurity band forms around Fermi level and contributes to the conduction heavily at low temperatures. Concentration around x = 0.04, displays metallic property below ˜ 70 K and is quantitatively similar to systems like Fe1-xTxSi (T = Co, Mn). Metallic component thus derived from Ni substituted FeSi seems to have an unconventional temperature dependence that may be attributed to the onset of departures from Fermi liquid picture.

VERITAS Upper Limit on the Very High Energy Emission from the Radio Galaxy NGC 1275

DOE PAGES

Acciari, V. A.; Aliu, E.; Arlen, T.; ...

2009-11-16

We report the recent detection by the Fermi γ-ray space telescope of high-energy γ-rays from the radio galaxy NGC 1275 that makes the observation of the very high energy (VHE: E>100 GeV) part of its broadband spectrum particularly interesting, especially for the understanding of active galactic nuclei with misaligned multi-structured jets. The radio galaxy NGC 1275 was recently observed by VERITAS at energies above 100 GeV for about 8 hr. No VHE γ-ray emission was detected by VERITAS from NGC 1275. Finally, a 99% confidence level upper limit of 2.1% of the Crab Nebula flux level is obtained at themore » decorrelation energy of approximately 340 GeV, corresponding to 19% of the power-law extrapolation of the Fermi Large Area Telescope result.« less

The model of self-compensation and pinning of the Fermi level in irradiated semiconductors

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

Brudnyi, V. N.; Kolin, N. G.; Smirnov, L. S.

2007-09-15

A model is developed to analyze numerically the electrical properties and the steady-state (limiting) position of the Fermi level (F{sub lim}) in tetrahedral semiconductors irradiated with high-energy particles. It is shown that an irradiated semiconductor represents a highly compensated material, in which F{sub lim} is identical to /2, where is the average energy gap between the conduction band and valence band within the entire Brillouin zone of the crystal. The experimental values of F{sub lim}, the calculated values of /2, and the data on the electrical properties of irradiated semiconductors are presented. The chemical trends controllingmore » the variation in the quantity F{sub lim} in groups of semiconductors with the similar types of chemical bonding are analyzed.« less

XES studies of density of states of high temperature superconductors

NASA Technical Reports Server (NTRS)

Jasiolek, Gabriel

1990-01-01

X-ray emission spectroscopic studies concerning the superconducting crystals, thin films and ceramics of the Y-Ba-Cu-O, Tm-Ba-Cu-O, Bi-Sr-Ca-Cu-O, Bi-Pb-Sr-Ca-Cu-O and T1-Ba-Ca-Cu-O types are presented. The contributions of the 13d(9)L, 13d(10)L, 13d(10)LL and 13d(10)L(2) configurations, where L denotes a ligand hole at the oxygen orbitals in the spectroscopic pattern of these superconductors are discussed. An attempt to connect the x-ray 'as registered' Cu L emission spectra with the density of states close to the Fermi level, considering an influence of the CuL3 absorption edge, is presented. The corrected intensity distributions below the Fermi level are found to correspond to the theoretical density of states. Furthermore, an approach to the average valence of copper based on the account of the self-absorption and fluorescence effects and on the configurations listed above is shown. The average valence of copper in the materials investigated is estimated to lie in the range of +2.10 to 2.32 when the formal trivalent copper is considered as that characterized by the 13d(9)L configuration. The density of states at the Fermi level was estimated to be 2.4 states/eV-cell for a Bi-Sr-Ca-Cu-O crystal and 3.6 states/eV-cell for a Tl-Ba-Ca-Cu-O ceramic.

Ca 3d unoccupied states in Bi2Sr2CaCu2O8 investigated by Ca L2,3 x-ray-absorption near-edge structure

NASA Astrophysics Data System (ADS)

Borg, A.; King, P. L.; Pianetta, P.; Lindau, I.; Mitzi, D. B.; Kapitulnik, A.; Soldatov, A. V.; della Longa, S.; Bianconi, A.

1992-10-01

The high-resolution Ca L2,3 x-ray-absorption near-edge-structure (XANES) spectrum of a Bi2Sr2CaCu2O8 single crystal has been measured by use of a magnetic-projection x-ray microscope probing a surface area of 200×200 μm2. The Ca L2,3 XANES spectrum is analyzed by performing a multiple-scattering XANES calculation in real space and comparing the results with the spectrum of CaF2. Good agreement between the calculated and experimental crystal-field splitting Δf of the Ca 3d final states is found and the splitting is shown to be smaller by 0.5 eV than in the initial state. The Ca 3d partial density of states is found to be close to the Fermi level in the initial state. The Ca-O(in plane) distance is shown to be a critical parameter associated with the shift of the Ca 3d states relative to the Fermi level; in particular, we have studied the effect of the out-of-plane dimpling mode of the in-plane oxygen atoms O(in plane) that will move the Ca 3d states on or off the Fermi level. This mode can therefore play a role in modulating the charge transfer between the two CuO2 planes separated by the Ca ions.

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.

Electronic and Magnetic Properties of Ni-Doped Zinc-Blende ZnO: A First-Principles Study.

PubMed

Xue, Suqin; Zhang, Fuchun; Zhang, Shuili; Wang, Xiaoyang; Shao, Tingting

2018-04-26

The electronic structure, band structure, density of state, and magnetic properties of Ni-doped zinc-blende (ZB) ZnO are studied by using the first-principles method based on the spin-polarized density-functional theory. The calculated results show that Ni atoms can induce a stable ferromagnetic (FM) ground state in Ni-doped ZB ZnO. The magnetic moments mainly originate from the unpaired Ni 3 d orbitals, and the O 2 p orbitals contribute a little to the magnetic moments. The magnetic moment of a supercell including a single Ni atom is 0.79 μ B . The electronic structure shows that Ni-doped ZB ZnO is a half-metallic FM material. The strong spin-orbit coupling appears near the Fermi level and shows obvious asymmetry for spin-up and spin-down density of state, which indicates a significant hybrid effects from the Ni 3 d and O 2 p states. However, the coupling of the anti-ferromagnetic (AFM) state show metallic characteristic, the spin-up and spin-down energy levels pass through the Fermi surface. The magnetic moment of a single Ni atom is 0.74 μ B . Moreover, the results show that the Ni 3 d and O 2 p states have a strong p - d hybridization effect near the Fermi level and obtain a high stability. The above theoretical results demonstrate that Ni-doped zinc blende ZnO can be considered as a potential half-metal FM material and dilute magnetic semiconductors.

XES studies of density of states of high temperature superconductors

NASA Technical Reports Server (NTRS)

Jasiolek, Gabriel

1991-01-01

X-ray emission spectroscopic studies concerning the superconducting crystals, thin films, and ceramics of the Y-Ba-Cu-O, Tm-Ba-Cu-O, Bi-Sr-Ca-Cu-O, Bi-Pb-Sr-Ca-Cu-O, and Tl-Ba-Ca-Cu-O types are presented. The contributions of the 13d(9)L, 13d(10)L, 13d(10)LL, and 13d(10)L(2) configurations, where L denotes a ligand hole at the oxygen orbitals in the spectroscopic pattern of these superconductors are discussed. An attempt to connect the x-ray 'as registered' Cu L(alpha) emission spectra with the density of states close to the Fermi level, considering an influence of the CuL3 absorption edge, is presented. The corrected intensity distributions below the Fermi level are found to correspond to the theoretical density of states. Furthermore, an approach to the average valence of copper basing on the account of the self-absorption and fluorescence effects and on the configurations listed above is shown. The average valence of copper in the materials investigated is estimated to lie in the range of +2.10 to 2.32 when the formal trivalent copper is considered as that characterized by the 13d(9)L configuration. The density of states at the Fermi level was estimated to be 2.4 states/eV-cell for a Bi-Sr-Ca-Cu-O crystal and 3.6 states/eV-cell for a Tl-Ba-Ca-CU-O ceramic.

Direct measurement of Dirac point energy at the graphene/oxide interface.

PubMed

Xu, Kun; Zeng, Caifu; Zhang, Qin; Yan, Rusen; Ye, Peide; Wang, Kang; Seabaugh, Alan C; Xing, Huili Grace; Suehle, John S; Richter, Curt A; Gundlach, David J; Nguyen, N V

2013-01-09

We report the direct measurement of the Dirac point, the Fermi level, and the work function of graphene by performing internal photoemission measurements on a graphene/SiO(2)/Si structure with a unique optical-cavity enhanced test structure. A complete electronic band alignment at the graphene/SiO(2)/Si interfaces is accurately established. The observation of enhanced photoemission from a one-atom thick graphene layer was possible by taking advantage of the constructive optical interference in the SiO(2) cavity. The photoemission yield was found to follow the well-known linear density-of-states dispersion in the vicinity of the Dirac point. At the flat band condition, the Fermi level was extracted and found to reside 3.3 eV ± 0.05 eV below the bottom of the SiO(2) conduction band. When combined with the shift of the Fermi level from the Dirac point, we are able to ascertain the position of the Dirac point at 3.6 eV ± 0.05 eV with respect to the bottom of the SiO(2) conduction band edge, yielding a work function of 4.5 eV ± 0.05 eV which is in an excellent agreement with theory. The accurate determination of the work function of graphene is of significant importance to the engineering of graphene-based devices, and the measurement technique we have advanced in this Letter will have significant impact on numerous applications for emerging graphene-like 2-dimensional material systems.

Boron doped simulated graphene field effect transistor model

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

Sharma, Preetika, E-mail: preetikamadhav@yahoo.co.in; Gupta, Shuchi, E-mail: sgupta@pu.ac.in; Kaur, Inderpreet, E-mail: inderpreety@yahoo.co.in

2016-05-06

Graphene based electronic devices due to its unique properties has transformed electronics. A Graphene Field Effect Transistor (GNRFET) model is simulated in Virtual Nano Lab (VNL) and the calculations are based on density functional theory (DFT). Simulations were performed on this pristine GNRFET model and the transmission spectrum was observed. The graph obtained showed a uniform energy gap of +1 to −1eV and the highest transmission peak at −1.75 eV. To this pristine model of GNRFET, doping was introduced and its effect was seen on the Fermi level obtained in the transmission spectrum. Boron as a dopant was used whichmore » showed variations in both the transmission peaks and the energy gap. In this model, first the single boron was substituted in place of carbon and Fermi level showed an energy gap of 1.5 to −0.5eV with the highest transmission peak at −1.3 eV. In another variation in the model, two carbon atoms were replaced by two boron atoms and Fermi level shifted from 2 to 0.25eV. In this observation, the highest transmission peak was observed at −1(approx.). The use of nanoelectronic devices have opened many areas of applications as GFET is an excellent building block for electronic circuits, and is being used in applications such as high-performance frequency doublers and mixers, digital modulators, phase detectors, optoelectronics and spintronics.« less

Negative thermal quenching of photoluminescence in zinc oxide nanowire-core/graphene-shell complexes.

PubMed

Lin, S S; Chen, B G; Xiong, W; Yang, Y; He, H P; Luo, J

2012-09-10

Graphene is an atomic thin two-dimensional semimetal whereas ZnO is a direct wide band gap semiconductor with a strong light-emitting ability. In this paper, we report on photoluminescence (PL) of ZnO-nanowires (NWs)-core/Graphene-shell heterostructures, which shows a negative thermal quenching (NTQ) behavior both for the near band-edge and deep level emission. The abnormal PL behavior was understood through the charging and discharging processes between ZnO NWs and graphene. The NTQ properties are most possibly induced by the unique rapidly increasing density of states of graphene as a function of Fermi level, which promises a higher quantum tunneling probability between graphene and ZnO at a raised temperature.

Carrier Transport and Effective Barrier Height of Low Resistance Metal Contact to Highly Mg-Doped p-GaN

NASA Astrophysics Data System (ADS)

Park, Youngjun; Kim, Hyunsoo

2011-08-01

The effective barrier height and carrier transport mechanism of low resistance Ag-based contact to highly Mg-doped p-GaN were investigated. The specific contact resistance obtained was as low as 7.0×10-4 Ω cm2. The electrical resistivity of p-GaN was found to increase depending on ˜T-1/4, indicating variable-range hopping (VRH) conduction through Mg-related deep-level defects. Based on the VRH conduction model, the effective barrier height for carrier transport could be measured as 0.12 eV, which is low enough to explain the formation of excellent ohmic contact. The deep-level defects were also found to induce surface Fermi pinning.

Radio and gamma-ray properties of extragalactic jets from the TANAMI sample

DOE PAGES

Böck, M.; Kadler, M.; Müller, C.; ...

2016-05-04

The TANAMI program has been observing parsec-scale radio jets of southern (declination south of - 30°) γ-ray bright AGN, simultaneously with Fermi/LAT monitoring of their γ-ray emission, via high-resolution radio imaging with Very Long Baseline Interferometry techniques. In this paper, we present the radio and γ-rayproperties of the TANAMI sources based on one year of contemporaneous TANAMI and Fermi/LAT data. A large fraction (72%) of the TANAMI sample can be associated with bright γ-ray sources for this time range. Association rates differ for different optical classes with all BL Lacs, 76% of quasars, and just 17% of galaxies detected bymore » the LAT. Upper limits were established on the γ-ray flux from TANAMI sources not detected by LAT. This analysis led to the identification of three new Fermi sources whose detection was later confirmed. The γ-ray and radio luminosities are related by L γ ∝ L r 0.89±0.04. The brightness temperatures of the radio cores increase with the average γ-ray luminosity and the presence of brightness temperatures above the inverse Compton limit implies strong Doppler boosting in those sources. The undetected sources have lower γ/radio luminosity ratios and lower contemporaneous brightness temperatures. Finally, unless the Fermi/LAT-undetected blazars are much γ-ray-fainter than the Fermi/LAT-detected sources, their γ-ray luminosity should not be significantly lower than the upper limits calculated here.« less

Optical and electrical properties of copper-incorporated ZnS films applicable as solar cell absorbers

NASA Astrophysics Data System (ADS)

Mehrabian, M.; Esteki, Z.; Shokrvash, H.; Kavei, G.

2016-10-01

Un-doped and Cu-doped ZnS (ZnS:Cu) thin films were synthesized by Successive Ion Layer Absorption and Reaction (SILAR) method. The UV-visible absorption studies have been used to calculate the band gap values of the fabricated ZnS:Cu thin films. It was observed that by increasing the concentration of Cu2+ ions, the Fermi level moves toward the edge of the valence band of ZnS. Photoluminescence spectra of un-doped and Cu-doped ZnS thin films was recorded under 355 nm. The emission spectrum of samples has a blue emission band at 436 nm. The peak positions of the luminescence showed a red shift as the Cu2+ ion concentration was increased, which indicates that the acceptor level (of Cu2+) is getting close to the valence band of ZnS.

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

Built-in potential shift and Schottky-barrier narrowing in organic solar cells with UV-sensitive electron transport layers.

PubMed

Li, Cheng; Credgington, Dan; Ko, Doo-Hyun; Rong, Zhuxia; Wang, Jianpu; Greenham, Neil C

2014-06-28

The performance of organic solar cells incorporating solution-processed titanium suboxide (TiOx) as electron-collecting layers can be improved by UV illumination. We study the mechanism of this improvement using electrical measurements and electroabsorption spectroscopy. We propose a model in which UV illumination modifies the effective work function of the oxide layer through a significant increase in its free electron density. This leads to a dramatic improvement in device power conversion efficiency through several mechanisms - increasing the built-in potential by 0.3 V, increasing the conductivity of the TiOx layer and narrowing the interfacial Schottky barrier between the suboxide and the underlying transparent electrode. This work highlights the importance of considering Fermi-level equilibration when designing multi-layer transparent electrodes.

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.

Kosterlitz-Thouless transition and vortex-antivortex lattice melting in two-dimensional Fermi gases with p - or d -wave pairing

NASA Astrophysics Data System (ADS)

Cao, Gaoqing; He, Lianyi; Huang, Xu-Guang

2017-12-01

We present a theoretical study of the finite-temperature Kosterlitz-Thouless (KT) and vortex-antivortex lattice (VAL) melting transitions in two-dimensional Fermi gases with p - or d -wave pairing. For both pairings, when the interaction is tuned from weak to strong attractions, we observe a quantum phase transition from the Bardeen-Cooper-Schrieffer (BCS) superfluidity to the Bose-Einstein condensation (BEC) of difermions. The KT and VAL transition temperatures increase during this BCS-BEC transition and approach constant values in the deep BEC region. The BCS-BEC transition is characterized by the nonanalyticities of the chemical potential, the superfluid order parameter, and the sound velocities as functions of the interaction strength at both zero and finite temperatures; however, the temperature effect tends to weaken the nonanalyticities compared to the zero-temperature case. The effect of mismatched Fermi surfaces on the d -wave pairing is also studied.

Specific heat and effects of strong pairing fluctuations in a superfluid Fermi atom gas in the BCS-BEC crossover region

NASA Astrophysics Data System (ADS)

van Wyk, Pieter; Inotani, Daisuke; Ohashi, Yoji

2018-03-01

We theoretically investigate the specific heat at constant volume C V in the BCS(Bardeen-Cooper-Schrieffer)-BEC(Bose-Einstein-condensation)-crossover regime of an ultracold Fermi gas, below the superfluid phase transition temperature T c. Within the strong-coupling framework developed by Nozières and Schmitt-Rink, we show that the temperature dependence of C V drastically changes as one passes through the crossover region, and is sensitive to strong fluctuations in the Cooper channel near the unitarity limit. We also compare our results to a recent experiment on a 6Li unitary Fermi gas. Since fluctuation effects are a crucial key in the BCS-BEC-crossover phenomenon, our results would be helpful in considering how the fermionic BCS superfluid changes into BEC with increasing the interaction strength, from the viewpoint of specific heat.

Collective modes of an imbalanced unitary Fermi gas

NASA Astrophysics Data System (ADS)

Hofmann, Johannes; Chevy, Frédéric; Goulko, Olga; Lobo, Carlos

2018-03-01

We study theoretically the collective mode spectrum of a strongly imbalanced two-component unitary Fermi gas in a cigar-shaped trap, where the minority species forms a gas of polarons. We describe the collective breathing mode of the gas in terms of the Fermi-liquid kinetic equation taking collisions into account using the method of moments. Our results for the frequency and damping of the longitudinal in-phase breathing mode are in good quantitative agreement with an experiment by Nascimbène et al. [Phys. Rev. Lett. 103, 170402 (2009), 10.1103/PhysRevLett.103.170402] and interpolate between a hydrodynamic and a collisionless regime as the polarization is increased. A separate out-of phase breathing mode, which for a collisionless gas is sensitive to the effective mass of the polaron, however, is strongly damped at finite temperature, whereas the experiment observes a well-defined oscillation.

Superconductivity versus bound-state formation in a two-band superconductor with small Fermi energy: Applications to Fe pnictides/chalcogenides and doped SrTiO3

NASA Astrophysics Data System (ADS)

Chubukov, Andrey V.; Eremin, Ilya; Efremov, Dmitri V.

2016-05-01

We analyze the interplay between superconductivity and the formation of bound pairs of fermions (BCS-BEC crossover) in a 2D model of interacting fermions with small Fermi energy EF and weak attractive interaction, which extends to energies well above EF. The 2D case is special because a two-particle bound state forms at arbitrary weak interaction, and already at weak coupling, one has to distinguish between the bound-state formation and superconductivity. We briefly review the situation in the one-band model and then consider two different two-band models: one with one hole band and one electron band and another with two hole or two electron bands. In each case, we obtain the bound-state energy 2 E0 for two fermions in a vacuum and solve the set of coupled equations for the pairing gaps and the chemical potentials to obtain the onset temperature of the pairing Tins and the quasiparticle dispersion at T =0 . We then compute the superfluid stiffness ρs(T =0 ) and obtain the actual Tc. For definiteness, we set EF in one band to be near zero and consider different ratios of E0 and EF in the other band. We show that at EF≫E0 , the behavior of both two-band models is BCS-like in the sense that Tc≈Tins≪EF and Δ ˜Tc . At EF≪E0 , the two models behave differently: in the model with two hole/two electron bands, Tins˜E0/lnE/0EF , Δ ˜(E0EF) 1 /2 , and Tc˜EF , like in the one-band model. In between Tins and Tc, the system displays a preformed pair behavior. In the model with one hole and one electron bands, Tc remains of order Tins, and both remain finite at EF=0 and of the order of E0. The preformed pair behavior still does exist in this model because Tc is numerically smaller than Tins. For both models, we reexpress Tins in terms of the fully renormalized two-particle scattering amplitude by extending to the two-band case (the method pioneered by Gorkov and Melik-Barkhudarov back in 1961). We apply our results for the model with a hole and an electron band to Fe pnictides and Fe chalcogenides in which a superconducting gap has been detected on the bands that do not cross the Fermi level, and to FeSe, in which the superconducting gap is comparable to the Fermi energy. We apply the results for the model with two electron bands to Nb-doped SrTiO3 and argue that our theory explains the rapid increase of Tc when both bands start crossing the Fermi level.

M. Giroletti (INAF-IRA Bologna), M. Orienti (Univ. Bologna, INAF-IRA Bologna), C. C. Cheung (NRL/NRL) on behalf of the Fermi Large Area Telescope Collaboration

NASA Astrophysics Data System (ADS)

Giroletti, M.; Orienti, M.; Cheung, C. C.

2012-09-01

The Large Area Telescope (LAT), on board the Fermi Gamma-ray Space Telescope, has observed an increasing gamma-ray flux from a source positionally consistent with the blazar S3 0218+35 (also known as 2FGL J0221.0+3555, Nolan et al. 2012, ApJS, 199, 31) with radio coordinates R.A.: 35.27279 deg, Dec: +35.93715 deg (J2000, Patnaik et al. 1992, MNRAS, 254, 655).

Fermi LAT detection of renewed gamma-ray activity from the FSRQ PKS 2326-502

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Torresi, E.

2012-06-01

The Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope has observed an increasing gamma-ray flux from a source positionally consistent with the Flat Spectrum Radio Quasar PKS 2326-502 (also known as 2FGL J2329.2-4956, Nolan et al. 2012, ApJS, 199, 31; R.A.=23:29:20.880 Dec.=-49:55:40.68, J2000.0, Costa and Loyola 1996, A&AS, 115, 75) at redshift z=0.518 (Jauncey et al. 1984, ApJ, 286, 498).

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.

Fermi Surface of Metallic V_{2}O_{3} from Angle-Resolved Photoemission: Mid-level Filling of e_{g}^{π} Bands.

PubMed

Lo Vecchio, I; Denlinger, J D; Krupin, O; Kim, B J; Metcalf, P A; Lupi, S; Allen, J W; Lanzara, A

2016-10-14

Using angle resolved photoemission spectroscopy, we report the first band dispersions and distinct features of the bulk Fermi surface (FS) in the paramagnetic metallic phase of the prototypical metal-insulator transition material V_{2}O_{3}. Along the c axis we observe both an electron pocket and a triangular holelike FS topology, showing that both V 3d a_{1g} and e_{g}^{π} states contribute to the FS. These results challenge the existing correlation-enhanced crystal field splitting theoretical explanation for the transition mechanism and pave the way for the solution of this mystery.

Competing order parameters in Fermi systems with engineered band dispersion

NASA Astrophysics Data System (ADS)

Wu, Chien-Te; Boyack, Rufus; Anderson, Brandon; Levin, K.

We explore a variety of competing phases in 2D and 3D Fermi gases in the presence of novel dispersion relations resulting from a shaken optical lattice. We incorporate spin imbalance along with attractive interactions. In 3D, at the mean field level we present phase diagrams reflecting the stability of alternative order parameters in the pairing (including LOFF) and charge density wave channels. We perform analogous studies in 2D, where we focus on the competition between different paired phases. Important in this regard is that our 2D studies are consistent with the Mermin Wagner theorem, so that, while there is competition, conventional superfluidity cannot occur

Electronic structure of scandium-doped MgB2

NASA Astrophysics Data System (ADS)

de La Peña, Omar; Agrestini, Stefano

2005-03-01

Recently has been reported the synthesis of a new superconducting alloy based on MgB2, where Mg is partially substituted with Sc. In order to analyze the effect of Sc doping on the structural and superconducting properties of Mg1-xScxB2, we have performed a detailed study of the electronic structure for this new diboride. The calculations have been done using the first-principles LAPW method, within the supercell approach for modeling the doping. In this work we report results for the electronic band structure, Fermi surface, and density of states. The effect of the Sc-d orbitals on the structural and electronic properties of Mg1-xScxB2 is analyzed. Increasing the Sc concentration (x) the σ-band is gradually filled, because Sc have one valence electron more than Mg. Interestingly, the analysis of the band structure shows that even for ScB2 the top of the σ-band remain above the Fermi level, nevertheless the σ-band presents high dispersion and has an important contribution of d states. In this way, in addition to the band filling effect, Sc doping gradually reduces the two-dimensional character of the σ- band in Mg1-xScxB2 as a result of increasing the sp(B)-d(Sc) hybridization. This research was partially supported by Consejo Nacional de Ciencia y Tecnolog'ia (CONACYT, M'exico) under Grant. No. 43830-F

Electronic properties and bonding in Zr Hx thin films investigated by valence-band x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans

2017-11-01

The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.

Number of holes contained within the Fermi surface volume in underdoped high-temperature superconductors

DOE PAGES

Harrison, Neil

2016-08-16

Here, we provide a potential solution to the longstanding problem relating Fermi surface reconstruction to the number of holes contained within the Fermi surface volume in underdoped high T c superconductors. On considering uniaxial and biaxial charge-density wave order, we show that there exists a relationship between the ordering wave vector, the hole doping, and the cross-sectional area of the reconstructed Fermi surface whose precise form depends on the volume of the starting Fermi surface. We consider a “large” starting Fermi surface comprising 1+p hole carriers, as predicted by band structure calculations, and a “small” starting Fermi surface comprising pmore » hole carriers, as proposed in models in which the Coulomb repulsion remains the dominant energy. Using the reconstructed Fermi surface cross-sectional area obtained in quantum oscillation experiments in YBa 2Cu 3O 6+x and HgBa 2CuO 4+x and the established methods for estimating the chemical hole doping, we find the ordering vectors obtained from x-ray scattering measurements to show a close correspondence with those expected for the small starting Fermi surface. We therefore show the quantum oscillation frequency and charge-density wave vectors provide accurate estimates for the number of holes contributing to the Fermi surface volume in the pseudogap regime.« less

Number of holes contained within the Fermi surface volume in underdoped high-temperature superconductors

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

Harrison, Neil

Here, we provide a potential solution to the longstanding problem relating Fermi surface reconstruction to the number of holes contained within the Fermi surface volume in underdoped high T c superconductors. On considering uniaxial and biaxial charge-density wave order, we show that there exists a relationship between the ordering wave vector, the hole doping, and the cross-sectional area of the reconstructed Fermi surface whose precise form depends on the volume of the starting Fermi surface. We consider a “large” starting Fermi surface comprising 1+p hole carriers, as predicted by band structure calculations, and a “small” starting Fermi surface comprising pmore » hole carriers, as proposed in models in which the Coulomb repulsion remains the dominant energy. Using the reconstructed Fermi surface cross-sectional area obtained in quantum oscillation experiments in YBa 2Cu 3O 6+x and HgBa 2CuO 4+x and the established methods for estimating the chemical hole doping, we find the ordering vectors obtained from x-ray scattering measurements to show a close correspondence with those expected for the small starting Fermi surface. We therefore show the quantum oscillation frequency and charge-density wave vectors provide accurate estimates for the number of holes contributing to the Fermi surface volume in the pseudogap regime.« less

Fermi surfaces in Kondo insulators

NASA Astrophysics Data System (ADS)

Liu, Hsu; Hartstein, Máté; Wallace, Gregory J.; Davies, Alexander J.; Ciomaga Hatnean, Monica; Johannes, Michelle D.; Shitsevalova, Natalya; Balakrishnan, Geetha; Sebastian, Suchitra E.

2018-04-01

We report magnetic quantum oscillations measured using torque magnetisation in the Kondo insulator YbB12 and discuss the potential origin of the underlying Fermi surface. Observed quantum oscillations as well as complementary quantities such as a finite linear specific heat capacity in YbB12 exhibit similarities with the Kondo insulator SmB6, yet also crucial differences. Small heavy Fermi sections are observed in YbB12 with similarities to the neighbouring heavy fermion semimetallic Fermi surface, in contrast to large light Fermi surface sections in SmB6 which are more similar to the conduction electron Fermi surface. A rich spectrum of theoretical models is suggested to explain the origin across different Kondo insulating families of a bulk Fermi surface potentially from novel itinerant quasiparticles that couple to magnetic fields, yet do not couple to weak DC electric fields.

Metal oxide induced charge transfer doping and band alignment of graphene electrodes for efficient organic light emitting diodes.

PubMed

Meyer, Jens; Kidambi, Piran R; Bayer, Bernhard C; Weijtens, Christ; Kuhn, Anton; Centeno, Alba; Pesquera, Amaia; Zurutuza, Amaia; Robertson, John; Hofmann, Stephan

2014-06-20

The interface structure of graphene with thermally evaporated metal oxide layers, in particular molybdenum trioxide (MoO3), is studied combining photoemission spectroscopy, sheet resistance measurements and organic light emitting diode (OLED) characterization. Thin (<5 nm) MoO3 layers give rise to an 1.9 eV large interface dipole and a downwards bending of the MoO3 conduction band towards the Fermi level of graphene, leading to a near ideal alignment of the transport levels. The surface charge transfer manifests itself also as strong and stable p-type doping of the graphene layers, with the Fermi level downshifted by 0.25 eV and sheet resistance values consistently below 50 Ω/sq for few-layer graphene films. The combination of stable doping and highly efficient charge extraction/injection allows the demonstration of simplified graphene-based OLED device stacks with efficiencies exceeding those of standard ITO reference devices.

Effect of doping on electronic properties of HgSe

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

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

2016-05-23

First principle study of electronic properties of pure and doped HgSe have been performed using all electron Full Potential Linearized Augmented Plane Wave (FP-LAPW) method using ELK code. The electronic exchange and co-relations are considered using Generalized Gradient Approach (GGA). Lattice parameter, Density of States (DOS) and Band structure calculations have been performed. The total energy curve (Energy vs Lattice parameter), DOS and band structure calculations are in good agreement with the experimental values and those obtained using other DFT codes. The doped material is studied within the Virtual Crystal Approximation (VCA) with doping levels of 10% to 25% ofmore » electrons (hole) per unit cell. Results predict zero band gap in undopedHgSe and bands meet at Fermi level near the symmetry point Γ. For doped HgSe, we found that by electron (hole) doping, the point where conduction and valence bands meet can be shifted below (above) the fermi level.« less

Interface electronic structures of reversible double-docking self-assembled monolayers on an Au(111) surface

PubMed Central

Zhang, Tian; Ma, Zhongyun; Wang, Linjun; Xi, Jinyang; Shuai, Zhigang

2014-01-01

Double-docking self-assembled monolayers (DDSAMs), namely self-assembled monolayers (SAMs) formed by molecules possessing two docking groups, provide great flexibility to tune the work function of metal electrodes and the tunnelling barrier between metal electrodes and the SAMs, and thus offer promising applications in both organic and molecular electronics. Based on the dispersion-corrected density functional theory (DFT) in comparison with conventional DFT, we carry out a systematic investigation on the dual configurations of a series of DDSAMs on an Au(111) surface. Through analysing the interface electronic structures, we obtain the relationship between single molecular properties and the SAM-induced work-function modification as well as the level alignment between the metal Fermi level and molecular frontier states. The two possible conformations of one type of DDSAM on a metal surface reveal a strong difference in the work-function modification and the electron/hole tunnelling barriers. Fermi-level pinning is found to be a key factor to understand the interface electronic properties. PMID:24615153

An unusual metallic behavior in a Ag4SSe single crystal

NASA Astrophysics Data System (ADS)

Matteppanavar, Shidaling; Bui, Nguyen Hai An; van Smaalen, Sander; Thamizhavel, A.; Ramakrishnan, S.

2018-04-01

We report the magnetic susceptibility, resistivity and heat capacity measurements on high quality single crystalline tetra silver sulphoselenide (Ag4SSe). The magnetic susceptibility and resistivity measurements show anomalies around 260 K. The large diamagnetic drop with hysteresis at the transition implies a first order transition. Such a diamagnetic drop cannot be ascribed to the formation of charge density wave (CDW) since the temperature dependence of the resistivity shows no upturn at this transition. Infact the resistivity is decreasing with decreasing temperature, indicating a metallic behavior. However, unlike normal metals, the resistivity is almost temperature independent in the temperature range from 4-180 K. Usually, when one observes a diamagnetic transition, it is assumed to be due to a drop in the density of states at the Fermi level which leads to the decrease in the Pauli paramagnetic susceptibility. Such a decrease in the density of states often results in an increase in resistivity unless mobility of the charge carriers changes significantly. Hence, we believe that in Ag4SSe, the structural transition causes an unusual Fermi surface reconstruction which in turn leads to a strange metallic behavior at low temperatures.

Spin re-orientation in heavy fermion system α - YbAl1 - x FexB4

NASA Astrophysics Data System (ADS)

Wu, Shan; Broholm, C.; Kuga, K.; Suzuki, Shintaro; Nakatsuji, S.; Mourigal, M.; Stone, M.; Tian, Wei; Qiu, Y.; Rodriguez-Rivera, Jose

Non centro-symmetric α - YbAlB4 has a heavy Fermi liquid ground state and shares many characteristics with centro-symmetric β - YbAlB4 . Both isomorphs display intermediate valence, associated with a fluctuation scale of T0 = 200 K and a Kondo lattice scale of T* = 8 K. Unlike β - YbAlB4 , α - YbAlB4 is at the boundary of a transition from a Fermi liquid metallic state to an antiferromagnetic (AFM) insulating state, driven by Fe substitution of Al. Magnetization and specific heat measurements reveal two different antiferromagnetic phases with TN = 9 K and TN = 2 K for Fe concentration above and below x =0.07. We report single crystal neutron scattering experiments on Fe doped YbAlB4 with x =0.035 and x =0.125. While the ordering wave vector is identical, k -> = (1 , 0 , 0) , the spin orientation switches from c to a with increasing Fe concentration. This suggests different anisotropic hybridization between 4f and conduction electrons that we confirmed by determining the crystal field levels. Supported by DOE, BES through DE-FG02-08ER46544.

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.

Fermi surface properties of NbAs2 studied by de Haas-van Alphen oscillation

NASA Astrophysics Data System (ADS)

Singha, Ratnadwip; Mandal, Prabhat

2018-04-01

We have grown high quality single crystal of NbAs2, a member of the transition metal dipnictide family and measured magnetotransport properties. Very large magnetoresistance ˜1.3×105 % has been observed at 2 K with 9 T magnetic field. The Fermi surface properties have been studied by de Haas-van Alphen oscillation technique. The Fermi surface is highly anisotropic and consists of multiple Fermi pockets. From quantum oscillation results, different Fermi surface related parameters have been quantified.

75 FR 76054 - Detroit Edison Company Fermi, Unit 2; Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-07

... licensee anticipates using rail to ship radioactive waste. From the licensee's experience with radioactive..., section III.E, to investigate and file a report to the NRC if shipments of low-level radioactive waste are... exemption would extend the time period that can elapse during shipments of low-level radioactive waste...

Single-Particle Properties of a Strongly Interacting Bose-Fermi Mixture Above the BEC Phase Transition Temperature

NASA Astrophysics Data System (ADS)

Kharga, D.; Inotani, D.; Hanai, R.; Ohashi, Y.

2017-06-01

We theoretically investigate the normal state properties of a Bose-Fermi mixture with a strong attractive interaction between Fermi and Bose atoms. We extend the ordinary T-matrix approximation (TMA) with respect to Bose-Fermi pairing fluctuations, to include the Hugenholtz-Pines' relation for all Bose Green's functions appearing in TMA self-energy diagrams. This extension is shown to be essentially important to correctly describe the physical properties of the Bose-Fermi mixture, especially near the Bose-Einstein condensation instability. Using this improved TMA, we clarify how the formation of composite fermions affects Bose and Fermi single-particle excitation spectra, over the entire interaction strength.

Tunable Fermi Contour Anisotropy in GaAs Electron and Hole Systems

NASA Astrophysics Data System (ADS)

Kamburov, Dobromir G.

This Thesis explores the ballistic transport of quasi two-dimensional (2D) electron and hole systems confined to GaAs quantum wells and subjected to a periodic, strain-induced density modulation. In the presence of an applied perpendicular magnetic field, whenever the diameter of the charged carriers' cyclotron orbit becomes commensurate with the period of the density modulation, the sample's resistance exhibits commensurability features. We use the commensurability effects to directly probe the size of the cyclotron orbit, the Fermi contour, and the spin-polarization of particles at low magnetic field and of composite fermions near even-denominator Landau level filling factors (nu). We establish how the commensurability signatures depend on the sample parameters, including the carrier density, the modulation period, and the width of the confining quantum well. In the presence of a small perpendicular magnetic field (B⊥ ), both 2D electrons and holes are essentially spin-unpolarized and their Fermi contours are nearly circular. When an additional parallel component B∥ is introduced, it couples to the carriers' out-of-plane motion and leads to a severe distortion of the energy bands and the Fermi contours. The degree of anisotropy is typically stronger in the wider quantum wells but it also depends on the carrier type. For a given QW width, holes become anisotropic more readily than electrons. The application of B ∥ also affects the spin-polarization of the carriers. Hole samples, for example, become more spin-polarized compared to electrons. We can semi-quantitatively explain the shape and size of the electron and hole Fermi contours with a theoretical calculation with no adjustable parameters based on an 8 x 8 Kane Hamiltonian. In addition to the electron and hole data at low perpendicular magnetic fields, we observe commensurability features for composite fermions near Landau level filling factors nu = 3=2, 1/2, and 1/4. Our data reveal an asymmetry of the composite fermion commensurability features on the two sides of filling factors nu = 1=2 and 3=2. The asymmetry is a fascinating manifestation of a subtle breaking of the particle-hole equivalence in the ballistic transport of composite fermions. It is consistent with a transport picture in which the minority carriers capture flux quanta to form composite fermions. We also employ commensurability oscillations as a tool to probe and quantify the effect of B∥ on the composite fermion Fermi contours. Our measurements reveal that, thanks to the finite layer thickness of the carriers and the coupling of their out-of-plane motion to B∥, the Fermi contours of nu = 1=2 and 3/2 composite fermions are significantly distorted. Furthermore, depending on the width of the quantum well and the sample density, in the vicinity of nu = 3=2 the spin-polarization of the composite fermions varies while near nu = 1=2 they remain fully spin-polarized.

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.

Modeling Emerging Solar Cell Materials and Devices

NASA Astrophysics Data System (ADS)

Thongprong, Non

Organic photovoltaics (OPVs) and perovskite solar cells are emerging classes of solar cell that are promising for clean energy alternatives to fossil fuels. Understanding fundamental physics of these materials is crucial for improving their energy conversion efficiencies and promoting them to practical applications. Current density-voltage (JV) curves; which are important indicators of OPV efficiency, have direct connections to many fundamental properties of solar cells. They can be described by the Shockley diode equation, resulting in fitting parameters; series and parallel resistance (Rs and Rp), diode saturation current ( J0) and ideality factor (n). However, the Shockley equation was developed specifically for inorganic p-n junction diodes, so it lacks physical meanings when it is applied to OPVs. Hence, the puRposes of this work are to understand the fundamental physics of OPVs and to develop new diode equations in the same form as the Shockley equation that are based on OPV physics. We develop a numerical drift-diffusion simulation model to study bilayer OPVs, which will be called the drift-diffusion for bilayer interface (DD-BI) model. The model solves Poisson, drift-diffusion and current-continuity equations self-consistently for charge densities and potential profiles of a bilayer device with an organic heterojunction interface described by the GWWF model. We also derive new diode equations that have JV curves consistent with the DD-BI model and thus will be called self-consistent diode (SCD) equations. Using the DD-BI and the SCD model allows us to understand working principles of bilayer OPVs and physical definitions of the Shockley parameters. Due to low carrier mobilities in OPVs, space charge accumulation is common especially near the interface and electrodes. Hence, quasi-Fermi levels (i.e. chemical potentials), which depend on charge densities, are modified around the interface, resulting in a splitting of quasi-Fermi levels that works as a driving potential for the heterojunction diode. This brings about the meaning of R s as the resistance that gives rise to the diode voltage equal to the interface quasi-Fermi level splitting instead of the voltage between the electrodes. Quasi-Fermi levels that drop near the electrodes because of unmatched electrode work functions or due to charge injection can also increase Rs. Furthermore, we are able to study dissociation and recombination rates of bound charge pairs across the interface (i.e. polaron pairs or PPs) and arrive at the physical meaning of Rp as recombination resistance of PPs. In the dark, PP density is very low, so Rp is possibly caused by a tunneling leakage current at the interface. Ideality factors are parameters that depend on the split of quasi-Fermi levels and the ratio of recombination rate to recombination rate at equilibrium. Even though they are related to trap characteristics as normally understood, their relations are complicated and careful inte Rpretations of fitted ideality factors are needed. Our models are successfully applied to actual devices, and useful physics can be deduced, for example differences between the Shockley parameters under dark and illumination conditions. Another puRpose of this thesis is to study electronic properties of CsSnBr3 perovskite and processes of growing the perovskite film using an epitaxy technique. Calculation results using density functional theory reveal that a CsSnBr3 film that is grown on a NaCl(100) substrate can undergo a phase transition to CsSn 2Br5, which is a wide-bandgap semiconductor material. Actual mechanisms of the transition and the interface between CsSnBr3 and CsSn2Br5are interesting for future studies.

PdO Doping Tunes Band-Gap Energy Levels as Well as Oxidative Stress Responses to a Co3O4p-Type Semiconductor in Cells and the Lung

PubMed Central

2014-01-01

We demonstrate through PdO doping that creation of heterojunctions on Co3O4 nanoparticles can quantitatively adjust band-gap and Fermi energy levels to study the impact of metal oxide nanoparticle semiconductor properties on cellular redox homeostasis and hazard potential. Flame spray pyrolysis (FSP) was used to synthesize a nanoparticle library in which the gradual increase in the PdO content (0–8.9%) allowed electron transfer from Co3O4 to PdO to align Fermi energy levels across the heterojunctions. This alignment was accompanied by free hole accumulation at the Co3O4 interface and production of hydroxyl radicals. Interestingly, there was no concomitant superoxide generation, which could reflect the hole dominance of a p-type semiconductor. Although the electron flux across the heterojunctions induced upward band bending, the Ec levels of the doped particles showed energy overlap with the biological redox potential (BRP). This allows electron capture from the redox couples that maintain the BRP from −4.12 to −4.84 eV, causing disruption of cellular redox homeostasis and induction of oxidative stress. PdO/Co3O4 nanoparticles showed significant increases in cytotoxicity at 25, 50, 100, and 200 μg/mL, which was enhanced incrementally by PdO doping in BEAS-2B and RAW 264.7 cells. Oxidative stress presented as a tiered cellular response involving superoxide generation, glutathione depletion, cytokine production, and cytotoxicity in epithelial and macrophage cell lines. A progressive series of acute pro-inflammatory effects could also be seen in the lungs of animals exposed to incremental PdO-doped particles. All considered, generation of a combinatorial PdO/Co3O4 nanoparticle library with incremental heterojunction density allowed us to demonstrate the integrated role of Ev, Ec, and Ef levels in the generation of oxidant injury and inflammation by the p-type semiconductor, Co3O4. PMID:24673286

PdO doping tunes band-gap energy levels as well as oxidative stress responses to a Co₃O₄ p-type semiconductor in cells and the lung.

PubMed

Zhang, Haiyuan; Pokhrel, Suman; Ji, Zhaoxia; Meng, Huan; Wang, Xiang; Lin, Sijie; Chang, Chong Hyun; Li, Linjiang; Li, Ruibin; Sun, Bingbing; Wang, Meiying; Liao, Yu-Pei; Liu, Rong; Xia, Tian; Mädler, Lutz; Nel, André E

2014-04-30

We demonstrate through PdO doping that creation of heterojunctions on Co3O4 nanoparticles can quantitatively adjust band-gap and Fermi energy levels to study the impact of metal oxide nanoparticle semiconductor properties on cellular redox homeostasis and hazard potential. Flame spray pyrolysis (FSP) was used to synthesize a nanoparticle library in which the gradual increase in the PdO content (0-8.9%) allowed electron transfer from Co3O4 to PdO to align Fermi energy levels across the heterojunctions. This alignment was accompanied by free hole accumulation at the Co3O4 interface and production of hydroxyl radicals. Interestingly, there was no concomitant superoxide generation, which could reflect the hole dominance of a p-type semiconductor. Although the electron flux across the heterojunctions induced upward band bending, the E(c) levels of the doped particles showed energy overlap with the biological redox potential (BRP). This allows electron capture from the redox couples that maintain the BRP from -4.12 to -4.84 eV, causing disruption of cellular redox homeostasis and induction of oxidative stress. PdO/Co3O4 nanoparticles showed significant increases in cytotoxicity at 25, 50, 100, and 200 μg/mL, which was enhanced incrementally by PdO doping in BEAS-2B and RAW 264.7 cells. Oxidative stress presented as a tiered cellular response involving superoxide generation, glutathione depletion, cytokine production, and cytotoxicity in epithelial and macrophage cell lines. A progressive series of acute pro-inflammatory effects could also be seen in the lungs of animals exposed to incremental PdO-doped particles. All considered, generation of a combinatorial PdO/Co3O4 nanoparticle library with incremental heterojunction density allowed us to demonstrate the integrated role of E(v), E(c), and E(f) levels in the generation of oxidant injury and inflammation by the p-type semiconductor, Co3O4.

Spin fluctations and heavy fermions in the Kondo lattice

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

Khaliullin, G.G.

1994-09-01

This paper studies the spectrum of the spin and electronic excitations of the Kondo lattice at low temperatures. To avoid unphysical states, the Mattis {open_quotes}drone{close_quotes}-fermion representation for localized spins is employed. First, the known Fermi liquid properties of a single impurity are examined. The behavior of the correlator between a localized spin and the electron spin density at large distances shows that the effective interaction between electrons on the Fermi level and low-energy localized spin fluctuations scales as {rho}{sup {minus}1}, where {rho} is the band-state density. This fact is developed into a renormalization of the band spectrum in a periodicmore » lattice. If the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between localized spins is much smaller than the Kondo fluctuation frequency {omega}{sub k}, the temperature of the crossover to the single-parameter Fermi liquid mode is determined by {omega}{sub k}. When the RKKY interaction becomes of order {omega}{sub k}, there is a new scale {omega}{sub sf}, the energy of the (antiferromagnetic) paramagnon mode, with {omega}{sub sf}{much_lt}{omega}{sub k}. Here the coherent Fermi liquid regime is realized only below a temperature T{sub coh} of order {omega}{sub sf}, while above T{sub coh} quasiparticle damping exhibits a linear temperature dependence. Finally, the nuclear-spin relaxation rate is calculated. 42 refs.« less

When a Standard Candle Flickers: Hard X-ray Variations in the Crab Nebula

NASA Technical Reports Server (NTRS)

Wilson-Hodge, Colleen; Cherry, Michael L.; Case, Gary L.; Baumgartner, Wayne H.; Beklen, Elif; Bhat, Narayana P.; Briggs, Michael S.; Buehler, Rolf; Camero-Arranz, Ascension; Connaughton, Valerie;

Topological surface Fermi arcs in the magnetic Weyl semimetal Co3Sn2S2

NASA Astrophysics Data System (ADS)

Xu, Qiunan; Liu, Enke; Shi, Wujun; Muechler, Lukas; Gayles, Jacob; Felser, Claudia; Sun, Yan

2018-06-01

Very recently, the half-metallic compound Co3Sn2S2 was proposed to be a magnetic Weyl semimetal (WSM) with Weyl points only 60 meV above the Fermi level EF. Owing to the low charge carrier density and large Berry curvature induced, Co3Sn2S2 possesses both a large anomalous Hall conductivity and a large anomalous Hall angle, which provide strong evidence for the existence of Weyl points in Co3Sn2S2 . In this work, we theoretically study the surface topological feature of Co3Sn2S2 and its counterpart Co3Sn2Se2 . By cleaving the sample at the weak Sn-S/Se bonds, one can achieve two different surfaces terminated with Sn and S/Se atoms, respectively. The resulting Fermi-arc-related states can range from the energy of the Weyl points to EF-0.1 eV in the Sn-terminated surface. Therefore, it should be possible to observe the Fermi arcs in angle-resolved photoemission spectroscopy (ARPES) measurements. Furthermore, in order to simulate quasiparticle interference in scanning tunneling microscopy (STM) measurements, we also calculate the joint density of states for both terminals. This work should be helpful for a comprehensive understanding of the topological properties of these two magnetic WSMs and further ARPES and STM measurements.

Anisotropic Fermi surface and quantum limit transport in high mobility three-dimensional Dirac semimetal Cd 3As 2

DOE PAGES

Zhao, Yanfei; Liu, Haiwen; Zhang, Chenglong; ...

2015-09-16

Three-dimensional (3D) topological Dirac semimetals have a linear dispersion in the 3D momentum space and are viewed as the 3D analogues of graphene. Here, we report angle dependent magnetotransport on the newly revealed Cd 3As 2 single crystals and clearly show how the Fermi surface evolves with crystallographic orientations. Remarkably, when the magnetic field lies in [112] or [44more » $$\\bar{1}$$] axis, magnetoresistance oscillations with only single period are present. However, the oscillation shows double periods when the field is applied along [1$$\\bar{1}$$0] direction. Moreover, aligning the magnetic field at certain directions also gives rise to double period oscillations. We attribute the observed anomalous oscillation behavior to the sophisticated geometry of Fermi surface and illustrate a complete 3D Fermi surfaces with two nested anisotropic ellipsoids around the Dirac points. Additionally, a sub-millimeter mean free path at 6 K is found in Cd 3As 2 crystals, indicating ballistic transport in this material. By measuring the magnetoresistance up to 60 T, we reach the quantum limit (n = 1 Landau level) at about 43 T. Lastly, these results improve the knowledge of the Dirac semimetal material Cd 3As 2, and also pave the way for proposing new electronic applications based on 3D Dirac materials.« less

Kohn's theorem in a superfluid Fermi gas with a Feshbach resonance

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

Ohashi, Y.

2004-12-01

We investigate the dipole mode in a superfluid gas of Fermi atoms trapped in a harmonic potential. According to Kohn's theorem, the frequency of this collective mode is not affected by an interaction between the atoms and is always equal to the trap frequency. This remarkable property, however, does not necessarily hold in an approximate theory. We explicitly prove that the Hartree-Fock-Bogoliubov generalized random phase approximation (HFB-GRPA), including a coupling between fluctuations in the density and Cooper channels, is consistent with both Kohn's theorem as well as Goldstone's theorem. This proof can be immediately extended to the strong-coupling superfluid theorymore » developed by Nozieres and Schmitt-Rink (NSR), where the effect of superfluid fluctuations is included within the Gaussian level. As a result, the NSR-GRPA formalism can be used to study collective modes in the BCS-BEC crossover region in a manner which is consistent with Kohn's theorem. We also include the effect of a Feshbach resonance and a condensate of the associated molecular bound states. A detailed discussion is given of the unusual nature of the Kohn mode eigenfunctions in a Fermi superfluid, in the presence and absence of a Feshbach resonance. When the molecular bosons feel a different trap frequency from the Fermi atoms, the dipole frequency is shown to depend on the strength of effective interaction associated with the Feshbach resonance.« less

Inhomogeneous Weyl and Dirac Semimetals: Transport in Axial Magnetic Fields and Fermi Arc Surface States from Pseudo-Landau Levels

NASA Astrophysics Data System (ADS)

Grushin, Adolfo G.; Venderbos, Jörn W. F.; Vishwanath, Ashvin; Ilan, Roni

2016-10-01

Topological Dirac and Weyl semimetals have an energy spectrum that hosts Weyl nodes appearing in pairs of opposite chirality. Topological stability is ensured when the nodes are separated in momentum space and unique spectral and transport properties follow. In this work, we study the effect of a space-dependent Weyl node separation, which we interpret as an emergent background axial-vector potential, on the electromagnetic response and the energy spectrum of Weyl and Dirac semimetals. This situation can arise in the solid state either from inhomogeneous strain or nonuniform magnetization and can also be engineered in cold atomic systems. Using a semiclassical approach, we show that the resulting axial magnetic field B5 is observable through an enhancement of the conductivity as σ ˜B52 due to an underlying chiral pseudomagnetic effect. We then use two lattice models to analyze the effect of B5 on the spectral properties of topological semimetals. We describe the emergent pseudo-Landau-level structure for different spatial profiles of B5, revealing that (i) the celebrated surface states of Weyl semimetals, the Fermi arcs, can be reinterpreted as n =0 pseudo-Landau levels resulting from a B5 confined to the surface, (ii) as a consequence of position-momentum locking, a bulk B5 creates pseudo-Landau levels interpolating in real space between Fermi arcs at opposite surfaces, and (iii) there are equilibrium bound currents proportional to B5 that average to zero over the sample, which are the analogs of bound currents in magnetic materials. We conclude by discussing how our findings can be probed experimentally.

Fermi-LAT detection of ongoing gamma-ray activity from the new gamma-ray source Fermi J1654-1055 (PMN J1632-1052)

NASA Astrophysics Data System (ADS)

Kocevski, D.; Ajello, M.; Buson, S.; Buehler, R.; Giomi, M.

2016-02-01

During the week between February 8 and 15, 2016, the Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, observed gamma-ray activity from a new transient source, Fermi J1654-1055.

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

Hartstein, M.; Toews, W. H.; Hsu, Y. -T.

The search for a Fermi surface in the absence of a conventional Fermi liquid has thus far yielded very few potential candidates. Among promising materials are spin-frustrated Mott insulators near the insulator–metal transition, where theory predicts a Fermi surface associated with neutral low-energy excitations. In this paper, we reveal another route to experimentally realize a Fermi surface in the absence of a Fermi liquid by the experimental study of a Kondo insulator SmB 6 positioned close to the insulator–metal transition. We present experimental signatures down to low temperatures (<<1 K) associated with a Fermi surface in the bulk, including amore » sizeable linear specific heat coefficient, and on the application of a finite magnetic field, bulk magnetic quantum oscillations, finite quantum oscillatory entropy, and substantial enhancement in thermal conductivity well below the charge gap energy scale. Finally, the weight of evidence indicates that despite an extreme instance of Fermi liquid breakdown in Kondo insulating SmB 6, a Fermi surface arises from novel itinerant low-energy excitations that couple to magnetic fields, but not weak DC electric fields.« less

Recent Developments in Non-Fermi Liquid Theory

NASA Astrophysics Data System (ADS)

Lee, Sung-Sik

2018-03-01

Non-Fermi liquids are unconventional metals whose physical properties deviate qualitatively from those of noninteracting fermions due to strong quantum fluctuations near Fermi surfaces. They arise when metals are subject to singular interactions mediated by soft collective modes. In the absence of well-defined quasiparticles, universal physics of non-Fermi liquids is captured by interacting field theories which replace Landau Fermi liquid theory. However, it has been difficult to understand their universal low-energy physics due to a lack of theoretical methods that take into account strong quantum fluctuations in the presence of abundant low-energy degrees of freedom. In this review, we discuss two approaches that have been recently developed for non-Fermi liquid theory with emphasis on two space dimensions. The first is a perturbative scheme based on a dimensional regularization, which achieves a controlled access to the low-energy physics by tuning the codimension of Fermi surface. The second is a nonperturbative approach which treats the interaction ahead of the kinetic term through a non-Gaussian scaling called interaction-driven scaling. Examples of strongly coupled non-Fermi liquids amenable to exact treatments through the interaction-driven scaling are discussed.

Dimensional crossover and thermoelectric properties in CeTe2-xSbx single crystals

NASA Astrophysics Data System (ADS)

Rhyee, Jong-Soo; Lee, Kyung Eun; Nyeong Kim, Jae; Shim, Ji Hoon; Min, Byeong Hun; Kwon, Yong Seung

2013-03-01

Several years before, we proposed that the charge density wave is a new pathway for high thermoelectric performance in In4Se3-x bulk crystalline materials. (Nature v.459, p. 965, 2009) Recently, from the increase of the chemical potential by halogen doped In4Se3-xH0.03 (H =Halogen elements) crystals, we achieved high ZT (maximum ZT 1.53) over a wide temperature range. (Adv. Mater. v.23, p.2191, 2011) Here we demonstrate the low dimensionality increases power factor in CeTe2-xSbx single crystals. The band structures of CeTe2 show the 2-dimensional (2D) Fermi surface nesting behavior as well as a 3-dimensional (3D) electron Fermi surface hindering the perfect charge density wave (CDW) gap opening. By hole doping with the substitution of Sb at the Te-site, the 3D-like Fermi surface disappears and the 2D perfect CDW gap opening enhances the power factor up to x = 0.1. With further hole doping, the Fermi surfaces become 3-dimensional structure with heavy hole bands. The enhancement of the power factor is observed near the dimensional crossover of CDW, at x = 0.1, where the CDW gap is maximized. This research was supported by Basic Science Research Program (2011-0021335), Mid-career Research Program (Strategy) (No. 2012R1A2A1A03005174) through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology, and TJ Park Junior Faculty Fellowship funded by the POSCO TJ Park Foundation.

Pseudogap-generated a coexistence of Fermi arcs and Fermi pockets in cuprate superconductors

NASA Astrophysics Data System (ADS)

Zhao, Huaisong; Gao, Deheng; Feng, Shiping

2017-03-01

One of the most intriguing puzzle is why there is a coexistence of Fermi arcs and Fermi pockets in the pseudogap phase of cuprate superconductors? This puzzle is calling for an explanation. Based on the t - J model in the fermion-spin representation, the coexistence of the Fermi arcs and Fermi pockets in cuprate superconductors is studied by taking into account the pseudogap effect. It is shown that the pseudogap induces an energy band splitting, and then the poles of the electron Green's function at zero energy form two contours in momentum space, however, the electron spectral weight on these two contours around the antinodal region is gapped out by the pseudogap, leaving behind the low-energy electron spectral weight only located at the disconnected segments around the nodal region. In particular, the tips of these disconnected segments converge on the hot spots to form the closed Fermi pockets, generating a coexistence of the Fermi arcs and Fermi pockets. Moreover, the single-particle coherent weight is directly related to the pseudogap, and grows linearly with doping. The calculated result of the overall dispersion of the electron excitations is in qualitative agreement with the experimental data. The theory also predicts that the pseudogap-induced peak-dip-hump structure in the electron spectrum is absent from the hot-spot directions.

3D Quantum Hall Effect of Fermi Arc in Topological Semimetals

NASA Astrophysics Data System (ADS)

Wang, C. M.; Sun, Hai-Peng; Lu, Hai-Zhou; Xie, X. C.

2017-09-01

The quantum Hall effect is usually observed in 2D systems. We show that the Fermi arcs can give rise to a distinctive 3D quantum Hall effect in topological semimetals. Because of the topological constraint, the Fermi arc at a single surface has an open Fermi surface, which cannot host the quantum Hall effect. Via a "wormhole" tunneling assisted by the Weyl nodes, the Fermi arcs at opposite surfaces can form a complete Fermi loop and support the quantum Hall effect. The edge states of the Fermi arcs show a unique 3D distribution, giving an example of (d -2 )-dimensional boundary states. This is distinctly different from the surface-state quantum Hall effect from a single surface of topological insulator. As the Fermi energy sweeps through the Weyl nodes, the sheet Hall conductivity evolves from the 1 /B dependence to quantized plateaus at the Weyl nodes. This behavior can be realized by tuning gate voltages in a slab of topological semimetal, such as the TaAs family, Cd3 As2 , or Na3Bi . This work will be instructive not only for searching transport signatures of the Fermi arcs but also for exploring novel electron gases in other topological phases of matter.

The Latest Space-Borne Observations of TGFs from Fermi-GBM

NASA Technical Reports Server (NTRS)

Fishman, Gerald J.

2010-01-01

The Gamma-ray Burst Monitor (GBM) on the Fermi Gamma-ray Space Telescope Observatory (Fermi) is detecting about two TGFs per week. This rate has increased by a factor of approx.eight since launch when flight software was uploaded to the spacecraft in November 2009 in order to increase the sensitivity of GBM to TGFs. Weaker, un-triggered TGFs are now also being observed about once per day over selected low-latitude regions Americas. The high efficiency and time resolution (2 s) of GBM allows temporal features to be resolved so that some insight may be gained on the origin and transport of the gamma-ray photons through the atmosphere. TGFs are observed to be shorter than previously thought, with an average duration of approx.100 micro-s. The absolute times of TGFs are known to approx.10 micro-s, allowing accurate correlations of TGFs with lightning networks and other lightning-related phenomena. The events are observed in the thick bismuth germanate (BGO) scintillation detectors of GBM with photon energies above 40 MeV. Other new results on the temporal and spectral characteristics of TGFs will be presented, along with properties of several electron-positron TGF events that have been identified.

3FHL: The Third Catalog of Hard Fermi -LAT Sources

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

Ajello, M.; Atwood, W. B.; Baldini, L.

Here, we present a catalog of sources detected above 10 GeV by the Fermi Large Area Telescope (LAT) in the first 7 years of data using the Pass 8 event-level analysis. This is the Third Catalog of Hard Fermi-LAT Sources (3FHL), containing 1556 objects characterized in the 10 GeV–2 TeV energy range. The sensitivity and angular resolution are improved by factors of 3 and 2 relative to the previous LAT catalog at the same energies (1FHL). The vast majority of detected sources (79%) are associated with extragalactic counterparts at other wavelengths, including 16 sources located at very high redshift (zmore » > 2). Of the sources, 8% have Galactic counterparts and 13% are unassociated (or associated with a source of unknown nature). The high-latitude sky and the Galactic plane are observed with a flux sensitivity of 4.4 to 9.5 × 10 -11 ph cm -2 s -1, respectively (this is approximately 0.5% and 1% of the Crab Nebula flux above 10 GeV). The catalog includes 214 new γ-ray sources. The substantial increase in the number of photons (more than 4 times relative to 1FHL and 10 times to 2FHL) also allows us to measure significant spectral curvature for 32 sources and find flux variability for 163 of them. We also estimate that for the same flux limit of 10 -12 erg cm -2 s -1, the energy range above 10 GeV has twice as many sources as the range above 50 GeV, highlighting the importance, for future Cherenkov telescopes, of lowering the energy threshold as much as possible.« less

3FHL: The Third Catalog of Hard Fermi -LAT Sources

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

Ajello, M.; Atwood, W. B.; Baldini, L.

We present a catalog of sources detected above 10 GeV by the Fermi Large Area Telescope (LAT) in the first 7 years of data using the Pass 8 event-level analysis. This is the Third Catalog of Hard Fermi -LAT Sources (3FHL), containing 1556 objects characterized in the 10 GeV–2 TeV energy range. The sensitivity and angular resolution are improved by factors of 3 and 2 relative to the previous LAT catalog at the same energies (1FHL). The vast majority of detected sources (79%) are associated with extragalactic counterparts at other wavelengths, including 16 sources located at very high redshift (more » z > 2). Of the sources, 8% have Galactic counterparts and 13% are unassociated (or associated with a source of unknown nature). The high-latitude sky and the Galactic plane are observed with a flux sensitivity of 4.4 to 9.5 × 10{sup −11} ph cm{sup −2} s{sup −1}, respectively (this is approximately 0.5% and 1% of the Crab Nebula flux above 10 GeV). The catalog includes 214 new γ -ray sources. The substantial increase in the number of photons (more than 4 times relative to 1FHL and 10 times to 2FHL) also allows us to measure significant spectral curvature for 32 sources and find flux variability for 163 of them. Furthermore, we estimate that for the same flux limit of 10{sup −12} erg cm{sup −2} s{sup −1}, the energy range above 10 GeV has twice as many sources as the range above 50 GeV, highlighting the importance, for future Cherenkov telescopes, of lowering the energy threshold as much as possible.« less

3FHL: The Third Catalog of Hard Fermi-LAT Sources

NASA Astrophysics Data System (ADS)

Ajello, M.; Atwood, W. B.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bellazzini, R.; Bissaldi, E.; Blandford, R. D.; Bloom, E. D.; Bonino, R.; Bregeon, J.; Britto, R. J.; Bruel, P.; Buehler, R.; Buson, S.; Cameron, R. A.; Caputo, R.; Caragiulo, M.; Caraveo, P. A.; Cavazzuti, E.; Cecchi, C.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiaro, G.; Ciprini, S.; Cohen, J. M.; Costantin, D.; Costanza, F.; Cuoco, A.; Cutini, S.; D'Ammando, F.; de Palma, F.; Desiante, R.; Digel, S. W.; Di Lalla, N.; Di Mauro, M.; Di Venere, L.; Domínguez, A.; Drell, P. S.; Dumora, D.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Fortin, P.; Franckowiak, A.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Green, D.; Grenier, I. A.; Grondin, M.-H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Harding, A. K.; Hays, E.; Hewitt, J. W.; Horan, D.; Jóhannesson, G.; Kensei, S.; Kuss, M.; La Mura, G.; Larsson, S.; Latronico, L.; Lemoine-Goumard, M.; Li, J.; Longo, F.; Loparco, F.; Lott, B.; Lubrano, P.; Magill, J. D.; Maldera, S.; Manfreda, A.; Mazziotta, M. N.; McEnery, J. E.; Meyer, M.; Michelson, P. F.; Mirabal, N.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Negro, M.; Nuss, E.; Ohsugi, T.; Omodei, N.; Orienti, M.; Orlando, E.; Palatiello, M.; Paliya, V. S.; Paneque, D.; Perkins, J. S.; Persic, M.; Pesce-Rollins, M.; Piron, F.; Porter, T. A.; Principe, G.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Reimer, O.; Reposeur, T.; Saz Parkinson, P. M.; Sgrò, C.; Simone, D.; Siskind, E. J.; Spada, F.; Spandre, G.; Spinelli, P.; Stawarz, L.; Suson, D. J.; Takahashi, M.; Tak, D.; Thayer, J. G.; Thayer, J. B.; Thompson, D. J.; Torres, D. F.; Torresi, E.; Troja, E.; Vianello, G.; Wood, K.; Wood, M.

2017-10-01

We present a catalog of sources detected above 10 GeV by the Fermi Large Area Telescope (LAT) in the first 7 years of data using the Pass 8 event-level analysis. This is the Third Catalog of Hard Fermi-LAT Sources (3FHL), containing 1556 objects characterized in the 10 GeV-2 TeV energy range. The sensitivity and angular resolution are improved by factors of 3 and 2 relative to the previous LAT catalog at the same energies (1FHL). The vast majority of detected sources (79%) are associated with extragalactic counterparts at other wavelengths, including 16 sources located at very high redshift (z > 2). Of the sources, 8% have Galactic counterparts and 13% are unassociated (or associated with a source of unknown nature). The high-latitude sky and the Galactic plane are observed with a flux sensitivity of 4.4 to 9.5 × 10-11 ph cm-2 s-1, respectively (this is approximately 0.5% and 1% of the Crab Nebula flux above 10 GeV). The catalog includes 214 new γ-ray sources. The substantial increase in the number of photons (more than 4 times relative to 1FHL and 10 times to 2FHL) also allows us to measure significant spectral curvature for 32 sources and find flux variability for 163 of them. Furthermore, we estimate that for the same flux limit of 10-12 erg cm-2 s-1, the energy range above 10 GeV has twice as many sources as the range above 50 GeV, highlighting the importance, for future Cherenkov telescopes, of lowering the energy threshold as much as possible.

Fermi-LAT observations of the 2014 May-July outburst from 3C 454.3

DOE PAGES

Britto, Richard J.; Bottacini, Eugenio; Lott, Benoît; ...

2016-10-19

We observed a prominent outburst of the flat spectrum radio quasar 3C 454.3 in 2014 June with the Fermi Large Area Telescope. This outburst was characterized by a three-stage light-curve pattern—plateau, flare, and post-flare—that occurred from 2014 May to July, in a similar pattern as observed during the exceptional outburst in 2010 November. The highest flux of the outburst reported in this paper occurred during 2014 June 7–29, showing a multiple-peak structure in the light-curves. The average flux in these 22 days was found to bemore » $$F[E\\gt 100\\,\\mathrm{MeV}]=(7.2\\pm 0.2)\\times {10}^{-6}$$ ph cm -2 s -1, with a spectral index, for a simple power law, of $${\\rm{\\Gamma }}=2.04\\pm 0.01$$. That made this outburst the first γ-ray high state of 3C 454.3 ever to be detected by Fermi with such a hard spectrum over several days. The highest flux was recorded on 2014 June 15, in a 3 hr bin, at MJD 56823.5625, at a level of $$F[E\\gt 100\\,\\mathrm{MeV}]=(17.6\\pm 1.9)\\times {10}^{-6}$$ ph cm -2 s -1. Furthermore, the rise time of one of the short subflares was found to be $${T}_{r}=1200\\pm 700$$ s at MJD = 56827, when the flux increased from 4 to 12 × 10 -6 ph cm -2 s -1. Finally, we collected several photons above 20 GeV during this outburst, including one at 45 GeV on MJD 56827, constraining the γ-ray emission region to be located close to the outer boundary of the broad-line region, leading to fast flux variability.« less

3FHL: The Third Catalog of Hard Fermi -LAT Sources

DOE PAGES

Ajello, M.; Atwood, W. B.; Baldini, L.; ...

2017-09-27

Here, we present a catalog of sources detected above 10 GeV by the Fermi Large Area Telescope (LAT) in the first 7 years of data using the Pass 8 event-level analysis. This is the Third Catalog of Hard Fermi-LAT Sources (3FHL), containing 1556 objects characterized in the 10 GeV–2 TeV energy range. The sensitivity and angular resolution are improved by factors of 3 and 2 relative to the previous LAT catalog at the same energies (1FHL). The vast majority of detected sources (79%) are associated with extragalactic counterparts at other wavelengths, including 16 sources located at very high redshift (zmore » > 2). Of the sources, 8% have Galactic counterparts and 13% are unassociated (or associated with a source of unknown nature). The high-latitude sky and the Galactic plane are observed with a flux sensitivity of 4.4 to 9.5 × 10 -11 ph cm -2 s -1, respectively (this is approximately 0.5% and 1% of the Crab Nebula flux above 10 GeV). The catalog includes 214 new γ-ray sources. The substantial increase in the number of photons (more than 4 times relative to 1FHL and 10 times to 2FHL) also allows us to measure significant spectral curvature for 32 sources and find flux variability for 163 of them. We also estimate that for the same flux limit of 10 -12 erg cm -2 s -1, the energy range above 10 GeV has twice as many sources as the range above 50 GeV, highlighting the importance, for future Cherenkov telescopes, of lowering the energy threshold as much as possible.« less

The third catalog of active galactic nuclei detected by the Fermi large area telescope

DOE PAGES

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

2015-08-25

We present the third catalog of active galactic nuclei (AGNs) detected by the Fermi-LAT (3LAC). It is based on the third Fermi-LAT catalog (3FGL) of sources detected between 100 MeV and 300 GeV with a Test Statistic greater than 25, between 2008 August 4 and 2012 July 31. The 3LAC includes 1591 AGNs located at high Galactic latitudes (more » $$| b| \\gt 10^\\circ $$), a 71% increase over the second catalog based on 2 years of data. There are 28 duplicate associations, thus 1563 of the 2192 high-latitude gamma-ray sources of the 3FGL catalog are AGNs. Most of them (98%) are blazars. About half of the newly detected blazars are of unknown type, i.e., they lack spectroscopic information of sufficient quality to determine the strength of their emission lines. Based on their gamma-ray spectral properties, these sources are evenly split between flat-spectrum radio quasars (FSRQs) and BL Lacs. The most abundant detected BL Lacs are of the high-synchrotron-peaked (HSP) type. There were about 50% of the BL Lacs that had no measured redshifts. A few new rare outliers (HSP-FSRQs and high-luminosity HSP BL Lacs) are reported. The general properties of the 3LAC sample confirm previous findings from earlier catalogs. The fraction of 3LAC blazars in the total population of blazars listed in BZCAT remains non-negligible even at the faint ends of the BZCAT-blazar radio, optical, and X-ray flux distributions, which hints that even the faintest known blazars could eventually shine in gamma-rays at LAT-detection levels. Furthermore, the energy-flux distributions of the different blazar populations are in good agreement with extrapolation from earlier catalogs.« less

Ac electronic tunneling at optical frequencies

NASA Technical Reports Server (NTRS)

Faris, S. M.; Fan, B.; Gustafson, T. K.

1974-01-01

Rectification characteristics of non-superconducting metal-barrier-metal junctions deduced from electronic tunneling have been observed experimentally for optical frequency irradiation of the junction. The results provide verification of optical frequency Fermi level modulation and electronic tunneling current modulation.

Density-of-state oscillation of quasiparticle excitation in the spin density wave phase of (TMTSF)2ClO4.

PubMed

Uji, S; Kimata, M; Moriyama, S; Yamada, J; Graf, D; Brooks, J S

2010-12-31

Systematic measurements of the magnetocaloric effect, heat capacity, and magnetic torque under a high magnetic field up to 35 T are performed in the spin density wave (SDW) phase of a quasi-one-dimensional organic conductor (TMTSF)2ClO4. In the SDW phase above 26 T, where the quantum Hall effect is broken, rapid oscillations (ROs) in these thermodynamic quantities are observed, which provides clear evidence of the density-of-state (DOS) oscillation near the Fermi level. The resistance is semiconducting and the heat capacity divided by temperature is extrapolated to zero at 0 K in the SDW phase, showing that all the energy bands are gapped, and there is no DOS at the Fermi level. The results show that the ROs are ascribed to the DOS oscillation of the quasiparticle excitation.

Electronic and magnetic properties of epitaxial perovskite SrCrO3(001)

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

Zhang, Hongliang; Du, Yingge; Sushko, Petr

2015-06-24

We have investigated the intrinsic properties of SrCrO3 epitaxial thin films synthesized by molecular beam epitaxy. We find compelling evidence that SrCrO3 is a correlated metal. X-ray photoemission valence band and O K-edge x-ray absorption spectra indicate a strongly hybridized Cr3d-O2p state crossing the Fermi level, leading to metallic behavior. Comparison between valence band spectra near the Fermi level and the densities of states calculated using density functional theory (DFT) also suggests the presence of coherent and incoherent states and points to a strong electron-electron correlation effects. The magnetic susceptibility can be described by Pauli paramagnetism at temperatures above 100more » K, but reveals antiferromagnetic behavior at lower temperatures resulting from orbital ordering as suggested by Ortega-San-Martin et al. [Phys. Rev. Lett. 99, 255701 (2007)].« less

Van der Waals metal-semiconductor junction: Weak Fermi level pinning enables effective tuning of Schottky barrier

PubMed Central

Liu, Yuanyue; Stradins, Paul; Wei, Su-Huai

2016-01-01

Two-dimensional (2D) semiconductors have shown great potential for electronic and optoelectronic applications. However, their development is limited by a large Schottky barrier (SB) at the metal-semiconductor junction (MSJ), which is difficult to tune by using conventional metals because of the effect of strong Fermi level pinning (FLP). We show that this problem can be overcome by using 2D metals, which are bounded with 2D semiconductors through van der Waals (vdW) interactions. This success relies on a weak FLP at the vdW MSJ, which is attributed to the suppression of metal-induced gap states. Consequently, the SB becomes tunable and can vanish with proper 2D metals (for example, H-NbS2). This work not only offers new insights into the fundamental properties of heterojunctions but also uncovers the great potential of 2D metals for device applications. PMID:27152360

Electronic and spin structure of the wide-band-gap topological insulator: Nearly stoichiometric Bi2Te2S

NASA Astrophysics Data System (ADS)

Annese, E.; Okuda, T.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Natamane, M.; Taniguchi, M.; Rusinov, I. P.; Eremeev, S. V.; Kokh, K. A.; Golyashov, V. A.; Tereshchenko, O. E.; Chulkov, E. V.; Kimura, A.

2018-05-01

We have grown the phase-homogeneous ternary compound with composition Bi2Te1.85S1.15 very close to the stoichiometric Bi2Te2S . The measurements performed with spin- and angle-resolved photoelectron spectroscopy as well as density functional theory and G W calculations revealed a wide-band-gap three-dimensional topological insulator phase. The surface electronic spectrum is characterized by the topological surface state (TSS) with Dirac point located above the valence band and Fermi level lying in the band gap. TSS band dispersion and constant energy contour manifest a weak warping effect near the Fermi level along with in-plane and out-of-plane spin polarization along the Γ ¯-K ¯ line. We identified four additional states at deeper binding energies with high in-plane spin polarization.

Observation of a Pseudogap in the Vicinity of the Metal-Insulator Transition in the Perovskite-type Vanadium Oxides Nd1-xSrxVO3

NASA Astrophysics Data System (ADS)

Yamamoto, Shintaro; Ootsuki, Daiki; Shimonaka, Daiya; Shibata, Daisuke; Kodera, Kenjiro; Okawa, Mario; Saitoh, Tomohiko; Horio, Masafumi; Fujimori, Atsushi; Kumigashira, Hiroshi; Ono, Kanta; Ikenaga, Eiji; Miyasaka, Shigeki; Tajima, Setsuko; Yoshida, Teppei

2018-02-01

We have performed a photoemission study of the Mott-Hubbard system Nd1-xSrxVO3 (x = 0.20 and 0.30) to investigate the electronic structure in the vicinity of the metal-insulator transition. By using bulk sensitive hard X-ray photoemission spectroscopy, we have observed a large coherent spectral weight near the Fermi level compared to those observed with surface-sensitive low photons. In particular, a pseudogap with an energy of ˜0.2 eV has been observed near the Fermi level, which is consistent with a prediction with a dynamical cluster approximation calculation. In order to understand the characteristic features in the Mott-Hubbard-type metal-insulator transition, particularly the pseudogap opening at x = 0.2 and 0.3, a phenomenological model of the self-energy has been proposed.

The role of rare-earth dopants in tailoring the magnetism and magnetic anisotropy in Fe4N

NASA Astrophysics Data System (ADS)

Li, Zirun; Mi, Wenbo; Bai, Haili

2018-05-01

The magnetism and magnetic anisotropy of the rare-earth (RE) atom-substituted Fe4N are investigated by first-principles calculations. It is found that the substitution of one RE atom results in an antiferromagnetic coupling with the Fe atoms. The 4f-3d exchange interaction has an important influence on the density of states of Fe near the Fermi level. PrFe3N and NdFe3N with a tetragonal structure exhibit giant magnetic anisotropy energy larger than 5 meV/atom. The magnetic anisotropy depends on the distribution of partial states of d or f orbital near the Fermi level. As Eu substitutes Fe in Fe4N, the magnetic moment of Eu3FeN even exceeds 23 μB. Our theoretical predictions point out the possibilities of tuning the magnetism and magnetic anisotropy of Fe4N upon RE doping.

Van der Waals metal-semiconductor junction: Weak Fermi level pinning enables effective tuning of Schottky barrier

DOE PAGES

Liu, Yuanyue; Stradins, Paul; Wei, Su -Huai

2016-04-22

Two-dimensional (2D) semiconductors have shown great potential for electronic and optoelectronic applications. However, their development is limited by a large Schottky barrier (SB) at the metal-semiconductor junction (MSJ), which is difficult to tune by using conventional metals because of the effect of strong Fermi level pinning (FLP). We show that this problem can be overcome by using 2D metals, which are bounded with 2D semiconductors through van der Waals (vdW) interactions. This success relies on a weak FLP at the vdW MSJ, which is attributed to the suppression of metal-induced gap states. Consequently, the SB becomes tunable and can vanishmore » with proper 2D metals (for example, H-NbS2). This work not only offers new insights into the fundamental properties of heterojunctions but also uncovers the great potential of 2D metals for device applications.« less

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.

Studies on electronic structure of interfaces between Ag and gelatin for stabilization of Ag nanoparticles

NASA Astrophysics Data System (ADS)

Tani, Tadaaki; Uchida, Takayuki

2015-06-01

Extremely high stability of Ag nanoparticles in photographic materials has forced us to study the electronic structures of the interfaces between thin layers of Ag, Au, and Pt and their surface membranes in ambient atmosphere by photoelectron yield spectroscopy in air and Kelvin probe method. Owing to the Fermi level equalization between a metal layer and a membrane coming from air, the electron transfer took place from the membrane to Pt and Au layers and from an Ag layer to the membrane, giving the reason for poor stability of Ag nanoparticles in air. The control of the Fermi level of an Ag layer with respect to that of a gelatin membrane in air could be widely made according to Nernst’s equation by changing the pH and pAg values of an aqueous gelatin solution used to form the membrane, and thus available to stabilize Ag nanoparticles in a gelatin matrix.

Topological Nodal-Net Semimetal in a Graphene Network Structure

NASA Astrophysics Data System (ADS)

Wang, Jian-Tao; Nie, Simin; Weng, Hongming; Kawazoe, Yoshiyuki; Chen, Changfeng

2018-01-01

Topological semimetals are characterized by the nodal points in their electronic structure near the Fermi level, either discrete or forming a continuous line or ring, which are responsible for exotic properties related to the topology of bulk bands. Here we identify by ab initio calculations a distinct topological semimetal that exhibits nodal nets comprising multiple interconnected nodal lines in bulk and have two coupled drumheadlike flat bands around the Fermi level on its surface. This nodal net semimetal state is proposed to be realized in a graphene network structure that can be constructed by inserting a benzene ring into each C- C bond in the bct-C4 lattice or by a crystalline modification of the (5,5) carbon nanotube. These results expand the realm of nodal manifolds in topological semimetals, offering a new platform for exploring novel physics in these fascinating materials.

Novel Electronic Structures of Ru-pnictides RuPn (Pn = P, As, Sb)

NASA Astrophysics Data System (ADS)

Goto, H.; Toriyama, T.; Konishi, T.; Ohta, Y.

Density-functional-theory-based electronic structure calculations are made to consider the novel electronic states of Ru-pnictides RuP and RuAs where the intriguing phase transitions and superconductivity under doping of Rh have been reported. We find that there appear nearly degenerate flat bands just at the Fermi level in the high-temperature metallic phase of RuP and RuAs; the flat-band states come mainly from the 4dxy orbitals of Ru ions and the Rh doping shifts the Fermi level just above the flat bands. The splitting of the flat bands caused by their electronic instability may then be responsible for the observed phase transition to the nonmagnetic insulating phase at low temperatures. We also find that the band structure calculated for RuSb resembles that of the doped RuP and RuAs, which is consistent with experiment where superconductivity occurs in RuSb without Rh doping.

Bias-induced modulation of ultrafast carrier dynamics in metallic single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Maekawa, Keisuke; Yanagi, Kazuhiro; Minami, Yasuo; Kitajima, Masahiro; Katayama, Ikufumi; Takeda, Jun

2018-02-01

The gate bias dependence of excited-state relaxation dynamics in metallic single-walled carbon nanotubes (MCNTs) was investigated using pump-probe transient absorption spectroscopy coupled with electrochemical doping through an ionic liquid. The transient transmittance decayed exponentially with the pump-probe delay time, whose value could be tuned via the Fermi-level modulation of Dirac electrons under a bias voltage. The obtained relaxation time was the shortest when the Fermi level was at the Dirac point of the MCNTs, and exhibited a U-shaped dependence on the bias voltage. Because optical dipole transitions between the Dirac bands are forbidden in MCNTs, the observed dynamics were attributed to carrier relaxation from the E11 band to the Dirac band. Using a model that considers the suppression of electron-electron scattering (impact ionization) due to Pauli blocking, we could qualitatively explain the obtained bias dependence of the relaxation time.

Heavy fermion behavior in the quasi-one-dimensional Kondo lattice CeCo 2Ga 8

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

Wang, Le; Fu, Zhaoming; Sun, Jianping

Dimensionality plays an essential role in determining the anomalous non-Fermi liquid properties in heavy fermion systems. So far most heavy fermion compounds are quasi-two-dimensional or three-dimensional. Here we report the synthesis and systematic investigations of the single crystals of the quasi-one-dimensional Kondo lattice CeCo 2Ga 8. Resistivity measurements at ambient pressure reveal the onset of coherence at T * ≈ 20 K and non-Fermi liquid behavior with linear temperature dependence over a decade in temperature from 2 to 0.1 K. The specific heat increases logarithmically with lowering temperature between 10 and 2 K and reaches 800 mJ/mol K 2 atmore » 1 K, suggesting that CeCo 2Ga 8 is a heavy fermion compound in the close vicinity of a quantum critical point. Resistivity measurements under pressure further confirm the non-Fermi liquid behavior in a large temperature–pressure range. The magnetic susceptibility is found to follow the typical behavior for a one-dimensional spin chain from 300 K down to T *, and first-principles calculations predict flat Fermi surfaces for the itinerant f-electron bands. These suggest that CeCo 2Ga 8 is a rare example of the quasi-one-dimensional Kondo lattice, but its non-Fermi liquid behaviors resemble those of the quasi-two-dimensional YbRh 2Si 2 family. The study of the quasi-one-dimensional CeCo 2Ga 8 family may therefore help us to understand the role of dimensionality on heavy fermion physics and quantum criticality.« less

BL Lacertae Objects Beyond Redshift 1.3 - UV-to-NIR Photometry and Photometric Redshift for Fermi/LAT Blazars

NASA Technical Reports Server (NTRS)

Rau, A.; Schady, P.; Greiner, J.; Salvato, M.; Ajello, M.; Bottacini, E.; Gehrels, N.; Afonso, P. M. J.; Elliott, J.; Filgas, R.;

Heavy fermion behavior in the quasi-one-dimensional Kondo lattice CeCo2Ga8

NASA Astrophysics Data System (ADS)

Wang, Le; Fu, Zhaoming; Sun, Jianping; Liu, Min; Yi, Wei; Yi, Changjiang; Luo, Yongkang; Dai, Yaomin; Liu, Guangtong; Matsushita, Yoshitaka; Yamaura, Kazunari; Lu, Li; Cheng, Jin-Guang; Yang, Yi-feng; Shi, Youguo; Luo, Jianlin

2017-07-01

Dimensionality plays an essential role in determining the anomalous non-Fermi liquid properties in heavy fermion systems. So far most heavy fermion compounds are quasi-two-dimensional or three-dimensional. Here we report the synthesis and systematic investigations of the single crystals of the quasi-one-dimensional Kondo lattice CeCo2Ga8. Resistivity measurements at ambient pressure reveal the onset of coherence at T * ≈ 20 K and non-Fermi liquid behavior with linear temperature dependence over a decade in temperature from 2 to 0.1 K. The specific heat increases logarithmically with lowering temperature between 10 and 2 K and reaches 800 mJ/mol K2 at 1 K, suggesting that CeCo2Ga8 is a heavy fermion compound in the close vicinity of a quantum critical point. Resistivity measurements under pressure further confirm the non-Fermi liquid behavior in a large temperature-pressure range. The magnetic susceptibility is found to follow the typical behavior for a one-dimensional spin chain from 300 K down to T *, and first-principles calculations predict flat Fermi surfaces for the itinerant f-electron bands. These suggest that CeCo2Ga8 is a rare example of the quasi-one-dimensional Kondo lattice, but its non-Fermi liquid behaviors resemble those of the quasi-two-dimensional YbRh2Si2 family. The study of the quasi-one-dimensional CeCo2Ga8 family may therefore help us to understand the role of dimensionality on heavy fermion physics and quantum criticality.

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

Heavy fermion behavior in the quasi-one-dimensional Kondo lattice CeCo 2Ga 8

DOE PAGES

Wang, Le; Fu, Zhaoming; Sun, Jianping; ...

2017-07-04

Dimensionality plays an essential role in determining the anomalous non-Fermi liquid properties in heavy fermion systems. So far most heavy fermion compounds are quasi-two-dimensional or three-dimensional. Here we report the synthesis and systematic investigations of the single crystals of the quasi-one-dimensional Kondo lattice CeCo 2Ga 8. Resistivity measurements at ambient pressure reveal the onset of coherence at T * ≈ 20 K and non-Fermi liquid behavior with linear temperature dependence over a decade in temperature from 2 to 0.1 K. The specific heat increases logarithmically with lowering temperature between 10 and 2 K and reaches 800 mJ/mol K 2 atmore » 1 K, suggesting that CeCo 2Ga 8 is a heavy fermion compound in the close vicinity of a quantum critical point. Resistivity measurements under pressure further confirm the non-Fermi liquid behavior in a large temperature–pressure range. The magnetic susceptibility is found to follow the typical behavior for a one-dimensional spin chain from 300 K down to T *, and first-principles calculations predict flat Fermi surfaces for the itinerant f-electron bands. These suggest that CeCo 2Ga 8 is a rare example of the quasi-one-dimensional Kondo lattice, but its non-Fermi liquid behaviors resemble those of the quasi-two-dimensional YbRh 2Si 2 family. The study of the quasi-one-dimensional CeCo 2Ga 8 family may therefore help us to understand the role of dimensionality on heavy fermion physics and quantum criticality.« less

Anisotropic breakdown of Fermi liquid quasiparticle excitations in overdoped La₂-xSrxCuO₄.

PubMed

Chang, J; Månsson, M; Pailhès, S; Claesson, T; Lipscombe, O J; Hayden, S M; Patthey, L; Tjernberg, O; Mesot, J

2013-01-01

High-temperature superconductivity emerges from an un-conventional metallic state. This has stimulated strong efforts to understand exactly how Fermi liquids breakdown and evolve into an un-conventional metal. A fundamental question is how Fermi liquid quasiparticle excitations break down in momentum space. Here we show, using angle-resolved photoemission spectroscopy, that the Fermi liquid quasiparticle excitations of the overdoped superconducting cuprate La1.77Sr0.23CuO4 is highly anisotropic in momentum space. The quasiparticle scattering and residue behave differently along the Fermi surface and hence the Kadowaki-Wood's relation is not obeyed. This kind of Fermi liquid breakdown may apply to a wide range of strongly correlated metal systems where spin fluctuations are present.

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

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

Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang

2015-11-20

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglementmore » of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH 3NH 3PbI 3 as examples, we illustrate these unexpected behaviors. Furthermore, our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.« less

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

Meyer, Eileen T.; Breiding, Peter; Georganopoulos, Markos

The Chandra X-ray observatory has discovered several dozen anomalously X-ray-bright jets associated with powerful quasars. A popular explanation for the X-ray flux from the knots in these jets is that relativistic synchrotron-emitting electrons inverse-Compton scatter cosmic microwave background (CMB) photons to X-ray energies (the IC/CMB model). This model predicts a high gamma-ray flux that should be detectable by the Fermi /Large Area Telescope (LAT) for many sources. GeV-band upper limits from Fermi /LAT for the well-known anomalous X-ray jet in PKS 0637−752 were previously shown in Meyer et al. to violate the predictions of the IC/CMB model. Previously, measurements ofmore » the jet synchrotron spectrum, important for accurately predicting the gamma-ray flux level, were lacking between radio and infrared wavelengths. Here, we present new Atacama Large Millimeter/submillimeter Array (ALMA) observations of the large-scale jet at 100, 233, and 319 GHz, which further constrain the synchrotron spectrum, supporting the previously published empirical model. We also present updated limits from the Fermi /LAT using the new “Pass 8” calibration and approximately 30% more time on source. With these deeper limits, we rule out the IC/CMB model at the 8.7 σ level. Finally, we demonstrate that complete knowledge of the synchrotron SED is critical in evaluating the IC/CMB model.« less

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

NASA Astrophysics Data System (ADS)

Zwierlein, Martin

2017-04-01

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

Doping dependence of charge order in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Mou, Yingping; Feng, Shiping

2017-12-01

In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped cuprate superconductors is investigated based on the t-J model. The experimentally observed momentum dependence of the electron quasiparticle scattering rate is qualitatively reproduced, where the scattering rate is highly anisotropic in momentum space, and is intriguingly related to the charge-order gap. Although the scattering strength appears to be weakest at the hot spots, the scattering in the antinodal region is stronger than that in the nodal region, which leads to the original electron Fermi surface is broken up into the Fermi pockets and their coexistence with the Fermi arcs located around the nodal region. In particular, this electron Fermi surface instability drives the charge-order correlation, with the charge-order wave vector that matches well with the wave vector connecting the hot spots, as the charge-order correlation in the hole-doped counterparts. However, in a striking contrast to the hole-doped case, the charge-order wave vector in the electron-doped side increases in magnitude with the electron doping. The theory also shows the existence of a quantitative link between the single-electron fermiology and the collective response of the electron density.

Efficiency droop in GaN LEDs at high injection levels: Role of hydrogen

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

Bochkareva, N. I.; Sheremet, I. A.; Shreter, Yu. G., E-mail: y.shreter@mail.ioffe.ru

2016-10-15

Point defects in GaN and, in particular, their manifestation in the photoluminescence, optical absorption, and recombination current in light-emitting diodes with InGaN/GaN quantum wells are analyzed. The results of this analysis demonstrate that the wide tail of defect states in the band gap of GaN facilitates the trap-assisted tunneling of thermally activated carriers into the quantum well, but simultaneously leads to a decrease in the nonradiative-recombination lifetime and to an efficiency droop as the quasi-Fermi levels intersect the defect states with increasing forward bias. The results reveal the dominant role of hydrogen in the recombination activity of defects with danglingmore » bonds and in the efficiency of GaN-based devices.« less

Microscopic study of spin cut-off factors of nuclear level densities

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

Gholami, M.; Kildir, M.; Behkami, A. N.

Level densities and spin cut-off factors have been investigated within the microscopic approach based on the BCS Hamiltonian. In particular, the spin cut-off parameters have been calculated at neutron binding energies over a large range of nuclear mass using the BCS theory. The spin cut-off parameters {sigma}{sup 2}(E) have also been obtained from the Gilbert and Cameron expression and from rigid body calculations. The results were compared with their corresponding macroscopic values. It was found that the values of {sigma}{sup 2}(E) did not increase smoothly with A as expected based on macroscopic theory. Instead, the values of {sigma}{sup 2}(E) showmore » structure reflecting the angular momentum of the shell model orbitals near the Fermi energy.« less

Quantum oscillations from the reconstructed Fermi surface in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Higgins, J. S.; Chan, M. K.; Sarkar, Tarapada; McDonald, R. D.; Greene, R. L.; Butch, N. P.

2018-04-01

We have studied the electronic structure of electron-doped cuprate superconductors via measurements of high-field Shubnikov–de Haas oscillations in thin films. In optimally doped Pr2‑x Ce x CuO4±δ and La2‑x Ce x CuO4±δ , quantum oscillations indicate the presence of a small Fermi surface, demonstrating that electronic reconstruction is a general feature of the electron-doped cuprates, despite the location of the superconducting dome at very different doping levels. Negative high-field magnetoresistance is correlated with an anomalous low-temperature change in scattering that modifies the amplitude of quantum oscillations. This behavior is consistent with effects attributed to spin fluctuations.

High-Precision Half-Life Measurements for the Superallowed Fermi β+ Emitters 14O and 18Ne

NASA Astrophysics Data System (ADS)

Laffoley, A. T.; Andreoiu, C.; Austin, R. A. E.; Ball, G. C.; Bender, P. C.; Bidaman, H.; Bildstein, V.; Blank, B.; Bouzomita, H.; Cross, D. S.; Deng, G.; Diaz Varela, A.; Dunlop, M. R.; Dunlop, R.; Finlay, P.; Garnsworthy, A. B.; Garrett, P.; Giovinazzo, J.; Grinyer, G. F.; Grinyer, J.; Hadinia, B.; Jamieson, D. S.; Jigmeddorj, B.; Ketelhut, S.; Kisliuk, D.; Leach, K. G.; Leslie, J. R.; MacLean, A.; Miller, D.; Mills, B.; Moukaddam, M.; Radich, A. J.; Rajabali, M. M.; Rand, E. T.; Svensson, C. E.; Tardiff, E.; Thomas, J. C.; Turko, J.; Voss, P.; Unsworth, C.

High-precision half-life measurements, at the level of ±0.04%, for the superallowed Fermi emitters 14O and 18Ne have been performed at TRIUMF's Isotope Separator and Accelerator facility. Using 3 independent detector systems, a gas-proportional counter, a fast plastic scintillator, and a high-purity germanium array, a series of direct β and γ counting measurements were performed for each of the isotopes. In the case of 14O, these measurements were made to help resolve an existing discrepancy between detection methods, whereas for 18Ne the half-life precision has been improved in anticipation of forthcoming high-precision branching ratio measurements.

Matrix-valued Boltzmann equation for the nonintegrable Hubbard chain.

PubMed

Fürst, Martin L R; Mendl, Christian B; Spohn, Herbert

2013-07-01

The standard Fermi-Hubbard chain becomes nonintegrable by adding to the nearest neighbor hopping additional longer range hopping amplitudes. We assume that the quartic interaction is weak and investigate numerically the dynamics of the chain on the level of the Boltzmann type kinetic equation. Only the spatially homogeneous case is considered. We observe that the huge degeneracy of stationary states in the case of nearest neighbor hopping is lost and the convergence to the thermal Fermi-Dirac distribution is restored. The convergence to equilibrium is exponentially fast. However for small next-nearest neighbor hopping amplitudes one has a rapid relaxation towards the manifold of quasistationary states and slow relaxation to the final equilibrium state.

Effective temperature in relaxation of Coulomb glasses.

PubMed

Somoza, A M; Ortuño, M; Caravaca, M; Pollak, M

2008-08-01

We study relaxation in two-dimensional Coulomb glasses up to macroscopic times. We use a kinetic Monte Carlo algorithm especially designed to escape efficiently from deep valleys around metastable states. We find that, during the relaxation process, the site occupancy follows a Fermi-Dirac distribution with an effective temperature much higher than the real temperature T. Long electron-hole excitations are characterized by T(eff), while short ones are thermalized at T. We argue that the density of states at the Fermi level is proportional to T(eff) and is a good thermometer to measure it. T(eff) decreases extremely slowly, roughly as the inverse of the logarithm of time, and it should affect hopping conductance in many experimental circumstances.

Optical characterization of semi-insulating GaAs - Determination of the Fermi energy, the concentraion of the midgap EL2 level and its occupancy

NASA Technical Reports Server (NTRS)

Lagowski, J.; Bugajski, M.; Matsui, M.; Gatos, H. C.

1987-01-01

The key electronic characteristics of semiinsulating GaAs, i.e., the Fermi energy, concentration, and occupancy of the midgap donor EL2, and the net concentration of ionized acceptors can all be determined from high-resolution measurements of the EL2 intracenter absorption. The procedure is based on the measurement of zero-phonon line intensity before and after the complete transfer of EL2 to its metastable state followed by thermal recovery. The procedure is quantitative, involves no fitting parameters, and unlike existing methods, is applicable even when a significant part of the EL2 is ionized.

Fermi-LAT detection of a gamma-ray flaring source in the vicinity of PKS 0507+17

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Orienti, M.

2013-04-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed an increasing gamma-ray flux from a source positionally consistent with PKS 0507+17 (also known as 2FGL J0509.9+1802, Nolan et al. 2012, ApJS, 199, 31; R.A.= 05h10m02.3691s, Dec.= +18d00m41.582s, J2000.0, Johnston et al. 1995, AJ, 110, 880), a flat spectrum radio quasar at redshift z = 0.416 (Perlman et al.

Fermi-LAT detection of a gamma-ray flare from the high-z blazar PKS 2149-306

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Orienti, M.

2013-01-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed an increasing gamma-ray flux from a source positionally consistent with PKS 2149-306 (also known as 2FGL J2151.5-3021, Nolan et al. 2012, ApJS, 199, 31; R.A.= 21h51m55.5239s, Dec.= -30d27m53.697s, J2000.0, Johnston et al. 1995, AJ, 110, 880), a flat spectrum radio quasar at redshift z = 2.345 (Wilkes 1986, MNRAS, 218, 331).

Fermi LAT detection of a GeV flare from the blazar PKS 0250-225

NASA Astrophysics Data System (ADS)

Dutka, Michael; Ojha, Roopesh

2012-11-01

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 PKS 0250-225 (also known as 2FGL J0252.7-2218, Nolan et al. 2012 ApJS, 199, 31). PKS 0250-225 has the coordinates RA=02h52m47.9536s, DEC=-22d19m25.465s, J2000, (Beasley et al. 2002 ApJS, 141, 13) and redshift z=1.419 (Shaw et al.

Fermi LAT Detection of a GeV Flare from FSRQ PKS 2320-035

NASA Astrophysics Data System (ADS)

Carpenter, Bryce; Ojha, Roopesh

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 PKS 2320-035 (also known as 2FGL J2323.6-0316, Nolan et al. 2012, ApJS, 199, 31). PKS 2320-035 has coordinates RA=23h23m31.9537s DEC=-03d17m05.023s, J2000, (Johnston et al. 1995, AJ, 110, 880) and redshift z=1.41 (Browne et al.

Fermi LAT detection of a new gamma-ray flare from FSRQ PKS 0502+049

NASA Astrophysics Data System (ADS)

Ojha, Roopesh; Dutka, Michael

2013-03-01

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 PKS 0502+049 (also known as 2FGL J0505.5+0501, Nolan et al. 2012 ApJS, 199, 31). PKS 0502+049 has coordinates RA=05h05m23.1847s DEC=+04d59m42.725s, J2000, (Johnston et al. 1995, AJ, 110, 880) and redshift z=0.954 (Drinkwater et al.

Fermi-LAT detection of a GeV gamma-ray flare from the blazar PKS 1313-333

NASA Astrophysics Data System (ADS)

Ciprini, Stefano

2016-01-01

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 PKS 1313-333 (also known as TXS 1313-333, OP -322, 2EG J1314-3430 and 3FGL J1316.0-3338), with radio counterpart position R.A.: 199.033275 deg, Dec.: -33.64977 deg, (J2000.0, Johnston et al. 1995, AJ, 110, 880) and with redshift z=1.210 (Jauncey et al. 1982, AJ, 87, 763).

Superconductivity in gallium-substituted Ba8Si46 clathrates

NASA Astrophysics Data System (ADS)

Li, Yang; Zhang, Ruihong; Liu, Yang; Chen, Ning; Luo, Z. P.; Ma, Xingqiao; Cao, Guohui; Feng, Z. S.; Hu, Chia-Ren; Ross, Joseph H., Jr.

2007-02-01

We report a joint experimental and theoretical investigation of superconductivity in Ga-substituted type-I silicon clathrates. We prepared samples of the general formula Ba8Si46-xGax , with different values of x . We show that Ba8Si40Ga6 is a bulk superconductor, with an onset at TC≈3.3K . For x=10 and higher, no superconductivity was observed down to T=1.8K . This represents a strong suppression of superconductivity with increasing Ga content, compared to Ba8Si46 with TC≈8K . Suppression of superconductivity can be attributed primarily to a decrease in the density of states at the Fermi level, caused by a reduced integrity of the sp3 -hybridized networks as well as the lowering of carrier concentration. These results are corroborated by first-principles calculations, which show that Ga substitution results in a large decrease of the electronic density of states at the Fermi level, which explains the decreased superconducting critical temperature within the BCS framework. To further characterize the superconducting state, we carried out magnetic measurements showing Ba8Si40Ga6 to be a type-II superconductor. The critical magnetic fields were measured to be HC1≈35Oe and HC2≈8.5kOe . We deduce the London penetration depth λ≈3700Å and the coherence length ξc≈200Å . Our estimate of the electron-phonon coupling reveals that Ba8Si40Ga6 is a moderate phonon-mediated BCS superconductor.

FP-LAPW investigation of Al3(Sc1‑xTix) alloys properties in L12 and D022 structures

NASA Astrophysics Data System (ADS)

Khenioui, Youcef; Boulechfar, Rahima; Maazi, Noureddine; Ghemid, Sebti

2018-06-01

The ab-initio calculations based on the density functional theory (DFT) have been performed to study the structural, mechanical, electronic, thermal and thermodynamic properties of Al3Sc and Al3Ti binary compounds and their ternary mixture Al3(Sc1‑xTix) in L12 and D022 structures. The total energy calculations show that the L12 structure is the more stable one. The Al3Sc0.25Ti0.75 undergoes a martensitic transformation and the formation enthalpies and the lattice parameters decrease with increasing concentration x. The elastic constants are determined and the results show that all compounds are mechanically stable and the cubic cells are more easily deformed by shearing than by unidirectional compression. The elastic modulus indicates that the addition of Ti atoms to Al3Sc improves its ductility. The densities of states (DOSs) calculations show the strong spd hybridization which leads to the formation of a pseudo-gap near the Fermi level in ternary alloys. The densities of states at the Fermi level N(EF) confirm the phase stability. The quasi-harmonic Debye model is used to predict the thermal properties such as heat capacity, Debye temperature, Grüneisen parameter and thermal expansion coefficient of the considered alloys. The determination of Gibbs free mixing energy at different concentrations has been used to calculate the T-x diagram.

2D Effective Electron Mass at the Fermi Level in Accumulation and Inversion Layers of MOSFET Nano Devices.

PubMed

Singh, S L; Singh, S B; Ghatak, K P

2018-04-01

In this paper an attempt is made to study the 2D Fermi Level Mass (FLM) in accumulation and inversion layers of nano MOSFET devices made of nonlinear optical, III-V, ternary, Quaternary, II-VI, IV-VI, Ge and stressed materials by formulating 2D carrier dispersion laws on the basis of k → ⋅ p → ⋅ formalism and considering the energy band constants of a particular material. It is observed taking accumulation and inversion layers of Cd3As2, CdGeAs2, InSb, Hg1-xCdxTe and In1-xGaxAsyP1-y lattice matched to InP, CdS, GaSb and Ge as examples that the FLM depends on sub band index for nano MOSFET devices made of Cd3As2 and CdGeAs2 materials which is the characteristic features such 2D systems. Besides, the FLM depends on the scattering potential in all the cases and the same mass changes with increasing surface electric field. The FLM exists in the band gap which is impossible without heavy doping.

Electronic excitations in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Unger, P.; Fulde, P.

1995-04-01

We calculate the electronic single-particle spectrum of an electron-doped cuprate superconductor such as Nd2-xCexCuO4-y. The dynamics of holes in the Cu-O planes is described by the extended Hubbard or Emery model. We consider the system at half-filling (one hole per unit cell, nh=1) and in the case of electron doping where the ground state is paramagnetic. The projection technique of Mori and Zwanzig is applied to derive the equations of motion for the Green's functions of Cu and O holes. These equations are solved self-consistently as in a previous calculation, where we considered the case of hole doping. At half-filling the system exhibits a charge-transfer gap bounded by Zhang-Rice singlet states and the upper Hubbard band. Upon electron doping the upper Hubbard band crosses the Fermi level and the system becomes metallic. With increasing electron doping the singlet band loses intensity and finally vanishes for nh=0. The corresponding spectral weight is transferred to the upper Hubbard band, which becomes a usual tight-binding band for zero hole concentration. The shape of the flat band crossing the Fermi level fits well to angle-resolved photoemission spectra of Nd2-xCexCuO4-y for x=0.15 and 0.22. Furthermore, our findings are in excellent agreement with exact diagonalization studies of 2×2 CuO2 cluster with periodic boundary conditions.

Adsorption of ammonia at GaN(0001) surface in the mixed ammonia/hydrogen ambient - a summary of ab initio data

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

Kempisty, Paweł; Krukowski, Stanisław; Interdisciplinary Centre for Materials Modelling, Warsaw University, Pawińskiego 5a, 02-106 Warsaw

Adsorption of ammonia at NH{sub 3}/NH{sub 2}/H-covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH{sub 3}/NH{sub 2}/H-covered GaN(0001) surface was divided into zones of differently pinned Fermi level: at the Ga broken bond state for dominantly bare surface (region I), at the valence band maximum (VBM) for NH{sub 2} and H-covered surface (region II), and at the conduction band minimum (CBM) for NH{sub 3}-covered surface (region III). The electron counting rule (ECR) extension was formulated for the case of adsorbed molecules. The extensive ab intio calculations show the validity of themore » ECR in case of all mixed H-NH{sub 2}-NH{sub 3} coverages for the determination of the borders between the three regions. The adsorption was analyzed using the recently identified dependence of the adsorption energy on the charge transfer at the surface. For region I ammonia adsorbs dissociatively, disintegrating into a H adatom and a HN{sub 2} radical for a large fraction of vacant sites, while for region II adsorption of ammonia is molecular. The dissociative adsorption energy strongly depends on the Fermi level at the surface (pinned) and in the bulk (unpinned) while the molecular adsorption energy is determined by bonding to surface only, in accordance to the recently published theory. Adsorption of Ammonia in region III (Fermi level pinned at CBM) leads to an unstable configuration both molecular and dissociative, which is explained by the fact that broken Ga-bonds are doubly occupied by electrons. The adsorbing ammonia brings 8 electrons to the surface, necessitating the transfer of these two electrons from the Ga broken bond state to the Fermi level. This is an energetically costly process. Adsorption of ammonia at H-covered site leads to the creation of a NH{sub 2} radical at the surface and escape of H{sub 2} molecule. The process energy is close to 0.12 eV, thus not large, but the direct inverse process is not possible due to the escape of the hydrogen molecule.« less

The investigation of Ce doped ZnO crystal: The electronic, optical and magnetic properties

NASA Astrophysics Data System (ADS)

Wen, Jun-Qing; Zhang, Jian-Min; Qiu, Ze-Gang; Yang, Xu; Li, Zhi-Qin

2018-04-01

The electronic, optical and magnetic properties of Ce doped ZnO crystal have been studied by using first principles method. The research of formation energies show that Ce doped ZnO is energetically stable, and the formation energies reduce from 6.25% to 12.5% for Ce molar percentage. The energy band is still direct band gap after Ce doped, and band gap increases with the increase of Cesbnd Ce distance. The Fermi level moves upward into conduction band and the DOS moves to lower energy with the increase of Ce concentration, which showing the properties of n-type semiconductor. The calculated optical properties imply that Ce doped causes a red-shift of absorption peaks, and enhances the absorption of the visible light. The transition from ferromagnetic to antiferromagnetic has been found in Ce doped ZnO.

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.

Two-level convolution formula for nuclear structure function

NASA Astrophysics Data System (ADS)

Ma, Boqiang

1990-05-01

A two-level convolution formula for the nuclear structure function is derived in considering the nucleus as a composite system of baryon-mesons which are also composite systems of quark-gluons again. The results show that the European Muon Colaboration effect can not be explained by the nuclear effects as nucleon Fermi motion and nuclear binding contributions.

Understanding and Using the Fermi Science Tools

NASA Astrophysics Data System (ADS)

Asercion, Joseph

2018-01-01

The Fermi Science Support Center (FSSC) provides information, documentation, and tools for the analysis of Fermi science data, including both the Large-Area Telescope (LAT) and the Gamma-ray Burst Monitor (GBM). Source and binary versions of the Fermi Science Tools can be downloaded from the FSSC website, and are supported on multiple platforms. An overview document, the Cicerone, provides details of the Fermi mission, the science instruments and their response functions, the science data preparation and analysis process, and interpretation of the results. Analysis Threads and a reference manual available on the FSSC website provide the user with step-by-step instructions for many different types of data analysis: point source analysis - generating maps, spectra, and light curves, pulsar timing analysis, source identification, and the use of python for scripting customized analysis chains. We present an overview of the structure of the Fermi science tools and documentation, and how to acquire them. We also provide examples of standard analyses, including tips and tricks for improving Fermi science analysis.

Interlayer coupling effects on Schottky barrier in the arsenene-graphene van der Waals heterostructures

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

Xia, Congxin, E-mail: xiacongxin@htu.edu.cn; Xue, Bin; Wang, Tianxing

The electronic characteristics of arsenene-graphene van der Waals (vdW) heterostructures are studied by using first-principles methods. The results show that a linear Dirac-like dispersion relation around the Fermi level can be quite well preserved in the vdW heterostructures. Moreover, the p-type Schottky barrier (0.18 eV) to n-type Schottky barrier (0.31 eV) transition occurs when the interlayer distance increases from 2.8 to 4.5 Å, which indicates that the Schottky barrier can be tuned effectively by the interlayer distance in the vdW heterostructures.

The influence of Mg doping on the formation of Ga vacancies and negative ions in GaN bulk crystals

NASA Astrophysics Data System (ADS)

Saarinen, K.; Nissilä, J.; Hautojärvi, P.; Likonen, J.; Suski, T.; Grzegory, I.; Lucznik, B.; Porowski, S.

1999-10-01

Gallium vacancies and negative ions are observed in GaN bulk crystals by applying positron lifetime spectroscopy. The concentration of Ga vacancies decreases with increasing Mg doping, as expected from the behavior of the VGa formation energy as a function of the Fermi level. The concentration of negative ions correlates with that of Mg impurities determined by secondary ion mass spectrometry. We thus attribute the negative ions to MgGa-. The negative charge of Mg suggests that Mg doping converts n-type GaN to semi-insulating mainly due to the electrical compensation of ON+ donors by MgGa- acceptors.

Formation of an incoherent metallic state in Rh-doped Sr2IrO4

NASA Astrophysics Data System (ADS)

Louat, A.; Bert, F.; Serrier-Garcia, L.; Bertran, F.; Le Fèvre, P.; Rault, J.; Brouet, V.

2018-04-01

Sr2IrO4 is the archetype of the spin-orbit Mott insulator, but the nature of the metallic states that may emerge from this type of insulator is still not very well known. We study with angle-resolved photoemission the insulator-to-metal transition observed in Sr2Ir1 -xRhxO4 when Ir is substituted by Rh (0.02 0.07 , is not a Fermi liquid. It is characterized by the absence of quasiparticles, unrenormalized band dispersion compared to calculations, and an ˜30 -meV pseudogap on the entire Fermi surface.

Energetics of intrinsic defects in NiO and the consequences for its resistive random access memory performance

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

Dawson, J. A., E-mail: jad95@cam.ac.uk; Guo, Y.; Robertson, J.

2015-09-21

Energetics for a variety of intrinsic defects in NiO are calculated using state-of-the-art ab initio hybrid density functional theory calculations. At the O-rich limit, Ni vacancies are the lowest cost defect for all Fermi energies within the gap, in agreement with the well-known p-type behaviour of NiO. However, the ability of the metal electrode in a resistive random access memory metal-oxide-metal setup to shift the oxygen chemical potential towards the O-poor limit results in unusual NiO behaviour and O vacancies dominating at lower Fermi energy levels. Calculated band diagrams show that O vacancies in NiO are positively charged at themore » operating Fermi energy giving it the advantage of not requiring a scavenger metal layer to maximise drift. Ni and O interstitials are generally found to be higher in energy than the respective vacancies suggesting that significant recombination of O vacancies and interstitials does not take place as proposed in some models of switching behaviour.« less

Spatially Resolved Quantification of the Surface Reactivity of Solid Catalysts.

PubMed

Huang, Bing; Xiao, Li; Lu, Juntao; Zhuang, Lin

2016-05-17

A new property is reported that accurately quantifies and spatially describes the chemical reactivity of solid surfaces. The core idea is to create a reactivity weight function peaking at the Fermi level, thereby determining a weighted summation of the density of states of a solid surface. When such a weight function is defined as the derivative of the Fermi-Dirac distribution function at a certain non-zero temperature, the resulting property is the finite-temperature chemical softness, termed Fermi softness (SF ), which turns out to be an accurate descriptor of the surface reactivity. The spatial image of SF maps the reactive domain of a heterogeneous surface and even portrays morphological details of the reactive sites. SF analyses reveal that the reactive zones on a Pt3 Y(111) surface are the platinum sites rather than the seemingly active yttrium sites, and the reactivity of the S-dimer edge of MoS2 is spatially anisotropic. Our finding is of fundamental and technological significance to heterogeneous catalysis and industrial processes demanding rational design of solid catalysts. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

First-Principles Momentum Dependent Local Ansatz Approach to the Momentum Distribution Function in Iron-Group Transition Metals

NASA Astrophysics Data System (ADS)

Kakehashi, Yoshiro; Chandra, Sumal

2017-03-01

The momentum distribution function (MDF) bands of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz wavefunction method. It is found that the MDF for d electrons show a strong momentum dependence and a large deviation from the Fermi-Dirac distribution function along high-symmetry lines of the first Brillouin zone, while the sp electrons behave as independent electrons. In particular, the deviation in bcc Fe (fcc Ni) is shown to be enhanced by the narrow eg (t2g) bands with flat dispersion in the vicinity of the Fermi level. Mass enhancement factors (MEF) calculated from the jump on the Fermi surface are also shown to be momentum dependent. Large mass enhancements of Mn and Fe are found to be caused by spin fluctuations due to d electrons, while that for Ni is mainly caused by charge fluctuations. Calculated MEF are consistent with electronic specific heat data as well as recent angle resolved photoemission spectroscopy data.

Non-equilibrium transport in the quantum dot: quench dynamics and non-equilibrium steady state

NASA Astrophysics Data System (ADS)

Culver, Adrian; Andrei, Natan

We calculate the non-equilibrium current driven by a voltage drop across a quantum dot. The system is described by the two lead Anderson model at zero temperature with on-site Coulomb repulsion and non-interacting, linearized leads. We prepare the system in an initial state consisting of a free Fermi sea in each lead with the voltage drop given as the difference between the two Fermi levels. We quench the system by coupling the dot to the leads at t =0 and following the time evolution of the wavefunction. In the long time limit a new type of Bethe Ansatz wavefunction emerges, which satisfies the Lippmann-Schwinger equation with the two Fermi seas serving as the boundary conditions. The solution describes the non-equilibrium steady state of the system. We use this solution to compute the infinite time limit of the expectation value of the current operator at a given voltage, yielding the I-V characteristic. The calculation is non-perturbative and exact. Research supported by NSF Grant DMR 1410583.

Non-equilibrium transport in the quantum dot: quench dynamics and non-equilibrium steady state

NASA Astrophysics Data System (ADS)

Culver, Adrian; Andrei, Natan

We present an exact method of calculating the non-equilibrium current driven by a voltage drop across a quantum dot. The system is described by the two lead Anderson model at zero temperature with on-site Coulomb repulsion and non-interacting, linearized leads. We prepare the system in an initial state consisting of a free Fermi sea in each lead with the voltage drop given as the difference between the two Fermi levels. We quench the system by coupling the dot to the leads at t = 0 and following the time evolution of the wavefunction. In the long time limit a new type of Bethe Ansatz wavefunction emerges, which satisfies the Lippmann-Schwinger equation with the two Fermi seas serving as the boundary conditions. This exact, non-perturbative solution describes the non-equilibrium steady state of the system. We describe how to use this solution to compute the infinite time limit of the expectation value of the current operator at a given voltage, which would yield the I-V characteristic of the dot. Research supported by NSF Grant DMR 1410583.

Effect of high pressure on the electrical resistivity of Ge-Te-In glasses

NASA Astrophysics Data System (ADS)

Prasad, K. N. N.; Varma, G. Sreevidya; Rukmani, K.; Asokan, S.

2015-06-01

The variation in the electrical resistivity of the chalcogenide glasses Ge15Te85-xInx has been studied as a function of high pressure for pressures up to 8.5GPa. All the samples studied undergo a semi-conductor to metallic transition in a continuous manner at pressures between 1.5-2.5GPa. The transition pressure at which the samples turn metallic increases with increase in percentage of Indium. This increase is a direct consequence of the increase in network rigidity with the addition of Indium. At a constant pressure of 0.5GPa, the normalized resistivity shows some signature of the existence of the intermediate phase. Samples recovered after a pressure cycle remain amorphous suggesting that the semi-conductor to metallic transition arises from a reduction of the band gap due to pressure or the movement of the Fermi level into the conduction or valence band.

Nonlocal Poisson-Fermi model for ionic solvent.

PubMed

Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob

2016-07-01

We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-like kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.

Fermi-surface-free superconductivity in underdoped (Bi,Pb)(Sr,La) 2CuO 6+δ (Bi2201)

DOE PAGES

Mistark, Peter; Hafiz, Hasnain; Markiewicz, Robert S.; ...

2015-06-18

Fermi-surface-free superconductivity arises when the superconducting order pulls down spectral weight from a band that is completely above the Fermi energy in the normal state. Here, we show that this can arise in hole-doped cuprates when a competing order causes a reconstruction of the Fermi surface. The change in Fermi surface topology is accompanied by a characteristic rise in the spectral weight. Finally, our results support the presence of a trisected superconducting dome, and suggest that superconductivity is responsible for stabilizing the (π,π) magnetic order at higher doping.

Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires

NASA Astrophysics Data System (ADS)

Li, Yan-Jing; Li, Shu-Long; Gong, Pei; Li, Ya-Lin; Cao, Mao-Sheng; Fang, Xiao-Yong

2018-04-01

The electronic structure and optical properties of the nitrogen and phosphorus doped silicon carbide nanowires (SiCNWs) are investigated using first-principle calculations based on density functional theory. The results show doping can change the type of the band gap and improve the conductivity. However, the doped SiCNWs form a discrete impurity levels at the Fermi energy, and the dispersion degree decreases with the diameter increasing. In order to reveal the root of this phenomenon, we hydrogenated the doped SiCNWs, found that the surface dangling bonds were saturated, and the discrete impurity levels are degeneracy, which indicates that the discrete impurity band of the doped SiCNWs is derived from the dangling bonds. The surface passivation can degenerate the impurity levels. Therefore, both doping and surface passivation can better improve the photoelectric properties of the SiCNWs. The result can provide additional candidates in producing nano-optoelectronic devices.

Fermi-LAT detection of increased gamma-ray activity from the FSRQ PKS 1004-217

NASA Astrophysics Data System (ADS)

Kreter, Michael

2018-03-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed an increasing gamma-ray flux from a source positionally consistent with the flat spectrum radio quasar (FSRQ) PKS 1004-217 (3FGL J1006.7-2159) with coordinates RA: 10h06m46.4136s, DEC: -21d59m20.410s, J2000 (Beasley et al. 2002, ApJS, 141, 13) and redshift z=0.331 (Hewitt & Burbidge 1989, ApJS, 69, 1). Preliminary analysis indicates that on 4 March 2018, this source was in a high-flux state with a daily averaged gamma-ray flux (E > 100MeV) of (0.84+/-0.08) X 10^-6 photons cm^-2 s^-1 (statistical uncertainties only).

Rapid variability of blazar 3C 279 during flaring states in 2013-2014 with joint FERMI-LAT, NuSTAR, SWIFT, and ground-based multi-wavelength observations

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

Hayashida, M.; Nalewajko, K.; Madejski, G. M.

2015-07-02

Here we report the results of a multiband observing campaign on the famous blazar 3C 279 conducted during a phase of increased activity from 2013 December to 2014 April, including first observations of it with NuSTAR. The γ-ray emission of the source measured by Fermi-LAT showed multiple distinct flares reaching the highest flux level measured in this object since the beginning of the Fermi mission, with F(E>100 MeV) of 10 -5 photons cm -2 s -1, and with a flux-doubling time scale as short as 2 hr. The γ-ray spectrum during one of the flares was very hard, with an index of Γ γ =1.7±0.1, which is rarely seen in flat-spectrum radio quasars. The lack of concurrent optical variability implies a very high Compton dominance parameter L γ/L syn > 300. Two 1 day NuSTAR observations with accompanying Swift pointings were separated by 2 weeks, probing different levels of source activity. While the 0.5-70 keV X-ray spectrum obtained during the first pointing, and fitted jointly with Swift-XRT is well-described by a simple power law, the second joint observation showed an unusual spectral structure: the spectrum softens by ΔΓ xmore » $$\\simeq$$ 0.4 at ~ keV. Modeling the broadband spectral energy distribution during this flare with the standard synchrotron plus inverse-Compton model requires: (1) the location of the γ-ray emitting region is comparable with the broad-line region radius, (2) a very hard electron energy distribution index p $$\\simeq$$ 1, (3) total jet power significantly exceeding the accretion-disk luminosity L j/L d ≳ 10, and (4) extremely low jet magnetization with L B/L j ≲ 10 -4. In conclusion, we also find that single-zone models that match the observed γ-ray and optical spectra cannot satisfactorily explain the production of X-ray emission.« less

Bulk Fermi Surface of Charge-Neutral Excitations in SmB_{6} or Not: A Heat-Transport Study.

PubMed

Xu, Y; Cui, S; Dong, J K; Zhao, D; Wu, T; Chen, X H; Sun, Kai; Yao, Hong; Li, S Y

2016-06-17

Recently, there have been increasingly hot debates on whether a bulk Fermi surface of charge-neutral excitations exists in the topological Kondo insulator SmB_{6}. To unambiguously resolve this issue, we perform the low-temperature thermal conductivity measurements of a high-quality SmB_{6} single crystal down to 0.1 K and up to 14.5 T. Our experiments show that the residual linear term of thermal conductivity at the zero field is zero, within the experimental accuracy. Furthermore, the thermal conductivity is insensitive to the magnetic field up to 14.5 T. These results demonstrate the absence of fermionic charge-neutral excitations in bulk SmB_{6}, such as scalar Majorana fermions or spinons and, thus, exclude the existence of a bulk Fermi surface suggested by a recent quantum oscillation study of SmB_{6}. This puts a strong constraint on the explanation of the quantum oscillations observed in SmB_{6}.

Fermi surfaces of the pyrite-type cubic AuSb2 compared with split Fermi surfaces of the ullmannite-type cubic chiral NiSbS and PdBiSe

NASA Astrophysics Data System (ADS)

Nishimura, K.; Kakihana, M.; Nakamura, A.; Aoki, D.; Harima, H.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

We grew high-quality single crystals of AuSb2 with the pyrite (FeS2)-type cubic structure by the Bridgman method and studied the Fermi surface properties by the de Haas-van Alphen (dHvA) experiment and the full potential LAPW band calculation. The Fermi surfaces of AuSb2 are found to be similar to those of NiSbS and PdBiSe with the ullmannite (NiSbS)-type cubic chiral structure because the crystal structures are similar each other and the number of valence electrons is the same between two different compounds. Note that each Fermi surface splits into two Fermi surfaces in NiSbS and PdBiSe, reflecting the non-centrosymmetric crystal structure.

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.

Investigating Possible Outliers in the Fermi Blazar AGN Sample

NASA Astrophysics Data System (ADS)

Shrader, Chris

2018-01-01

The Fermi Gamma-Ray Space Telescope (Fermi) has cataloged over 3000 gamma-ray (>100 MeV) point sources of which more than 1100 are likely AGN. These AGN are predominantly among the radio-loud “blazar” subclass. Recently however, a significant sample of bright (F_15GHz >1.5 Jy), radio selected AGN was found to overlap with Fermi at only the ~80% level (Lister et. al., 2015). This could be a result of some selection bias or it could be due to deficient Doppler boosting among that ~20%. Additionally, a recent survey of high-latitude gamma-ray sources by Schinzel et al. (2017) reveals a sample of ~100 objects which are not detected in the 4-10 GHz radio band to a limiting flux of about 2mJy. This apparent lack of radio flux is puzzling, and may indicate either an extreme Compton-dominated sample, or copious gamma-ray emission from a heretofore unknown population such as a subclass of radio-quiet AGN. Speculatively, these radio-loud/gamma-quiet and gamma-loud/radio quiet samples could be odd cases of the blazar phenomena which reside outside of the well-known blazar sequence. To explore this problem further we have undertaken a study to construct or constrain individual source SEDs as a first step towards their classification. In this contribution we present results from our search for emission in the Swift-BAT 15-100-keV hard X-ray band for each of these samples.

The fermi paradox is neither Fermi's nor a paradox.

PubMed

Gray, Robert H

2015-03-01

The so-called Fermi paradox claims that if technological life existed anywhere else, we would see evidence of its visits to Earth--and since we do not, such life does not exist, or some special explanation is needed. Enrico Fermi, however, never published anything on this topic. On the one occasion he is known to have mentioned it, he asked "Where is everybody?"--apparently suggesting that we do not see extraterrestrials on Earth because interstellar travel may not be feasible, but not suggesting that intelligent extraterrestrial life does not exist or suggesting its absence is paradoxical. The claim "they are not here; therefore they do not exist" was first published by Michael Hart, claiming that interstellar travel and colonization of the Galaxy would be inevitable if intelligent extraterrestrial life existed, and taking its absence here as proof that it does not exist anywhere. The Fermi paradox appears to originate in Hart's argument, not Fermi's question. Clarifying the origin of these ideas is important, because the Fermi paradox is seen by some as an authoritative objection to searching for evidence of extraterrestrial intelligence--cited in the U.S. Congress as a reason for killing NASA's SETI program on one occasion. But evidence indicates that it misrepresents Fermi's views, misappropriates his authority, deprives the actual authors of credit, and is not a valid paradox.

Size- effect induced high thermoelectric figure of merit in PbSe and PbTe nanowires.

PubMed

Wrasse, Ernesto O; Torres, Alberto; Baierle, Rogério J; Fazzio, Adalberto; Schmidt, Tome M

2014-05-07

The fundamental properties that compose the thermoelectric figure of merit are investigated in the confined systems of PbSe and PbTe nanowires, with the goal to improve the thermoelectric efficiency. Using the Landauer electronic transport theory, we verify that the figure of merit can be several times larger than the bulk value for nanowires with diameters down to the one nanometer scale. This enhancement in the thermoelectric efficiency is primarily due to the reduction of the thermal conductivity and an increase in the power factor. The origin of these desireable properties, that enable the transformation of heat into electricity, comes from the confinement effect which increases the density of states around the Fermi level, either for an n- or p-type system.

Work function and temperature dependence of electron tunneling through an N-type perylene diimide molecular junction with isocyanide surface linkers.

PubMed

Smith, Christopher E; Xie, Zuoti; Bâldea, Ioan; Frisbie, C Daniel

2018-01-18

Conducting probe atomic force microscopy (CP-AFM) was employed to examine electron tunneling in self-assembled monolayer (SAM) junctions. A 2.3 nm long perylene tetracarboxylic acid diimide (PDI) acceptor molecule equipped with isocyanide linker groups was synthesized, adsorbed onto Ag, Au and Pt substrates, and the current-voltage (I-V) properties were measured by CP-AFM. The dependence of the low-bias resistance (R) on contact work function indicates that transport is LUMO-assisted ('n-type behavior'). A single-level tunneling model combined with transition voltage spectroscopy (TVS) was employed to analyze the experimental I-V curves and to extract the effective LUMO position ε l = E LUMO - E F and the effective electronic coupling (Γ) between the PDI redox core and the contacts. This analysis revealed a strong Fermi level (E F ) pinning effect in all the junctions, likely due to interface dipoles that significantly increased with increasing contact work function, as revealed by scanning Kelvin probe microscopy (SKPM). Furthermore, the temperature (T) dependence of R was found to be substantial. For Pt/Pt junctions, R varied more than two orders of magnitude in the range 248 K < T < 338 K. Importantly, the R(T) data are consistent with a single step electron tunneling mechanism and allow independent determination of ε l , giving values compatible with estimates of ε l based on analysis of the full I-V data. Theoretical analysis revealed a general criterion to unambiguously rule out a two-step transport mechanism: namely, if measured resistance data exhibit a pronounced Arrhenius-type temperature dependence, a two-step electron transfer scenario should be excluded in cases where the activation energy depends on contact metallurgy. Overall, our results indicate (1) the generality of the Fermi level pinning phenomenon in molecular junctions, (2) the utility of employing the single level tunneling model for determining essential electronic structure parameters (ε l and Γ), and (3) the importance of changing the nature of the contacts to verify transport mechanisms.

Electronic structure in high temperature superconducting oxides

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P.; Solal, F.; Fluss, M. J.; Tobin, J.; Obrien, J.; Radousky, H. B.; Haghighi, H.; Kaiser, J. H.; Rayner, S. L.

1991-08-01

We have performed measurements on entwined single crystals of YBCO using both photoemission and positron angular correlation of annihilation radiation and on single crystals of LSCO using only angular correlation. Fermi surface features in good agreement with band theory were found and identified in all of the measurements. In photoemission, the Fermi momentum was fixed for several points and the band dispersion below the Fermi energy was mapped. In positron angular correlation measurements, the shape of the Fermi surface was mapped for the CuO chains (YBCO) and the CuO planes (LSCO). Demonstration of the existence of Fermi surfaces in the HTSC materials points a direction for future theoretical considerations.

Generalized Thomas-Fermi equations as the Lampariello class of Emden-Fowler equations

NASA Astrophysics Data System (ADS)

Rosu, Haret C.; Mancas, Stefan C.

2017-04-01

A one-parameter family of Emden-Fowler equations defined by Lampariello's parameter p which, upon using Thomas-Fermi boundary conditions, turns into a set of generalized Thomas-Fermi equations comprising the standard Thomas-Fermi equation for p = 1 is studied in this paper. The entire family is shown to be non integrable by reduction to the corresponding Abel equations whose invariants do not satisfy a known integrability condition. We also discuss the equivalent dynamical system of equations for the standard Thomas-Fermi equation and perform its phase-plane analysis. The results of the latter analysis are similar for the whole class.

A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes

NASA Astrophysics Data System (ADS)

Wang, Chang-Ying; Guo, Yong-Liang; Zhao, Yuan-Yuan; Zeng, Guang-Li; Zhang, Wei; Ren, Cui-Lan; Han, Han; Huai, Ping

2018-03-01

Within the framework of density functional theory calculations, the structural, vibrational, and electronic properties of Zr n C n - 1 (n = 2, 3, and 4) and their functionalized MXenes have been investigated. We find that the most stable configurations for Zr-C MXene are the ones that the terminal groups F, O, and OH locate on the common hollow site of the superficial Zr layer and its adjacent C layer. F and OH-terminated Zr 3 C 2 and Zr 4 C 3 have small imaginary acoustic phonon branches around Γ point while the others have no negative phonon modes. The pristine MXenes (Zr 2 C, Zr 3 C 2 and Zr 4 C 3 ) are all metallic with large DOS contributed by the Zr atom at the Fermi energy. When functionalized by F, O and OH, new hybridization states appear and the DOS at the Fermi level are reduced. Moreover, we find that their metallic characteristic increases with an increase in n. For (Zr n C n - 1 )O 2, Zr 2 CO 2 is a semiconductor, Zr 3C2O2 is a semimetal, and Zr 4 C 3O2 becomes a metal. Supported by the National Natural Science Foundation of China under Grant Nos. 11605273, 21571185, U1404111, 11504089, 21501189, 21676291, the Shanghai Municipal Science and Technology Commission 16ZR1443100, the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA02040104)

Gamma-Ray Observations of Tycho’s Supernova Remnant with VERITAS and Fermi

NASA Astrophysics Data System (ADS)

Archambault, S.; Archer, A.; Benbow, W.; Bird, R.; Bourbeau, E.; Buchovecky, M.; Buckley, J. H.; Bugaev, V.; Cerruti, M.; Connolly, M. P.; Cui, W.; Dwarkadas, V. V.; Errando, M.; Falcone, A.; Feng, Q.; Finley, J. P.; Fleischhack, H.; Fortson, L.; Furniss, A.; Griffin, S.; Hütten, M.; Hanna, D.; Holder, J.; Johnson, C. A.; Kaaret, P.; Kar, P.; Kelley-Hoskins, N.; Kertzman, M.; Kieda, D.; Krause, M.; Kumar, S.; Lang, M. J.; Maier, G.; McArthur, S.; McCann, A.; Moriarty, P.; Mukherjee, R.; Nieto, D.; O'Brien, S.; Ong, R. A.; Otte, A. N.; Park, N.; Pohl, M.; Popkow, A.; Pueschel, E.; Quinn, J.; Ragan, K.; Reynolds, P. T.; Richards, G. T.; Roache, E.; Sadeh, I.; Santander, M.; Sembroski, G. H.; Shahinyan, K.; Slane, P.; Staszak, D.; Telezhinsky, I.; Trepanier, S.; Tyler, J.; Wakely, S. P.; Weinstein, A.; Weisgarber, T.; Wilcox, P.; Wilhelm, A.; Williams, D. A.; Zitzer, B.

2017-02-01

High-energy gamma-ray emission from supernova remnants (SNRs) has provided a unique perspective for studies of Galactic cosmic-ray acceleration. Tycho’s SNR is a particularly good target because it is a young, type Ia SNR that has been well-studied over a wide range of energies and located in a relatively clean environment. Since the detection of gamma-ray emission from Tycho’s SNR by VERITAS and Fermi-LAT, there have been several theoretical models proposed to explain its broadband emission and high-energy morphology. We report on an update to the gamma-ray measurements of Tycho’s SNR with 147 hr of VERITAS and 84 months of Fermi-LAT observations, which represent about a factor of two increase in exposure over previously published data. About half of the VERITAS data benefited from a camera upgrade, which has made it possible to extend the TeV measurements toward lower energies. The TeV spectral index measured by VERITAS is consistent with previous results, but the expanded energy range softens a straight power-law fit. At energies higher than 400 GeV, the power-law index is 2.92 ± 0.42stat ± 0.20sys. It is also softer than the spectral index in the GeV energy range, 2.14 ± 0.09stat ± 0.02sys, measured in this study using Fermi-LAT data. The centroid position of the gamma-ray emission is coincident with the center of the remnant, as well as with the centroid measurement of Fermi-LAT above 1 GeV. The results are consistent with an SNR shell origin of the emission, as many models assume. The updated spectrum points to a lower maximum particle energy than has been suggested previously.

Optical determination of charge transfer times from indoline dyes to ZnO in solid state dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Meyenburg, I.; Hofeditz, N.; Ruess, R.; Rudolph, M.; Schlettwein, D.; Heimbrodt, W.

2018-05-01

We studied the electron transfer at the interface of organic-inorganic hybrids consisting of indoline derivatives (D149 and D131) on ZnO substrates using a new optical method. We revealed the electron transfer times from the excited dye, e.g. the excitons formed in the dye aggregates to the ZnO substrate by analyzing the photoluminescence transients of the excitons after femtosecond excitation and applying kinetic model calculations. We reveal the changes of the electron transfer times by applying electrical bias. Pushing the Fermi energy of the ZnO substrate towards the excited dye level the transfer time gets longer and eventually the electron transfer is suppressed. The level alignment between the excited dye state and the ZnO Fermi-level is estimated. The excited state of D131 is about 100 meV higher than the respective state of D149 compared to the ZnO conduction band. This leads to shorter electron transfer times and eventually to higher quantum efficiencies of the solar cells.

Calculation of the X-Ray emission K and L 2,3 bands of metallic magnesium and aluminum with allowance for multielectron effects

NASA Astrophysics Data System (ADS)

Ovcharenko, R. E.; Tupitsyn, I. I.; Savinov, E. P.; Voloshina, E. N.; Dedkov, Yu. S.; Shulakov, A. S.

2014-01-01

A procedure is proposed to calculate the shape of the characteristic X-ray emission bands of metals with allowance for multielectron effects. The effects of the dynamic screening of a core vacancy by conduction electrons and the Auger effect in the valence band are taken into account. The dynamic screening of a core vacancy, which is known to be called the MND (Mahan-Nozeieres-De Dominics) effect, is taken into account by an ab initio band calculation of crystals using the PAW (projected augmented waves) method. The Auger effect is taken into account by a semiempirical method using the approximation of a quadratic dependence of the level width in the valence band on the difference between the level energy and the Fermi energy. The proposed calculation procedure is used to describe the X-ray emission K and L 2,3 bands of metallic magnesium and aluminum crystals. The calculated spectra agree well with the experimental bands both near the Fermi level and in the low-energy part of the spectra in all cases.

The overdoped region of the high Tc superconducting Bi2212 revisited

NASA Astrophysics Data System (ADS)

Zaki, N.; Yang, H.-B.; Rameau, J. D.; Johnson, P. D.; Claus, H.; Hinks, D. G.

High-resolution angle-resolved photoemission (ARPES) is used to probe the temperature dependence of the gaps observed in the antinodal region of the Fermi surface (FS) in overdoped Bi2212. In particular we study samples with doping levels greater than 0.19, the latter having previously been determined to be the doping level associated with a Fermi surface reconstruction. Careful simulation of the measured ARPES spectra indicates that any gap observed in this region of the FS at these doping levels is a reflection of the range of superconducting gaps associated with inhomogeneities observed in STM studies of the same systems. With this observation we are able to reexamine the phase diagram associated with the Bi2212 system and discuss the origin of the pseudogap associated with the underdoped region. This work is supported in part by the Center for Emergent Superconductivity (CES), an EFRC funded by the U.S. DOE. The work is also supported in part by the U.S. DOE under Contract No. DE-AC02- 98CH10886 at BNL and Contract No. DE-AC02-06CH11357 at ANL.

Uniform and perfectly linear current-voltage characteristics of nitrogen-doped armchair graphene nanoribbons for nanowires.

PubMed

Liu, Lingling; Li, Xiao-Fei; Yan, Qing; Li, Qin-Kun; Zhang, Xiang-Hua; Deng, Mingsen; Qiu, Qi; Luo, Yi

2016-12-21

Metallic nanowires with desired properties for molecular integrated circuits (MICs) are especially significant in molectronics, but preparing such wires at a molecular level still remains challenging. Here, we propose, from first principles calculations, experimentally realizable edge-nitrogen-doped graphene nanoribbons (N-GNRs) as promising candidates for nanowires. Our results show that edge N-doping has distinct effects on the electronic structures and transport properties of the armchair GNRs and zigzag GNRs (AGNRs, ZGNRs), due to the formation of pyridazine and pyrazole rings at the edges. The pyridazine rings raise the Fermi level and introduce delocalized energy bands near the Fermi level, resulting in a highly enhanced conductance in N-AGNRs at the stable nonmagnetic ground state. Especially for the family of AGNRs with widths of n = 3p + 2, their semiconducting characteristics are transformed to metallic characteristics via N-doping, and they exhibit perfectly linear current-voltage (I-V) behaviors. Such uniform and excellent features indicate bright application prospects of the N-AGNRs as nanowires and electrodes in molectronics.

Probing topological Fermi-Arcs and bulk boundary correspondence in the Weyl semimetal TaAs

NASA Astrophysics Data System (ADS)

Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim

The relation between surface Fermi-arcs and bulk Weyl cones in a Weyl semimetal, uniquely allows to study the notion of bulk to surface correspondence. We visualize these topological Fermi arc states on the surface of the Weyl semi-metal tantalum arsenide using scanning tunneling spectroscopy. Its surface hosts 12 Fermi arcs amongst several other surface bands of non-topological origin. We detect the possible scattering processes of surface bands in which Fermi arcs are involved including intra- and inter arc scatterings and arc-trivial scatterings. Each of the measured scattering processes entails additional information on the unique nature of Fermi arcs in tantalum arsenide: their contour, their energy-momentum dispersion and its relation with the bulk Weyl nodes. We further identify a sharp distinction between the wave function's spatial distribution of topological versus trivial bands. The non-topological surface bands, which are derived from the arsenic dangling bonds, are tightly bound to the arsenic termination layer. In contrast, the Fermi-arc bands reside on the deeper tantalum layer, penetrating into the bulk, which is predominantly derived from tantalum orbitals.

The Master Equation for Two-Level Accelerated Systems at Finite Temperature

NASA Astrophysics Data System (ADS)

Tomazelli, J. L.; Cunha, R. O.

2016-10-01

In this work, we study the behaviour of two weakly coupled quantum systems, described by a separable density operator; one of them is a single oscillator, representing a microscopic system, while the other is a set of oscillators which perform the role of a reservoir in thermal equilibrium. From the Liouville-Von Neumann equation for the reduced density operator, we devise the master equation that governs the evolution of the microscopic system, incorporating the effects of temperature via Thermofield Dynamics formalism by suitably redefining the vacuum of the macroscopic system. As applications, we initially investigate the behaviour of a Fermi oscillator in the presence of a heat bath consisting of a set of Fermi oscillators and that of an atomic two-level system interacting with a scalar radiation field, considered as a reservoir, by constructing the corresponding master equation which governs the time evolution of both sub-systems at finite temperature. Finally, we calculate the energy variation rates for the atom and the field, as well as the atomic population levels, both in the inertial case and at constant proper acceleration, considering the two-level system as a prototype of an Unruh detector, for admissible couplings of the radiation field.

High doping effect on the thermoelectric properties of p-type lead telluride

NASA Astrophysics Data System (ADS)

Dmitriev, A. V.

2018-04-01

We study theoretically the effect of heavy doping on the thermoelectric properties of p-type PbTe in the acceptor doping interval of 5 × 1019 to 4 × 1020 cm-3 and in the temperature range of 300 to 900 K. In our calculations, a three-band model of the PbTe electron energy spectrum is used that takes into account not only the light electron and hole bands but also the heavy-hole band. This so-called Σ-band plays an important role in the emergence of the figure-of-merit increase in this material at heavy acceptor doping. The calculated thermoelectric characteristics appear to be sensitive to the doping level. An increase in the figure-of-merit up to ZT ≈ 1.3 at 900 K was found at the doping level of 2 × 1020 cm-3. The maximum of ZT on the temperature axis is situated close to the temperature at which the light hole and heavy hole band edges coincide and hence, a prominent density-of-states singularity appears in the valence band, and the Fermi level lies near this singularity.